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/cln3-1b7becdb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cln3-1b7becdb/inputs/seq.fa: 1
curr_seq: _AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/cln3-1b7becdb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cln3-1b7becdb/inputs/seq.fa: 1
curr_seq: _AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/cln3-1b7becdb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cln3-1b7becdb/inputs/seq.fa: 1
curr_seq: _AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/cln3-1b7becdb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cln3-1b7becdb/inputs/seq.fa: 1
curr_seq: _AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/cln3-1b7becdb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cln3-1b7becdb/inputs/seq.fa: 1
curr_seq: _AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/cln3-1b7becdb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cln3-1b7becdb/inputs/seq.fa: 1
curr_seq: _AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/cln3-1b7becdb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cln3-1b7becdb/inputs/seq.fa: 1
curr_seq: _AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/cln3-1b7becdb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cln3-1b7becdb/inputs/seq.fa: 1
curr_seq: _AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/cln3-1b7becdb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cln3-1b7becdb/inputs/seq.fa: 1
curr_seq: _AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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/cln3-1b7becdb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cln3-1b7becdb/inputs/seq.fa: 1
curr_seq: _AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCAGGCUGGAUGGUAGCUCGGUCGGGGUGGGUGGGUUGGCAAGUCUG
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 48 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: 245
n_atoms_counter: 245
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 48.000000 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: -193.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.489777 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -193.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.489777 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -193.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.489777 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -193.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.489777 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -193.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.489777 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -193.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.489777 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -193.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.489777 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -193.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.489777 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -193.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.489777 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -193.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.489777 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -187.165656
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -21.135
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -289.504030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.504030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.504030 (E_RNA)
where:
Base-Base interactions energy: -142.935
where: short stacking energy: -137.820
Base-Backbone interact. energy: -0.012
local terms energy: -146.557132
where:
bonds (distance) C4'-P energy: -31.162
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -26.024
tors. eta vs tors. theta energy: -25.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -290.574359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.574359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.574359 (E_RNA)
where:
Base-Base interactions energy: -141.624
where: short stacking energy: -141.624
Base-Backbone interact. energy: -0.106
local terms energy: -148.843852
where:
bonds (distance) C4'-P energy: -31.771
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -32.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -284.239633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.239633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.239633 (E_RNA)
where:
Base-Base interactions energy: -153.381
where: short stacking energy: -115.633
Base-Backbone interact. energy: 0.160
local terms energy: -131.018741
where:
bonds (distance) C4'-P energy: -27.533
bonds (distance) P-C4' energy: -31.646
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -324.133826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.133826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.133826 (E_RNA)
where:
Base-Base interactions energy: -190.573
where: short stacking energy: -125.607
Base-Backbone interact. energy: -0.338
local terms energy: -133.222990
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -28.891
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -27.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -233.237919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.237919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.237919 (E_RNA)
where:
Base-Base interactions energy: -101.216
where: short stacking energy: -99.053
Base-Backbone interact. energy: -0.206
local terms energy: -131.815875
where:
bonds (distance) C4'-P energy: -23.010
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -32.380
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -22.177
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -219.409188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.409188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.409188 (E_RNA)
where:
Base-Base interactions energy: -101.086
where: short stacking energy: -99.843
Base-Backbone interact. energy: 0.151
local terms energy: -118.474126
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -34.537
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -13.173
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -196.579648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.579648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.579648 (E_RNA)
where:
Base-Base interactions energy: -93.661
where: short stacking energy: -78.857
Base-Backbone interact. energy: -0.608
local terms energy: -102.310947
where:
bonds (distance) C4'-P energy: -31.302
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -26.630
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -1.867
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -192.511393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.511393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.511393 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -186.187272
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -20.902
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -192.511393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.511393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.511393 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -186.187272
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -20.902
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -192.511393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.511393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.511393 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.000
local terms energy: -186.187272
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -20.902
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -301.427633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.427633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.427633 (E_RNA)
where:
Base-Base interactions energy: -149.239
where: short stacking energy: -122.841
Base-Backbone interact. energy: -0.094
local terms energy: -152.094031
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -33.115
flat angles C4'-P-C4' energy: -36.426
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -29.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -361.548589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.548589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.548589 (E_RNA)
where:
Base-Base interactions energy: -206.408
where: short stacking energy: -134.532
Base-Backbone interact. energy: -0.338
local terms energy: -154.801969
where:
bonds (distance) C4'-P energy: -32.635
bonds (distance) P-C4' energy: -31.573
flat angles C4'-P-C4' energy: -37.325
flat angles P-C4'-P energy: -21.024
tors. eta vs tors. theta energy: -32.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -259.867692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.867692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.867692 (E_RNA)
where:
Base-Base interactions energy: -113.402
where: short stacking energy: -102.875
Base-Backbone interact. energy: -0.075
local terms energy: -146.390251
where:
bonds (distance) C4'-P energy: -30.738
bonds (distance) P-C4' energy: -36.085
flat angles C4'-P-C4' energy: -34.121
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -26.947
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -339.439868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.439868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.439868 (E_RNA)
where:
Base-Base interactions energy: -209.744
where: short stacking energy: -111.761
Base-Backbone interact. energy: -0.237
local terms energy: -129.459048
where:
bonds (distance) C4'-P energy: -28.706
bonds (distance) P-C4' energy: -27.609
flat angles C4'-P-C4' energy: -33.204
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -24.388
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -298.071808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.071808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.071808 (E_RNA)
where:
Base-Base interactions energy: -177.243
where: short stacking energy: -96.329
Base-Backbone interact. energy: -0.320
local terms energy: -120.508899
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -19.823
tors. eta vs tors. theta energy: -15.687
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -203.158217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.158217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.158217 (E_RNA)
where:
Base-Base interactions energy: -91.381
where: short stacking energy: -78.671
Base-Backbone interact. energy: 0.447
local terms energy: -112.224542
where:
bonds (distance) C4'-P energy: -28.872
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -29.348
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -9.125
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -198.290046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.290046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.290046 (E_RNA)
where:
Base-Base interactions energy: -96.796
where: short stacking energy: -70.941
Base-Backbone interact. energy: -1.516
local terms energy: -99.978178
where:
bonds (distance) C4'-P energy: -28.880
bonds (distance) P-C4' energy: -34.705
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -176.386224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.386224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.386224 (E_RNA)
where:
Base-Base interactions energy: -72.742
where: short stacking energy: -59.981
Base-Backbone interact. energy: 0.079
local terms energy: -103.723721
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -26.688
flat angles P-C4'-P energy: -18.450
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -161.406881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.406881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.406881 (E_RNA)
where:
Base-Base interactions energy: -71.237
where: short stacking energy: -57.156
Base-Backbone interact. energy: -0.340
local terms energy: -89.830708
where:
bonds (distance) C4'-P energy: -25.160
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: 2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -161.557615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.557615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.557615 (E_RNA)
where:
Base-Base interactions energy: -61.394
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.597
local terms energy: -99.566407
where:
bonds (distance) C4'-P energy: -26.046
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -32.706
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -379.152019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.152019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.152019 (E_RNA)
where:
Base-Base interactions energy: -216.451
where: short stacking energy: -149.113
Base-Backbone interact. energy: -0.118
local terms energy: -162.583107
where:
bonds (distance) C4'-P energy: -34.063
bonds (distance) P-C4' energy: -34.584
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -38.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -368.194650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.194650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.194650 (E_RNA)
where:
Base-Base interactions energy: -208.002
where: short stacking energy: -133.666
Base-Backbone interact. energy: -1.172
local terms energy: -159.021176
where:
bonds (distance) C4'-P energy: -36.970
bonds (distance) P-C4' energy: -38.066
flat angles C4'-P-C4' energy: -33.932
flat angles P-C4'-P energy: -20.374
tors. eta vs tors. theta energy: -29.680
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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -365.209873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.209873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.209873 (E_RNA)
where:
Base-Base interactions energy: -220.134
where: short stacking energy: -124.484
Base-Backbone interact. energy: 1.463
local terms energy: -146.539253
where:
bonds (distance) C4'-P energy: -35.030
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -32.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -256.902150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.902150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.902150 (E_RNA)
where:
Base-Base interactions energy: -131.419
where: short stacking energy: -91.153
Base-Backbone interact. energy: 0.806
local terms energy: -126.289700
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -30.982
flat angles C4'-P-C4' energy: -37.122
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -298.417977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.417977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.417977 (E_RNA)
where:
Base-Base interactions energy: -173.557
where: short stacking energy: -112.071
Base-Backbone interact. energy: -0.171
local terms energy: -124.689739
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -28.345
flat angles C4'-P-C4' energy: -28.633
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -26.075
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: 4
Temperature: 1.150000
Total energy: -221.715947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.715947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.715947 (E_RNA)
where:
Base-Base interactions energy: -108.787
where: short stacking energy: -98.117
Base-Backbone interact. energy: -0.431
local terms energy: -112.497722
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -26.997
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -15.899
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: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -194.430640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.430640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.430640 (E_RNA)
where:
Base-Base interactions energy: -84.540
where: short stacking energy: -68.988
Base-Backbone interact. energy: -0.529
local terms energy: -109.362169
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -35.906
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -3.082
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -188.210273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.210273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.210273 (E_RNA)
where:
Base-Base interactions energy: -83.967
where: short stacking energy: -71.791
Base-Backbone interact. energy: -0.652
local terms energy: -103.590550
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -31.125
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -7.319
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -202.863380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.863380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.863380 (E_RNA)
where:
Base-Base interactions energy: -104.928
where: short stacking energy: -60.735
Base-Backbone interact. energy: 3.304
local terms energy: -101.238967
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -28.419
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -169.040956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.040956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.040956 (E_RNA)
where:
Base-Base interactions energy: -64.535
where: short stacking energy: -57.784
Base-Backbone interact. energy: -0.580
local terms energy: -103.925663
where:
bonds (distance) C4'-P energy: -32.039
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -440.607546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.607546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.607546 (E_RNA)
where:
Base-Base interactions energy: -285.316
where: short stacking energy: -150.652
Base-Backbone interact. energy: -0.833
local terms energy: -154.458517
where:
bonds (distance) C4'-P energy: -27.670
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -33.495
flat angles P-C4'-P energy: -23.071
tors. eta vs tors. theta energy: -36.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -376.113310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.113310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.113310 (E_RNA)
where:
Base-Base interactions energy: -227.968
where: short stacking energy: -137.648
Base-Backbone interact. energy: 0.681
local terms energy: -148.826478
where:
bonds (distance) C4'-P energy: -31.745
bonds (distance) P-C4' energy: -26.165
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -28.108
tors. eta vs tors. theta energy: -31.598
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: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -389.942089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.942089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.942089 (E_RNA)
where:
Base-Base interactions energy: -234.640
where: short stacking energy: -139.103
Base-Backbone interact. energy: -0.626
local terms energy: -154.676091
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -36.176
flat angles P-C4'-P energy: -24.586
tors. eta vs tors. theta energy: -34.281
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: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -342.075399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.075399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.075399 (E_RNA)
where:
Base-Base interactions energy: -204.110
where: short stacking energy: -113.091
Base-Backbone interact. energy: 1.084
local terms energy: -139.049574
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -31.504
flat angles P-C4'-P energy: -20.680
tors. eta vs tors. theta energy: -29.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -279.066968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.066968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.066968 (E_RNA)
where:
Base-Base interactions energy: -172.432
where: short stacking energy: -98.651
Base-Backbone interact. energy: -1.148
local terms energy: -105.486501
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -29.366
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -11.994
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: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -259.449362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.449362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.449362 (E_RNA)
where:
Base-Base interactions energy: -139.879
where: short stacking energy: -79.528
Base-Backbone interact. energy: -0.558
local terms energy: -119.012312
where:
bonds (distance) C4'-P energy: -31.501
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -20.080
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -223.237283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.237283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.237283 (E_RNA)
where:
Base-Base interactions energy: -115.832
where: short stacking energy: -100.673
Base-Backbone interact. energy: -0.073
local terms energy: -107.332268
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -273.888931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.888931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.888931 (E_RNA)
where:
Base-Base interactions energy: -162.985
where: short stacking energy: -95.382
Base-Backbone interact. energy: 5.785
local terms energy: -116.688564
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -31.302
flat angles C4'-P-C4' energy: -32.221
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -15.156
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: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -187.174801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.174801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.174801 (E_RNA)
where:
Base-Base interactions energy: -83.245
where: short stacking energy: -75.700
Base-Backbone interact. energy: -0.346
local terms energy: -103.584331
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -29.842
flat angles C4'-P-C4' energy: -24.778
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -158.742279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.742279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.742279 (E_RNA)
where:
Base-Base interactions energy: -68.660
where: short stacking energy: -62.197
Base-Backbone interact. energy: -0.781
local terms energy: -89.300986
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -12.147
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: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -476.203760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.203760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.203760 (E_RNA)
where:
Base-Base interactions energy: -321.194
where: short stacking energy: -151.983
Base-Backbone interact. energy: 0.519
local terms energy: -155.528488
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -33.409
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -32.514
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: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -380.867096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.867096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.867096 (E_RNA)
where:
Base-Base interactions energy: -224.484
where: short stacking energy: -129.984
Base-Backbone interact. energy: -1.518
local terms energy: -154.865273
where:
bonds (distance) C4'-P energy: -34.916
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -29.930
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -35.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -397.450183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.450183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.450183 (E_RNA)
where:
Base-Base interactions energy: -245.821
where: short stacking energy: -154.815
Base-Backbone interact. energy: 0.520
local terms energy: -152.148551
where:
bonds (distance) C4'-P energy: -24.062
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: -35.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -339.965410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.965410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.965410 (E_RNA)
where:
Base-Base interactions energy: -210.731
where: short stacking energy: -103.804
Base-Backbone interact. energy: -1.088
local terms energy: -128.146055
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -28.994
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -20.467
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: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -319.030176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.030176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.030176 (E_RNA)
where:
Base-Base interactions energy: -189.640
where: short stacking energy: -116.469
Base-Backbone interact. energy: 0.486
local terms energy: -129.876419
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -32.759
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -253.543071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.543071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.543071 (E_RNA)
where:
Base-Base interactions energy: -145.516
where: short stacking energy: -84.638
Base-Backbone interact. energy: 0.101
local terms energy: -108.128153
where:
bonds (distance) C4'-P energy: -29.778
bonds (distance) P-C4' energy: -33.139
flat angles C4'-P-C4' energy: -27.200
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -270.110743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.110743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.110743 (E_RNA)
where:
Base-Base interactions energy: -168.206
where: short stacking energy: -96.092
Base-Backbone interact. energy: -1.520
local terms energy: -100.384763
where:
bonds (distance) C4'-P energy: -28.777
bonds (distance) P-C4' energy: -31.336
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -10.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -202.265659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.265659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.265659 (E_RNA)
where:
Base-Base interactions energy: -89.584
where: short stacking energy: -71.958
Base-Backbone interact. energy: -0.288
local terms energy: -112.393607
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -27.704
flat angles C4'-P-C4' energy: -29.703
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -11.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -179.657588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.657588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.657588 (E_RNA)
where:
Base-Base interactions energy: -77.656
where: short stacking energy: -77.656
Base-Backbone interact. energy: 1.085
local terms energy: -103.087045
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -163.004851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.004851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.004851 (E_RNA)
where:
Base-Base interactions energy: -69.412
where: short stacking energy: -64.517
Base-Backbone interact. energy: -0.198
local terms energy: -93.394034
where:
bonds (distance) C4'-P energy: -33.902
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -9.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -485.493827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.493827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.493827 (E_RNA)
where:
Base-Base interactions energy: -305.924
where: short stacking energy: -155.424
Base-Backbone interact. energy: -0.713
local terms energy: -178.856301
where:
bonds (distance) C4'-P energy: -37.243
bonds (distance) P-C4' energy: -35.327
flat angles C4'-P-C4' energy: -38.137
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -42.342
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: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -395.713756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.713756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.713756 (E_RNA)
where:
Base-Base interactions energy: -242.930
where: short stacking energy: -148.269
Base-Backbone interact. energy: -0.022
local terms energy: -152.761202
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -35.453
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -21.850
tors. eta vs tors. theta energy: -36.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -406.647791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.647791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.647791 (E_RNA)
where:
Base-Base interactions energy: -253.547
where: short stacking energy: -133.780
Base-Backbone interact. energy: -0.484
local terms energy: -152.616822
where:
bonds (distance) C4'-P energy: -35.816
bonds (distance) P-C4' energy: -34.984
flat angles C4'-P-C4' energy: -28.059
flat angles P-C4'-P energy: -24.307
tors. eta vs tors. theta energy: -29.451
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: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -389.767526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.767526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.767526 (E_RNA)
where:
Base-Base interactions energy: -247.923
where: short stacking energy: -123.336
Base-Backbone interact. energy: -0.900
local terms energy: -140.944101
where:
bonds (distance) C4'-P energy: -29.982
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: -30.777
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: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -328.926939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.926939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.926939 (E_RNA)
where:
Base-Base interactions energy: -193.678
where: short stacking energy: -104.852
Base-Backbone interact. energy: -0.434
local terms energy: -134.814931
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -29.000
flat angles C4'-P-C4' energy: -30.989
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -365.287046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.287046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.287046 (E_RNA)
where:
Base-Base interactions energy: -217.403
where: short stacking energy: -124.358
Base-Backbone interact. energy: -0.859
local terms energy: -147.024964
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -31.140
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -27.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -244.037244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.037244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.037244 (E_RNA)
where:
Base-Base interactions energy: -134.355
where: short stacking energy: -82.778
Base-Backbone interact. energy: -0.528
local terms energy: -109.154524
where:
bonds (distance) C4'-P energy: -25.781
bonds (distance) P-C4' energy: -32.487
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -10.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -179.856882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.856882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.856882 (E_RNA)
where:
Base-Base interactions energy: -74.441
where: short stacking energy: -73.877
Base-Backbone interact. energy: 1.593
local terms energy: -107.009519
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -30.357
flat angles C4'-P-C4' energy: -26.561
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -187.527772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.527772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.527772 (E_RNA)
where:
Base-Base interactions energy: -82.111
where: short stacking energy: -77.483
Base-Backbone interact. energy: -0.242
local terms energy: -105.174771
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -30.764
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -10.790
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: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -161.716997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.716997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.716997 (E_RNA)
where:
Base-Base interactions energy: -66.511
where: short stacking energy: -62.576
Base-Backbone interact. energy: -0.496
local terms energy: -94.709569
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -13.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -476.747473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.747473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.747473 (E_RNA)
where:
Base-Base interactions energy: -312.914
where: short stacking energy: -161.365
Base-Backbone interact. energy: -0.258
local terms energy: -163.574965
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -36.340
flat angles P-C4'-P energy: -25.226
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: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -455.073715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.073715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.073715 (E_RNA)
where:
Base-Base interactions energy: -284.678
where: short stacking energy: -163.528
Base-Backbone interact. energy: -1.606
local terms energy: -168.789532
where:
bonds (distance) C4'-P energy: -30.748
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -36.786
flat angles P-C4'-P energy: -25.127
tors. eta vs tors. theta energy: -46.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -460.631496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.631496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.631496 (E_RNA)
where:
Base-Base interactions energy: -310.501
where: short stacking energy: -164.326
Base-Backbone interact. energy: 0.677
local terms energy: -150.807561
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -28.851
flat angles C4'-P-C4' energy: -38.503
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -41.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -400.181042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.181042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.181042 (E_RNA)
where:
Base-Base interactions energy: -243.233
where: short stacking energy: -119.758
Base-Backbone interact. energy: -0.301
local terms energy: -156.647190
where:
bonds (distance) C4'-P energy: -30.546
bonds (distance) P-C4' energy: -38.202
flat angles C4'-P-C4' energy: -33.603
flat angles P-C4'-P energy: -20.719
tors. eta vs tors. theta energy: -33.578
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: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -384.602331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.602331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.602331 (E_RNA)
where:
Base-Base interactions energy: -238.868
where: short stacking energy: -139.050
Base-Backbone interact. energy: -0.535
local terms energy: -145.199470
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -33.424
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: -38.841
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: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -288.455045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.455045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.455045 (E_RNA)
where:
Base-Base interactions energy: -155.282
where: short stacking energy: -93.433
Base-Backbone interact. energy: -1.171
local terms energy: -132.002506
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -31.449
flat angles P-C4'-P energy: -20.668
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: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -205.065028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.065028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.065028 (E_RNA)
where:
Base-Base interactions energy: -91.125
where: short stacking energy: -85.942
Base-Backbone interact. energy: 1.784
local terms energy: -115.723318
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -24.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -193.631037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.631037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.631037 (E_RNA)
where:
Base-Base interactions energy: -98.512
where: short stacking energy: -73.162
Base-Backbone interact. energy: -1.509
local terms energy: -93.610340
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -30.066
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -166.231136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.231136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.231136 (E_RNA)
where:
Base-Base interactions energy: -66.532
where: short stacking energy: -48.158
Base-Backbone interact. energy: -1.000
local terms energy: -98.698929
where:
bonds (distance) C4'-P energy: -25.859
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -29.164
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -2.978
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: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -166.744969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.744969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.744969 (E_RNA)
where:
Base-Base interactions energy: -70.259
where: short stacking energy: -70.759
Base-Backbone interact. energy: -2.126
local terms energy: -94.359477
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -30.458
flat angles C4'-P-C4' energy: -24.864
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -488.723728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.723728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.723728 (E_RNA)
where:
Base-Base interactions energy: -317.000
where: short stacking energy: -149.622
Base-Backbone interact. energy: -1.266
local terms energy: -170.457391
where:
bonds (distance) C4'-P energy: -30.744
bonds (distance) P-C4' energy: -33.893
flat angles C4'-P-C4' energy: -34.665
flat angles P-C4'-P energy: -27.485
tors. eta vs tors. theta energy: -43.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -466.574972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.574972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.574972 (E_RNA)
where:
Base-Base interactions energy: -307.003
where: short stacking energy: -153.885
Base-Backbone interact. energy: -0.538
local terms energy: -159.033930
where:
bonds (distance) C4'-P energy: -30.016
bonds (distance) P-C4' energy: -30.079
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -40.193
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: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -450.222567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.222567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.222567 (E_RNA)
where:
Base-Base interactions energy: -294.530
where: short stacking energy: -157.628
Base-Backbone interact. energy: -0.391
local terms energy: -155.302022
where:
bonds (distance) C4'-P energy: -27.783
bonds (distance) P-C4' energy: -28.783
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: -42.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -391.076175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.076175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.076175 (E_RNA)
where:
Base-Base interactions energy: -263.378
where: short stacking energy: -139.939
Base-Backbone interact. energy: -2.486
local terms energy: -125.211379
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -28.340
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: 10
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -376.813205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.813205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.813205 (E_RNA)
where:
Base-Base interactions energy: -233.398
where: short stacking energy: -125.146
Base-Backbone interact. energy: -0.415
local terms energy: -142.999927
where:
bonds (distance) C4'-P energy: -28.633
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -31.701
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: 6, replica: 2
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -325.214020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.214020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.214020 (E_RNA)
where:
Base-Base interactions energy: -191.781
where: short stacking energy: -108.033
Base-Backbone interact. energy: 0.303
local terms energy: -133.736219
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -29.520
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -23.759
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: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -196.478520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.478520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.478520 (E_RNA)
where:
Base-Base interactions energy: -95.095
where: short stacking energy: -69.342
Base-Backbone interact. energy: -0.165
local terms energy: -101.218922
where:
bonds (distance) C4'-P energy: -25.417
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -188.474772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.474772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.474772 (E_RNA)
where:
Base-Base interactions energy: -88.981
where: short stacking energy: -59.370
Base-Backbone interact. energy: -1.569
local terms energy: -97.925426
where:
bonds (distance) C4'-P energy: -28.941
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -25.237
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -1.555
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: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -169.273578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.273578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.273578 (E_RNA)
where:
Base-Base interactions energy: -54.687
where: short stacking energy: -50.232
Base-Backbone interact. energy: 1.052
local terms energy: -115.639115
where:
bonds (distance) C4'-P energy: -29.076
bonds (distance) P-C4' energy: -30.176
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -9.944
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: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -165.672161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.672161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.672161 (E_RNA)
where:
Base-Base interactions energy: -77.261
where: short stacking energy: -57.540
Base-Backbone interact. energy: -0.834
local terms energy: -87.577867
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -484.588534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.588534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.588534 (E_RNA)
where:
Base-Base interactions energy: -327.355
where: short stacking energy: -147.224
Base-Backbone interact. energy: 1.525
local terms energy: -158.757670
where:
bonds (distance) C4'-P energy: -32.506
bonds (distance) P-C4' energy: -34.446
flat angles C4'-P-C4' energy: -35.194
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -34.514
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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -457.282153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.282153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.282153 (E_RNA)
where:
Base-Base interactions energy: -302.184
where: short stacking energy: -160.956
Base-Backbone interact. energy: -0.763
local terms energy: -154.335652
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -35.328
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -37.876
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: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -448.318724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.318724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.318724 (E_RNA)
where:
Base-Base interactions energy: -301.992
where: short stacking energy: -163.001
Base-Backbone interact. energy: -0.787
local terms energy: -145.539529
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -30.940
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -42.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -436.423159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.423159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.423159 (E_RNA)
where:
Base-Base interactions energy: -292.516
where: short stacking energy: -153.270
Base-Backbone interact. energy: -0.177
local terms energy: -143.730976
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -37.868
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -38.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -313.605689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.605689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.605689 (E_RNA)
where:
Base-Base interactions energy: -183.914
where: short stacking energy: -117.372
Base-Backbone interact. energy: -0.039
local terms energy: -129.652767
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -28.514
flat angles C4'-P-C4' energy: -33.348
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -25.427
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: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -362.554297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.554297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.554297 (E_RNA)
where:
Base-Base interactions energy: -227.308
where: short stacking energy: -128.178
Base-Backbone interact. energy: -0.541
local terms energy: -134.705324
where:
bonds (distance) C4'-P energy: -28.234
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -29.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -189.715411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.715411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.715411 (E_RNA)
where:
Base-Base interactions energy: -72.348
where: short stacking energy: -53.237
Base-Backbone interact. energy: -0.397
local terms energy: -116.970369
where:
bonds (distance) C4'-P energy: -30.118
bonds (distance) P-C4' energy: -31.083
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: 1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -181.170299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.170299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.170299 (E_RNA)
where:
Base-Base interactions energy: -76.228
where: short stacking energy: -74.260
Base-Backbone interact. energy: 0.097
local terms energy: -105.039525
where:
bonds (distance) C4'-P energy: -30.467
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -28.278
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -188.347311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.347311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.347311 (E_RNA)
where:
Base-Base interactions energy: -82.167
where: short stacking energy: -79.440
Base-Backbone interact. energy: -1.859
local terms energy: -104.321259
where:
bonds (distance) C4'-P energy: -25.304
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -24.178
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -174.944885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.944885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.944885 (E_RNA)
where:
Base-Base interactions energy: -76.340
where: short stacking energy: -58.513
Base-Backbone interact. energy: -0.462
local terms energy: -98.142963
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -33.173
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -473.851940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.851940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.851940 (E_RNA)
where:
Base-Base interactions energy: -313.909
where: short stacking energy: -144.744
Base-Backbone interact. energy: -2.275
local terms energy: -157.668838
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -32.880
flat angles P-C4'-P energy: -26.890
tors. eta vs tors. theta energy: -36.826
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: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -484.663216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.663216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.663216 (E_RNA)
where:
Base-Base interactions energy: -310.147
where: short stacking energy: -160.001
Base-Backbone interact. energy: -0.420
local terms energy: -174.096252
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -29.208
flat angles C4'-P-C4' energy: -38.527
flat angles P-C4'-P energy: -25.744
tors. eta vs tors. theta energy: -48.631
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: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -459.032464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.032464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.032464 (E_RNA)
where:
Base-Base interactions energy: -314.575
where: short stacking energy: -152.548
Base-Backbone interact. energy: -0.245
local terms energy: -144.211979
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -28.843
flat angles C4'-P-C4' energy: -35.592
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -40.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -428.739726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.739726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.739726 (E_RNA)
where:
Base-Base interactions energy: -287.718
where: short stacking energy: -149.846
Base-Backbone interact. energy: -0.603
local terms energy: -140.418786
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -20.014
tors. eta vs tors. theta energy: -37.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -318.487278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.487278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.487278 (E_RNA)
where:
Base-Base interactions energy: -179.645
where: short stacking energy: -118.302
Base-Backbone interact. energy: 2.077
local terms energy: -140.918487
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -32.915
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -27.029
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: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -381.569958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.569958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.569958 (E_RNA)
where:
Base-Base interactions energy: -237.168
where: short stacking energy: -131.272
Base-Backbone interact. energy: 1.166
local terms energy: -145.567606
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -36.908
flat angles P-C4'-P energy: -27.549
tors. eta vs tors. theta energy: -33.336
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: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -225.842896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.842896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.842896 (E_RNA)
where:
Base-Base interactions energy: -105.532
where: short stacking energy: -67.256
Base-Backbone interact. energy: -0.377
local terms energy: -119.933896
where:
bonds (distance) C4'-P energy: -30.392
bonds (distance) P-C4' energy: -34.552
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -14.634
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: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -178.907508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.907508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.907508 (E_RNA)
where:
Base-Base interactions energy: -74.056
where: short stacking energy: -64.010
Base-Backbone interact. energy: -2.052
local terms energy: -102.798551
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -34.948
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -1.336
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: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -170.440690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.440690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.440690 (E_RNA)
where:
Base-Base interactions energy: -72.399
where: short stacking energy: -46.069
Base-Backbone interact. energy: 1.612
local terms energy: -99.653713
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -38.405
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: 1.096
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: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -157.566841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.566841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.566841 (E_RNA)
where:
Base-Base interactions energy: -73.466
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.323
local terms energy: -83.778149
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -28.296
flat angles C4'-P-C4' energy: -32.837
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: 8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -498.937135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.937135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.937135 (E_RNA)
where:
Base-Base interactions energy: -341.153
where: short stacking energy: -146.068
Base-Backbone interact. energy: 1.006
local terms energy: -158.789240
where:
bonds (distance) C4'-P energy: -27.978
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -34.462
flat angles P-C4'-P energy: -28.403
tors. eta vs tors. theta energy: -37.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -470.986982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.986982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.986982 (E_RNA)
where:
Base-Base interactions energy: -303.796
where: short stacking energy: -156.089
Base-Backbone interact. energy: -0.851
local terms energy: -166.339831
where:
bonds (distance) C4'-P energy: -28.335
bonds (distance) P-C4' energy: -37.844
flat angles C4'-P-C4' energy: -35.973
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -44.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -426.439076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.439076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.439076 (E_RNA)
where:
Base-Base interactions energy: -279.291
where: short stacking energy: -140.183
Base-Backbone interact. energy: 1.454
local terms energy: -148.602018
where:
bonds (distance) C4'-P energy: -29.301
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -35.978
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -38.344
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: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -414.366787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.366787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.366787 (E_RNA)
where:
Base-Base interactions energy: -266.875
where: short stacking energy: -135.421
Base-Backbone interact. energy: 0.143
local terms energy: -147.635642
where:
bonds (distance) C4'-P energy: -29.216
bonds (distance) P-C4' energy: -32.287
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -33.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -411.664494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.664494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.664494 (E_RNA)
where:
Base-Base interactions energy: -272.153
where: short stacking energy: -157.695
Base-Backbone interact. energy: -1.248
local terms energy: -138.262648
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -40.941
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: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -298.657387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.657387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.657387 (E_RNA)
where:
Base-Base interactions energy: -170.436
where: short stacking energy: -107.222
Base-Backbone interact. energy: -2.400
local terms energy: -125.820882
where:
bonds (distance) C4'-P energy: -26.422
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -18.790
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: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -221.898186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.898186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.898186 (E_RNA)
where:
Base-Base interactions energy: -102.708
where: short stacking energy: -86.861
Base-Backbone interact. energy: -0.519
local terms energy: -118.671450
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -27.165
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -12.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -171.033366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.033366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.033366 (E_RNA)
where:
Base-Base interactions energy: -74.002
where: short stacking energy: -59.483
Base-Backbone interact. energy: -0.492
local terms energy: -96.539317
where:
bonds (distance) C4'-P energy: -27.772
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -3.518
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: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -166.485457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.485457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.485457 (E_RNA)
where:
Base-Base interactions energy: -70.286
where: short stacking energy: -58.174
Base-Backbone interact. energy: -0.811
local terms energy: -95.388351
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -32.391
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -11.323
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: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -145.560536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.560536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.560536 (E_RNA)
where:
Base-Base interactions energy: -60.877
where: short stacking energy: -49.636
Base-Backbone interact. energy: -0.665
local terms energy: -84.019036
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -5.673
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: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -494.074299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.074299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.074299 (E_RNA)
where:
Base-Base interactions energy: -339.260
where: short stacking energy: -140.672
Base-Backbone interact. energy: 0.126
local terms energy: -154.940622
where:
bonds (distance) C4'-P energy: -31.539
bonds (distance) P-C4' energy: -32.554
flat angles C4'-P-C4' energy: -32.053
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: -33.190
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: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -472.914297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.914297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.914297 (E_RNA)
where:
Base-Base interactions energy: -306.273
where: short stacking energy: -167.573
Base-Backbone interact. energy: -1.642
local terms energy: -164.999151
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -29.584
flat angles C4'-P-C4' energy: -33.068
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -45.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -437.294273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.294273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.294273 (E_RNA)
where:
Base-Base interactions energy: -287.253
where: short stacking energy: -140.452
Base-Backbone interact. energy: -1.022
local terms energy: -149.018719
where:
bonds (distance) C4'-P energy: -32.191
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -27.745
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -37.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -424.179960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.179960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.179960 (E_RNA)
where:
Base-Base interactions energy: -270.110
where: short stacking energy: -131.195
Base-Backbone interact. energy: -2.253
local terms energy: -151.816827
where:
bonds (distance) C4'-P energy: -32.798
bonds (distance) P-C4' energy: -34.755
flat angles C4'-P-C4' energy: -34.868
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -30.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -414.823953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.823953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.823953 (E_RNA)
where:
Base-Base interactions energy: -278.076
where: short stacking energy: -149.785
Base-Backbone interact. energy: -0.503
local terms energy: -136.244791
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -29.875
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -18.673
tors. eta vs tors. theta energy: -35.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -289.459635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.459635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.459635 (E_RNA)
where:
Base-Base interactions energy: -156.726
where: short stacking energy: -105.199
Base-Backbone interact. energy: -0.676
local terms energy: -132.057909
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -27.952
flat angles C4'-P-C4' energy: -27.416
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -27.554
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: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -202.937770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.937770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.937770 (E_RNA)
where:
Base-Base interactions energy: -85.974
where: short stacking energy: -83.657
Base-Backbone interact. energy: -0.275
local terms energy: -116.688733
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -12.015
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: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -194.865591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.865591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.865591 (E_RNA)
where:
Base-Base interactions energy: -95.394
where: short stacking energy: -65.715
Base-Backbone interact. energy: -0.363
local terms energy: -99.107901
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -28.854
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -162.800937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.800937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.800937 (E_RNA)
where:
Base-Base interactions energy: -58.995
where: short stacking energy: -54.614
Base-Backbone interact. energy: 0.623
local terms energy: -104.429242
where:
bonds (distance) C4'-P energy: -29.336
bonds (distance) P-C4' energy: -25.978
flat angles C4'-P-C4' energy: -31.504
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -159.375276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.375276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.375276 (E_RNA)
where:
Base-Base interactions energy: -79.892
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.612
local terms energy: -78.871090
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -509.651318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.651318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.651318 (E_RNA)
where:
Base-Base interactions energy: -349.763
where: short stacking energy: -151.863
Base-Backbone interact. energy: -0.679
local terms energy: -159.209452
where:
bonds (distance) C4'-P energy: -33.567
bonds (distance) P-C4' energy: -30.381
flat angles C4'-P-C4' energy: -33.735
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -38.895
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: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -504.002387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.002387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.002387 (E_RNA)
where:
Base-Base interactions energy: -335.857
where: short stacking energy: -158.618
Base-Backbone interact. energy: -0.212
local terms energy: -167.934053
where:
bonds (distance) C4'-P energy: -32.351
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -33.922
flat angles P-C4'-P energy: -25.379
tors. eta vs tors. theta energy: -43.314
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: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -459.388854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.388854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.388854 (E_RNA)
where:
Base-Base interactions energy: -290.949
where: short stacking energy: -150.021
Base-Backbone interact. energy: -1.982
local terms energy: -166.458165
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -31.927
flat angles C4'-P-C4' energy: -33.139
flat angles P-C4'-P energy: -27.065
tors. eta vs tors. theta energy: -45.771
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: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -433.297009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.297009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.297009 (E_RNA)
where:
Base-Base interactions energy: -270.321
where: short stacking energy: -136.803
Base-Backbone interact. energy: -0.214
local terms energy: -162.761216
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -32.067
flat angles C4'-P-C4' energy: -35.227
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -39.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -402.919596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.919596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.919596 (E_RNA)
where:
Base-Base interactions energy: -274.947
where: short stacking energy: -137.868
Base-Backbone interact. energy: -0.100
local terms energy: -127.872880
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -25.656
tors. eta vs tors. theta energy: -34.327
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: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -292.722058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.722058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.722058 (E_RNA)
where:
Base-Base interactions energy: -170.042
where: short stacking energy: -111.027
Base-Backbone interact. energy: -0.947
local terms energy: -121.733366
where:
bonds (distance) C4'-P energy: -24.031
bonds (distance) P-C4' energy: -29.408
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -210.276105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.276105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.276105 (E_RNA)
where:
Base-Base interactions energy: -92.851
where: short stacking energy: -86.277
Base-Backbone interact. energy: -0.195
local terms energy: -117.230571
where:
bonds (distance) C4'-P energy: -33.016
bonds (distance) P-C4' energy: -28.302
flat angles C4'-P-C4' energy: -25.163
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -246.516040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.516040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.516040 (E_RNA)
where:
Base-Base interactions energy: -141.587
where: short stacking energy: -90.633
Base-Backbone interact. energy: -1.124
local terms energy: -103.805588
where:
bonds (distance) C4'-P energy: -26.481
bonds (distance) P-C4' energy: -29.898
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -180.083812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.083812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.083812 (E_RNA)
where:
Base-Base interactions energy: -73.047
where: short stacking energy: -55.743
Base-Backbone interact. energy: 0.514
local terms energy: -107.550292
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -27.148
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -4.988
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: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -157.173438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.173438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.173438 (E_RNA)
where:
Base-Base interactions energy: -64.812
where: short stacking energy: -52.709
Base-Backbone interact. energy: -0.529
local terms energy: -91.832330
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -27.647
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: 0.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -495.350821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.350821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.350821 (E_RNA)
where:
Base-Base interactions energy: -350.811
where: short stacking energy: -155.036
Base-Backbone interact. energy: -0.637
local terms energy: -143.902755
where:
bonds (distance) C4'-P energy: -25.507
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -30.239
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -38.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -509.805257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.805257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.805257 (E_RNA)
where:
Base-Base interactions energy: -347.969
where: short stacking energy: -158.117
Base-Backbone interact. energy: -1.372
local terms energy: -160.463462
where:
bonds (distance) C4'-P energy: -31.671
bonds (distance) P-C4' energy: -27.945
flat angles C4'-P-C4' energy: -38.552
flat angles P-C4'-P energy: -25.115
tors. eta vs tors. theta energy: -37.179
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: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -451.723370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.723370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.723370 (E_RNA)
where:
Base-Base interactions energy: -296.248
where: short stacking energy: -145.703
Base-Backbone interact. energy: -1.477
local terms energy: -153.998946
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -36.169
flat angles P-C4'-P energy: -24.137
tors. eta vs tors. theta energy: -40.635
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: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -440.171350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.171350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.171350 (E_RNA)
where:
Base-Base interactions energy: -284.731
where: short stacking energy: -139.634
Base-Backbone interact. energy: -1.029
local terms energy: -154.411299
where:
bonds (distance) C4'-P energy: -34.147
bonds (distance) P-C4' energy: -33.194
flat angles C4'-P-C4' energy: -32.643
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -33.906
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: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -388.562908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.562908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.562908 (E_RNA)
where:
Base-Base interactions energy: -242.209
where: short stacking energy: -119.294
Base-Backbone interact. energy: 0.081
local terms energy: -146.434567
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -34.075
flat angles C4'-P-C4' energy: -31.554
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -30.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -298.023031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.023031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.023031 (E_RNA)
where:
Base-Base interactions energy: -167.826
where: short stacking energy: -94.562
Base-Backbone interact. energy: -0.316
local terms energy: -129.881199
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -28.738
flat angles C4'-P-C4' energy: -37.044
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -210.937791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.937791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.937791 (E_RNA)
where:
Base-Base interactions energy: -91.666
where: short stacking energy: -87.233
Base-Backbone interact. energy: -0.628
local terms energy: -118.643870
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -31.988
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -224.375215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.375215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.375215 (E_RNA)
where:
Base-Base interactions energy: -135.153
where: short stacking energy: -75.921
Base-Backbone interact. energy: -0.197
local terms energy: -89.025892
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -31.133
flat angles C4'-P-C4' energy: -29.565
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -0.478
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: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -175.102332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.102332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.102332 (E_RNA)
where:
Base-Base interactions energy: -74.175
where: short stacking energy: -67.833
Base-Backbone interact. energy: -0.768
local terms energy: -100.159684
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -161.819973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.819973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.819973 (E_RNA)
where:
Base-Base interactions energy: -80.114
where: short stacking energy: -69.634
Base-Backbone interact. energy: 0.314
local terms energy: -82.020025
where:
bonds (distance) C4'-P energy: -24.473
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -504.935804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.935804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.935804 (E_RNA)
where:
Base-Base interactions energy: -337.719
where: short stacking energy: -157.606
Base-Backbone interact. energy: -0.584
local terms energy: -166.633186
where:
bonds (distance) C4'-P energy: -32.279
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -33.760
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -43.129
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: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -507.677679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.677679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.677679 (E_RNA)
where:
Base-Base interactions energy: -340.762
where: short stacking energy: -159.391
Base-Backbone interact. energy: -0.921
local terms energy: -165.995362
where:
bonds (distance) C4'-P energy: -30.680
bonds (distance) P-C4' energy: -32.647
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -26.692
tors. eta vs tors. theta energy: -42.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -449.667772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.667772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.667772 (E_RNA)
where:
Base-Base interactions energy: -286.390
where: short stacking energy: -164.254
Base-Backbone interact. energy: -0.011
local terms energy: -163.266622
where:
bonds (distance) C4'-P energy: -36.696
bonds (distance) P-C4' energy: -32.543
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -42.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -430.116476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.116476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.116476 (E_RNA)
where:
Base-Base interactions energy: -268.988
where: short stacking energy: -144.400
Base-Backbone interact. energy: -1.498
local terms energy: -159.630794
where:
bonds (distance) C4'-P energy: -33.004
bonds (distance) P-C4' energy: -29.662
flat angles C4'-P-C4' energy: -36.016
flat angles P-C4'-P energy: -25.317
tors. eta vs tors. theta energy: -35.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -390.489405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.489405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.489405 (E_RNA)
where:
Base-Base interactions energy: -253.605
where: short stacking energy: -140.030
Base-Backbone interact. energy: -0.806
local terms energy: -136.077831
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -35.696
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -32.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -295.806211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.806211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.806211 (E_RNA)
where:
Base-Base interactions energy: -167.030
where: short stacking energy: -88.933
Base-Backbone interact. energy: -0.812
local terms energy: -127.964502
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -27.591
flat angles C4'-P-C4' energy: -32.614
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -214.886528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.886528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.886528 (E_RNA)
where:
Base-Base interactions energy: -95.712
where: short stacking energy: -95.160
Base-Backbone interact. energy: 1.290
local terms energy: -120.465079
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -26.341
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -239.308060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.308060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.308060 (E_RNA)
where:
Base-Base interactions energy: -130.014
where: short stacking energy: -75.577
Base-Backbone interact. energy: -0.393
local terms energy: -108.900453
where:
bonds (distance) C4'-P energy: -27.885
bonds (distance) P-C4' energy: -29.988
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -183.109805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.109805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.109805 (E_RNA)
where:
Base-Base interactions energy: -80.445
where: short stacking energy: -43.307
Base-Backbone interact. energy: -1.852
local terms energy: -100.812880
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -29.499
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -23.245
tors. eta vs tors. theta energy: -0.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -162.736735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.736735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.736735 (E_RNA)
where:
Base-Base interactions energy: -75.501
where: short stacking energy: -68.714
Base-Backbone interact. energy: 3.309
local terms energy: -90.544536
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -6.476
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: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -508.858212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.858212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.858212 (E_RNA)
where:
Base-Base interactions energy: -349.373
where: short stacking energy: -153.379
Base-Backbone interact. energy: -1.327
local terms energy: -158.158873
where:
bonds (distance) C4'-P energy: -29.651
bonds (distance) P-C4' energy: -32.219
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -26.453
tors. eta vs tors. theta energy: -38.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -517.712718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.712718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.712718 (E_RNA)
where:
Base-Base interactions energy: -355.226
where: short stacking energy: -169.574
Base-Backbone interact. energy: -0.490
local terms energy: -161.996612
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -37.420
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -41.357
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: 3, replica: 10
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -459.027084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.027084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.027084 (E_RNA)
where:
Base-Base interactions energy: -300.451
where: short stacking energy: -164.349
Base-Backbone interact. energy: -0.432
local terms energy: -158.143857
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -32.000
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -46.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -403.580098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.580098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.580098 (E_RNA)
where:
Base-Base interactions energy: -251.085
where: short stacking energy: -143.995
Base-Backbone interact. energy: -0.221
local terms energy: -152.273772
where:
bonds (distance) C4'-P energy: -31.535
bonds (distance) P-C4' energy: -32.841
flat angles C4'-P-C4' energy: -36.416
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -28.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -388.973763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.973763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.973763 (E_RNA)
where:
Base-Base interactions energy: -248.300
where: short stacking energy: -128.081
Base-Backbone interact. energy: -0.863
local terms energy: -139.810835
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -33.145
flat angles C4'-P-C4' energy: -32.450
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -27.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -308.876286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.876286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.876286 (E_RNA)
where:
Base-Base interactions energy: -185.476
where: short stacking energy: -122.058
Base-Backbone interact. energy: -1.047
local terms energy: -122.353740
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -31.636
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: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -206.978907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.978907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.978907 (E_RNA)
where:
Base-Base interactions energy: -89.183
where: short stacking energy: -82.981
Base-Backbone interact. energy: -0.693
local terms energy: -117.103211
where:
bonds (distance) C4'-P energy: -32.862
bonds (distance) P-C4' energy: -31.589
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -246.744854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.744854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.744854 (E_RNA)
where:
Base-Base interactions energy: -121.846
where: short stacking energy: -73.723
Base-Backbone interact. energy: -0.350
local terms energy: -124.548495
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -28.853
flat angles P-C4'-P energy: -22.222
tors. eta vs tors. theta energy: -12.664
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: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -179.333093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.333093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.333093 (E_RNA)
where:
Base-Base interactions energy: -76.632
where: short stacking energy: -63.477
Base-Backbone interact. energy: 1.472
local terms energy: -104.173321
where:
bonds (distance) C4'-P energy: -31.190
bonds (distance) P-C4' energy: -31.157
flat angles C4'-P-C4' energy: -27.283
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -179.561016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.561016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.561016 (E_RNA)
where:
Base-Base interactions energy: -82.257
where: short stacking energy: -64.625
Base-Backbone interact. energy: -0.476
local terms energy: -96.827812
where:
bonds (distance) C4'-P energy: -31.296
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -25.778
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -0.994
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: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -524.549951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.549951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.549951 (E_RNA)
where:
Base-Base interactions energy: -357.496
where: short stacking energy: -157.527
Base-Backbone interact. energy: -1.043
local terms energy: -166.010769
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -39.431
flat angles C4'-P-C4' energy: -36.017
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -40.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -484.190751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.190751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.190751 (E_RNA)
where:
Base-Base interactions energy: -316.311
where: short stacking energy: -150.077
Base-Backbone interact. energy: -3.734
local terms energy: -164.145561
where:
bonds (distance) C4'-P energy: -29.880
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -32.598
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -47.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -443.383766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.383766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.383766 (E_RNA)
where:
Base-Base interactions energy: -275.414
where: short stacking energy: -150.852
Base-Backbone interact. energy: -0.125
local terms energy: -167.845485
where:
bonds (distance) C4'-P energy: -31.657
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -34.719
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -43.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -437.771137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.771137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.771137 (E_RNA)
where:
Base-Base interactions energy: -264.833
where: short stacking energy: -157.128
Base-Backbone interact. energy: 0.603
local terms energy: -173.541334
where:
bonds (distance) C4'-P energy: -36.595
bonds (distance) P-C4' energy: -31.262
flat angles C4'-P-C4' energy: -36.024
flat angles P-C4'-P energy: -25.751
tors. eta vs tors. theta energy: -43.909
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: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -364.906176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.906176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.906176 (E_RNA)
where:
Base-Base interactions energy: -228.378
where: short stacking energy: -126.248
Base-Backbone interact. energy: 0.012
local terms energy: -136.539814
where:
bonds (distance) C4'-P energy: -25.921
bonds (distance) P-C4' energy: -36.738
flat angles C4'-P-C4' energy: -29.059
flat angles P-C4'-P energy: -19.994
tors. eta vs tors. theta energy: -24.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -321.823152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.823152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.823152 (E_RNA)
where:
Base-Base interactions energy: -198.816
where: short stacking energy: -100.783
Base-Backbone interact. energy: -0.294
local terms energy: -122.713328
where:
bonds (distance) C4'-P energy: -25.813
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -23.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -266.483933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.483933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.483933 (E_RNA)
where:
Base-Base interactions energy: -147.152
where: short stacking energy: -98.808
Base-Backbone interact. energy: -0.244
local terms energy: -119.088688
where:
bonds (distance) C4'-P energy: -27.183
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -27.253
flat angles P-C4'-P energy: -22.793
tors. eta vs tors. theta energy: -18.931
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: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -249.731594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.731594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.731594 (E_RNA)
where:
Base-Base interactions energy: -145.932
where: short stacking energy: -80.153
Base-Backbone interact. energy: -0.714
local terms energy: -103.085803
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -28.930
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -169.921044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.921044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.921044 (E_RNA)
where:
Base-Base interactions energy: -60.343
where: short stacking energy: -55.060
Base-Backbone interact. energy: -0.318
local terms energy: -109.260688
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -30.800
flat angles C4'-P-C4' energy: -31.203
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -160.717663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.717663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.717663 (E_RNA)
where:
Base-Base interactions energy: -61.041
where: short stacking energy: -50.586
Base-Backbone interact. energy: 0.114
local terms energy: -99.790734
where:
bonds (distance) C4'-P energy: -30.788
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -523.477466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.477466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.477466 (E_RNA)
where:
Base-Base interactions energy: -361.618
where: short stacking energy: -155.219
Base-Backbone interact. energy: -1.199
local terms energy: -160.659935
where:
bonds (distance) C4'-P energy: -32.157
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -33.512
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -42.746
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: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -499.067608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.067608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.067608 (E_RNA)
where:
Base-Base interactions energy: -333.796
where: short stacking energy: -162.392
Base-Backbone interact. energy: -1.682
local terms energy: -163.588993
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -33.022
flat angles C4'-P-C4' energy: -37.186
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -47.933
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: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -463.806469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.806469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.806469 (E_RNA)
where:
Base-Base interactions energy: -297.266
where: short stacking energy: -156.883
Base-Backbone interact. energy: -0.547
local terms energy: -165.993788
where:
bonds (distance) C4'-P energy: -34.204
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -38.639
flat angles P-C4'-P energy: -24.652
tors. eta vs tors. theta energy: -39.140
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: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -419.367966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.367966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.367966 (E_RNA)
where:
Base-Base interactions energy: -263.378
where: short stacking energy: -153.280
Base-Backbone interact. energy: -0.622
local terms energy: -155.368444
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -32.416
flat angles P-C4'-P energy: -27.534
tors. eta vs tors. theta energy: -42.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -351.017857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.017857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.017857 (E_RNA)
where:
Base-Base interactions energy: -228.454
where: short stacking energy: -111.492
Base-Backbone interact. energy: 0.496
local terms energy: -123.059786
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -32.174
flat angles C4'-P-C4' energy: -27.566
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -27.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -337.051465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.051465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.051465 (E_RNA)
where:
Base-Base interactions energy: -217.875
where: short stacking energy: -111.432
Base-Backbone interact. energy: 2.479
local terms energy: -121.655416
where:
bonds (distance) C4'-P energy: -29.287
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -29.347
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -23.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -248.725978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.725978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.725978 (E_RNA)
where:
Base-Base interactions energy: -134.028
where: short stacking energy: -85.687
Base-Backbone interact. energy: 0.661
local terms energy: -115.359028
where:
bonds (distance) C4'-P energy: -27.938
bonds (distance) P-C4' energy: -27.937
flat angles C4'-P-C4' energy: -30.560
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -220.976932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.976932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.976932 (E_RNA)
where:
Base-Base interactions energy: -124.289
where: short stacking energy: -63.501
Base-Backbone interact. energy: 1.260
local terms energy: -97.948460
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -190.935051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.935051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.935051 (E_RNA)
where:
Base-Base interactions energy: -90.335
where: short stacking energy: -69.226
Base-Backbone interact. energy: -0.514
local terms energy: -100.085853
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -28.400
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -12.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -169.049751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.049751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.049751 (E_RNA)
where:
Base-Base interactions energy: -65.097
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.118
local terms energy: -103.834788
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -26.920
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: -8.261
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: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -510.418912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.418912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.418912 (E_RNA)
where:
Base-Base interactions energy: -338.102
where: short stacking energy: -158.733
Base-Backbone interact. energy: -1.696
local terms energy: -170.620566
where:
bonds (distance) C4'-P energy: -29.030
bonds (distance) P-C4' energy: -36.405
flat angles C4'-P-C4' energy: -34.070
flat angles P-C4'-P energy: -24.917
tors. eta vs tors. theta energy: -46.199
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: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -520.245361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.245361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.245361 (E_RNA)
where:
Base-Base interactions energy: -355.010
where: short stacking energy: -142.700
Base-Backbone interact. energy: -3.083
local terms energy: -162.152715
where:
bonds (distance) C4'-P energy: -29.326
bonds (distance) P-C4' energy: -37.498
flat angles C4'-P-C4' energy: -33.787
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -42.852
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: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -478.210900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.210900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.210900 (E_RNA)
where:
Base-Base interactions energy: -317.364
where: short stacking energy: -159.577
Base-Backbone interact. energy: 0.803
local terms energy: -161.649521
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -37.425
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -43.174
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: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -438.838110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.838110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.838110 (E_RNA)
where:
Base-Base interactions energy: -281.003
where: short stacking energy: -163.625
Base-Backbone interact. energy: -0.344
local terms energy: -157.491437
where:
bonds (distance) C4'-P energy: -29.172
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -30.642
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -45.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -372.101067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.101067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.101067 (E_RNA)
where:
Base-Base interactions energy: -224.638
where: short stacking energy: -126.149
Base-Backbone interact. energy: -1.159
local terms energy: -146.304590
where:
bonds (distance) C4'-P energy: -33.917
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -35.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -330.071438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.071438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.071438 (E_RNA)
where:
Base-Base interactions energy: -210.337
where: short stacking energy: -111.637
Base-Backbone interact. energy: -0.548
local terms energy: -119.187071
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -30.757
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -21.936
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: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -268.794487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.794487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.794487 (E_RNA)
where:
Base-Base interactions energy: -157.002
where: short stacking energy: -86.591
Base-Backbone interact. energy: -0.443
local terms energy: -111.348816
where:
bonds (distance) C4'-P energy: -26.997
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -192.887945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.887945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.887945 (E_RNA)
where:
Base-Base interactions energy: -89.623
where: short stacking energy: -83.100
Base-Backbone interact. energy: 1.230
local terms energy: -104.494894
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -32.155
flat angles C4'-P-C4' energy: -25.463
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -197.083467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.083467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.083467 (E_RNA)
where:
Base-Base interactions energy: -89.229
where: short stacking energy: -65.502
Base-Backbone interact. energy: -0.510
local terms energy: -107.344622
where:
bonds (distance) C4'-P energy: -28.493
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -29.451
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -164.934867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.934867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.934867 (E_RNA)
where:
Base-Base interactions energy: -68.347
where: short stacking energy: -53.829
Base-Backbone interact. energy: -0.157
local terms energy: -96.430854
where:
bonds (distance) C4'-P energy: -33.609
bonds (distance) P-C4' energy: -29.108
flat angles C4'-P-C4' energy: -21.621
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -502.719174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.719174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.719174 (E_RNA)
where:
Base-Base interactions energy: -332.156
where: short stacking energy: -168.327
Base-Backbone interact. energy: -0.369
local terms energy: -170.193720
where:
bonds (distance) C4'-P energy: -33.298
bonds (distance) P-C4' energy: -33.561
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -45.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -500.313212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.313212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.313212 (E_RNA)
where:
Base-Base interactions energy: -331.120
where: short stacking energy: -163.671
Base-Backbone interact. energy: -2.132
local terms energy: -167.061173
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -31.552
flat angles C4'-P-C4' energy: -37.327
flat angles P-C4'-P energy: -25.737
tors. eta vs tors. theta energy: -41.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -476.314178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.314178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.314178 (E_RNA)
where:
Base-Base interactions energy: -316.446
where: short stacking energy: -150.155
Base-Backbone interact. energy: 1.058
local terms energy: -160.926289
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -34.210
flat angles P-C4'-P energy: -25.097
tors. eta vs tors. theta energy: -38.362
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: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -437.139825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.139825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.139825 (E_RNA)
where:
Base-Base interactions energy: -277.063
where: short stacking energy: -160.734
Base-Backbone interact. energy: -0.455
local terms energy: -159.622326
where:
bonds (distance) C4'-P energy: -33.989
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -33.258
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -42.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -362.039609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.039609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.039609 (E_RNA)
where:
Base-Base interactions energy: -236.059
where: short stacking energy: -135.992
Base-Backbone interact. energy: -0.259
local terms energy: -125.721934
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -32.336
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -35.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -356.038763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.038763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.038763 (E_RNA)
where:
Base-Base interactions energy: -220.328
where: short stacking energy: -114.692
Base-Backbone interact. energy: -0.288
local terms energy: -135.422116
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -34.379
flat angles P-C4'-P energy: -27.257
tors. eta vs tors. theta energy: -26.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -275.164345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.164345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.164345 (E_RNA)
where:
Base-Base interactions energy: -157.874
where: short stacking energy: -104.846
Base-Backbone interact. energy: -0.179
local terms energy: -117.111734
where:
bonds (distance) C4'-P energy: -30.015
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -16.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -188.687291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.687291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.687291 (E_RNA)
where:
Base-Base interactions energy: -75.063
where: short stacking energy: -67.968
Base-Backbone interact. energy: -0.597
local terms energy: -113.027174
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -34.310
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -8.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -188.090735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.090735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.090735 (E_RNA)
where:
Base-Base interactions energy: -66.335
where: short stacking energy: -65.707
Base-Backbone interact. energy: 0.372
local terms energy: -122.127976
where:
bonds (distance) C4'-P energy: -35.942
bonds (distance) P-C4' energy: -28.128
flat angles C4'-P-C4' energy: -28.740
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -6.774
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: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -171.412383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.412383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.412383 (E_RNA)
where:
Base-Base interactions energy: -68.369
where: short stacking energy: -56.150
Base-Backbone interact. energy: -0.291
local terms energy: -102.752333
where:
bonds (distance) C4'-P energy: -29.794
bonds (distance) P-C4' energy: -33.730
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: 2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -515.298257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.298257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.298257 (E_RNA)
where:
Base-Base interactions energy: -337.668
where: short stacking energy: -172.287
Base-Backbone interact. energy: -0.323
local terms energy: -177.307200
where:
bonds (distance) C4'-P energy: -36.928
bonds (distance) P-C4' energy: -35.904
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -22.326
tors. eta vs tors. theta energy: -46.501
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: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -490.173531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.173531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.173531 (E_RNA)
where:
Base-Base interactions energy: -324.400
where: short stacking energy: -140.691
Base-Backbone interact. energy: -1.481
local terms energy: -164.292697
where:
bonds (distance) C4'-P energy: -32.239
bonds (distance) P-C4' energy: -35.565
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -20.028
tors. eta vs tors. theta energy: -40.663
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: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -478.639498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.639498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.639498 (E_RNA)
where:
Base-Base interactions energy: -329.491
where: short stacking energy: -162.947
Base-Backbone interact. energy: -0.780
local terms energy: -148.368630
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -29.172
flat angles C4'-P-C4' energy: -32.655
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -40.279
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: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -458.464942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.464942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.464942 (E_RNA)
where:
Base-Base interactions energy: -311.547
where: short stacking energy: -159.311
Base-Backbone interact. energy: -0.691
local terms energy: -146.226387
where:
bonds (distance) C4'-P energy: -29.241
bonds (distance) P-C4' energy: -27.229
flat angles C4'-P-C4' energy: -33.536
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -37.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -360.892822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.892822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.892822 (E_RNA)
where:
Base-Base interactions energy: -221.620
where: short stacking energy: -119.165
Base-Backbone interact. energy: -0.284
local terms energy: -138.988709
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -37.496
flat angles C4'-P-C4' energy: -30.697
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -26.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -370.025146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.025146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.025146 (E_RNA)
where:
Base-Base interactions energy: -234.996
where: short stacking energy: -108.632
Base-Backbone interact. energy: -1.572
local terms energy: -133.456708
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -34.372
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -24.693
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: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -263.811185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.811185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.811185 (E_RNA)
where:
Base-Base interactions energy: -143.612
where: short stacking energy: -90.967
Base-Backbone interact. energy: -0.155
local terms energy: -120.043869
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -24.547
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -27.044
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -199.440759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.440759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.440759 (E_RNA)
where:
Base-Base interactions energy: -93.089
where: short stacking energy: -81.351
Base-Backbone interact. energy: -1.381
local terms energy: -104.970743
where:
bonds (distance) C4'-P energy: -30.164
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -32.040
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -7.784
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: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -212.551779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.551779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.551779 (E_RNA)
where:
Base-Base interactions energy: -92.307
where: short stacking energy: -62.711
Base-Backbone interact. energy: -0.391
local terms energy: -119.853728
where:
bonds (distance) C4'-P energy: -33.107
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -152.519236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.519236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.519236 (E_RNA)
where:
Base-Base interactions energy: -58.017
where: short stacking energy: -50.475
Base-Backbone interact. energy: 1.904
local terms energy: -96.405880
where:
bonds (distance) C4'-P energy: -32.842
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -494.603438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.603438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.603438 (E_RNA)
where:
Base-Base interactions energy: -326.617
where: short stacking energy: -157.819
Base-Backbone interact. energy: -0.111
local terms energy: -167.875473
where:
bonds (distance) C4'-P energy: -29.865
bonds (distance) P-C4' energy: -33.265
flat angles C4'-P-C4' energy: -36.323
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: -42.411
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: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -490.246417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.246417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.246417 (E_RNA)
where:
Base-Base interactions energy: -322.370
where: short stacking energy: -152.676
Base-Backbone interact. energy: -1.269
local terms energy: -166.607369
where:
bonds (distance) C4'-P energy: -29.548
bonds (distance) P-C4' energy: -36.634
flat angles C4'-P-C4' energy: -35.358
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -43.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -487.137421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.137421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.137421 (E_RNA)
where:
Base-Base interactions energy: -322.846
where: short stacking energy: -146.221
Base-Backbone interact. energy: -0.604
local terms energy: -163.687091
where:
bonds (distance) C4'-P energy: -32.698
bonds (distance) P-C4' energy: -34.287
flat angles C4'-P-C4' energy: -35.768
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -37.439
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: 23
Temperature: 1.050000
Total energy: -436.861363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.861363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.861363 (E_RNA)
where:
Base-Base interactions energy: -290.305
where: short stacking energy: -128.831
Base-Backbone interact. energy: 0.263
local terms energy: -146.819878
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -34.673
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -34.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -400.046985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.046985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.046985 (E_RNA)
where:
Base-Base interactions energy: -263.686
where: short stacking energy: -126.392
Base-Backbone interact. energy: -0.359
local terms energy: -136.002060
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -31.571
flat angles C4'-P-C4' energy: -31.276
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -30.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -359.526178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.526178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.526178 (E_RNA)
where:
Base-Base interactions energy: -219.136
where: short stacking energy: -120.654
Base-Backbone interact. energy: -0.739
local terms energy: -139.650849
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -35.944
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -31.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -263.257324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.257324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.257324 (E_RNA)
where:
Base-Base interactions energy: -156.824
where: short stacking energy: -94.473
Base-Backbone interact. energy: 0.137
local terms energy: -106.570460
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -27.111
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -15.197
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: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -185.151366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.151366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.151366 (E_RNA)
where:
Base-Base interactions energy: -76.002
where: short stacking energy: -72.300
Base-Backbone interact. energy: -0.622
local terms energy: -108.527161
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -28.951
flat angles C4'-P-C4' energy: -29.938
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -8.201
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: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -209.080756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.080756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.080756 (E_RNA)
where:
Base-Base interactions energy: -110.342
where: short stacking energy: -62.165
Base-Backbone interact. energy: 0.936
local terms energy: -99.674328
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -171.478204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.478204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.478204 (E_RNA)
where:
Base-Base interactions energy: -70.855
where: short stacking energy: -67.841
Base-Backbone interact. energy: -0.527
local terms energy: -100.096006
where:
bonds (distance) C4'-P energy: -30.387
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -11.128
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: 24
Temperature: 0.900000
Total energy: -496.969110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.969110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.969110 (E_RNA)
where:
Base-Base interactions energy: -332.445
where: short stacking energy: -157.429
Base-Backbone interact. energy: -0.121
local terms energy: -164.403794
where:
bonds (distance) C4'-P energy: -35.629
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -36.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -488.887034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.887034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.887034 (E_RNA)
where:
Base-Base interactions energy: -308.931
where: short stacking energy: -153.897
Base-Backbone interact. energy: -1.504
local terms energy: -178.451773
where:
bonds (distance) C4'-P energy: -36.793
bonds (distance) P-C4' energy: -38.692
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -27.154
tors. eta vs tors. theta energy: -46.390
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: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -468.675116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.675116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.675116 (E_RNA)
where:
Base-Base interactions energy: -313.476
where: short stacking energy: -161.132
Base-Backbone interact. energy: -0.520
local terms energy: -154.679336
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -32.517
flat angles C4'-P-C4' energy: -32.272
flat angles P-C4'-P energy: -24.542
tors. eta vs tors. theta energy: -36.223
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: 10
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -438.486501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.486501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.486501 (E_RNA)
where:
Base-Base interactions energy: -286.120
where: short stacking energy: -154.055
Base-Backbone interact. energy: -0.441
local terms energy: -151.925351
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -34.773
flat angles C4'-P-C4' energy: -34.172
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: -36.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -420.807231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.807231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.807231 (E_RNA)
where:
Base-Base interactions energy: -274.973
where: short stacking energy: -142.165
Base-Backbone interact. energy: -1.703
local terms energy: -144.131472
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -32.662
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -39.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -351.269784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.269784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.269784 (E_RNA)
where:
Base-Base interactions energy: -213.882
where: short stacking energy: -109.055
Base-Backbone interact. energy: -0.330
local terms energy: -137.057746
where:
bonds (distance) C4'-P energy: -24.732
bonds (distance) P-C4' energy: -33.242
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -24.146
tors. eta vs tors. theta energy: -26.863
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: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -254.638171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.638171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.638171 (E_RNA)
where:
Base-Base interactions energy: -141.740
where: short stacking energy: -86.512
Base-Backbone interact. energy: -1.238
local terms energy: -111.660946
where:
bonds (distance) C4'-P energy: -34.272
bonds (distance) P-C4' energy: -28.496
flat angles C4'-P-C4' energy: -23.616
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -197.836494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.836494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.836494 (E_RNA)
where:
Base-Base interactions energy: -83.022
where: short stacking energy: -76.599
Base-Backbone interact. energy: 0.066
local terms energy: -114.880469
where:
bonds (distance) C4'-P energy: -33.798
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -224.051434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.051434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.051434 (E_RNA)
where:
Base-Base interactions energy: -116.572
where: short stacking energy: -71.070
Base-Backbone interact. energy: -0.602
local terms energy: -106.877672
where:
bonds (distance) C4'-P energy: -28.930
bonds (distance) P-C4' energy: -32.420
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -8.332
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: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -187.940460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.940460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.940460 (E_RNA)
where:
Base-Base interactions energy: -93.135
where: short stacking energy: -72.019
Base-Backbone interact. energy: 0.315
local terms energy: -95.120406
where:
bonds (distance) C4'-P energy: -28.144
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -28.278
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -4.296
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: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -512.589142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.589142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.589142 (E_RNA)
where:
Base-Base interactions energy: -338.469
where: short stacking energy: -163.652
Base-Backbone interact. energy: -1.491
local terms energy: -172.629774
where:
bonds (distance) C4'-P energy: -28.385
bonds (distance) P-C4' energy: -39.816
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -30.086
tors. eta vs tors. theta energy: -40.839
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: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -491.108077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.108077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.108077 (E_RNA)
where:
Base-Base interactions energy: -321.872
where: short stacking energy: -166.186
Base-Backbone interact. energy: -0.221
local terms energy: -169.015019
where:
bonds (distance) C4'-P energy: -31.585
bonds (distance) P-C4' energy: -30.468
flat angles C4'-P-C4' energy: -36.433
flat angles P-C4'-P energy: -25.511
tors. eta vs tors. theta energy: -45.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -476.337209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.337209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.337209 (E_RNA)
where:
Base-Base interactions energy: -310.288
where: short stacking energy: -154.457
Base-Backbone interact. energy: -2.662
local terms energy: -163.386774
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -30.874
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -38.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -423.988280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.988280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.988280 (E_RNA)
where:
Base-Base interactions energy: -277.102
where: short stacking energy: -128.752
Base-Backbone interact. energy: -1.026
local terms energy: -145.859553
where:
bonds (distance) C4'-P energy: -27.001
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -31.956
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -36.799
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: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -437.910710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.910710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.910710 (E_RNA)
where:
Base-Base interactions energy: -278.156
where: short stacking energy: -140.416
Base-Backbone interact. energy: -1.221
local terms energy: -158.533767
where:
bonds (distance) C4'-P energy: -33.007
bonds (distance) P-C4' energy: -32.348
flat angles C4'-P-C4' energy: -34.031
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -39.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -388.778705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.778705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.778705 (E_RNA)
where:
Base-Base interactions energy: -251.185
where: short stacking energy: -116.749
Base-Backbone interact. energy: -0.812
local terms energy: -136.782325
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -32.571
flat angles P-C4'-P energy: -21.777
tors. eta vs tors. theta energy: -26.825
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: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -305.741627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.741627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.741627 (E_RNA)
where:
Base-Base interactions energy: -190.656
where: short stacking energy: -101.566
Base-Backbone interact. energy: -0.199
local terms energy: -114.886807
where:
bonds (distance) C4'-P energy: -30.659
bonds (distance) P-C4' energy: -27.454
flat angles C4'-P-C4' energy: -26.225
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -237.287153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.287153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.287153 (E_RNA)
where:
Base-Base interactions energy: -129.441
where: short stacking energy: -77.734
Base-Backbone interact. energy: -0.878
local terms energy: -106.967779
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -176.198279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.198279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.198279 (E_RNA)
where:
Base-Base interactions energy: -83.157
where: short stacking energy: -48.128
Base-Backbone interact. energy: 0.134
local terms energy: -93.174493
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -27.146
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: 7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -158.681451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.681451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.681451 (E_RNA)
where:
Base-Base interactions energy: -65.387
where: short stacking energy: -57.565
Base-Backbone interact. energy: 0.077
local terms energy: -93.372138
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -27.512
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -5.380
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: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -504.485670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.485670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.485670 (E_RNA)
where:
Base-Base interactions energy: -336.578
where: short stacking energy: -165.918
Base-Backbone interact. energy: -1.050
local terms energy: -166.857653
where:
bonds (distance) C4'-P energy: -34.350
bonds (distance) P-C4' energy: -31.937
flat angles C4'-P-C4' energy: -33.412
flat angles P-C4'-P energy: -22.110
tors. eta vs tors. theta energy: -45.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -497.094402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.094402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.094402 (E_RNA)
where:
Base-Base interactions energy: -331.921
where: short stacking energy: -159.226
Base-Backbone interact. energy: -0.476
local terms energy: -164.697907
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -33.679
flat angles C4'-P-C4' energy: -32.392
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -42.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -482.436039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.436039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.436039 (E_RNA)
where:
Base-Base interactions energy: -312.017
where: short stacking energy: -154.744
Base-Backbone interact. energy: -1.224
local terms energy: -169.195726
where:
bonds (distance) C4'-P energy: -32.886
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -49.819
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: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -438.097593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.097593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.097593 (E_RNA)
where:
Base-Base interactions energy: -285.614
where: short stacking energy: -140.348
Base-Backbone interact. energy: -0.657
local terms energy: -151.826590
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -31.608
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: -35.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -431.806978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.806978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.806978 (E_RNA)
where:
Base-Base interactions energy: -280.643
where: short stacking energy: -136.770
Base-Backbone interact. energy: -0.790
local terms energy: -150.373564
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -31.051
flat angles C4'-P-C4' energy: -35.543
flat angles P-C4'-P energy: -21.318
tors. eta vs tors. theta energy: -33.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -347.503082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.503082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.503082 (E_RNA)
where:
Base-Base interactions energy: -210.422
where: short stacking energy: -96.727
Base-Backbone interact. energy: -0.336
local terms energy: -136.744670
where:
bonds (distance) C4'-P energy: -28.510
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -29.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -308.893430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.893430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.893430 (E_RNA)
where:
Base-Base interactions energy: -184.564
where: short stacking energy: -81.398
Base-Backbone interact. energy: 0.233
local terms energy: -124.562015
where:
bonds (distance) C4'-P energy: -29.502
bonds (distance) P-C4' energy: -34.125
flat angles C4'-P-C4' energy: -27.660
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -245.815822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.815822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.815822 (E_RNA)
where:
Base-Base interactions energy: -129.697
where: short stacking energy: -80.164
Base-Backbone interact. energy: -0.290
local terms energy: -115.828715
where:
bonds (distance) C4'-P energy: -29.953
bonds (distance) P-C4' energy: -28.868
flat angles C4'-P-C4' energy: -31.185
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -171.825470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.825470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.825470 (E_RNA)
where:
Base-Base interactions energy: -77.655
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.890
local terms energy: -93.280547
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -30.979
flat angles C4'-P-C4' energy: -26.105
flat angles P-C4'-P energy: -13.451
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: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -169.276671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.276671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.276671 (E_RNA)
where:
Base-Base interactions energy: -75.720
where: short stacking energy: -56.412
Base-Backbone interact. energy: -0.588
local terms energy: -92.967985
where:
bonds (distance) C4'-P energy: -28.852
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -0.475
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: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -497.453269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.453269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.453269 (E_RNA)
where:
Base-Base interactions energy: -336.196
where: short stacking energy: -168.016
Base-Backbone interact. energy: -0.776
local terms energy: -160.480955
where:
bonds (distance) C4'-P energy: -29.607
bonds (distance) P-C4' energy: -27.754
flat angles C4'-P-C4' energy: -32.105
flat angles P-C4'-P energy: -24.587
tors. eta vs tors. theta energy: -46.429
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: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -506.924850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.924850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.924850 (E_RNA)
where:
Base-Base interactions energy: -332.103
where: short stacking energy: -156.062
Base-Backbone interact. energy: -0.780
local terms energy: -174.041544
where:
bonds (distance) C4'-P energy: -29.788
bonds (distance) P-C4' energy: -34.026
flat angles C4'-P-C4' energy: -35.430
flat angles P-C4'-P energy: -30.937
tors. eta vs tors. theta energy: -43.861
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: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -461.922487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.922487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.922487 (E_RNA)
where:
Base-Base interactions energy: -300.885
where: short stacking energy: -157.522
Base-Backbone interact. energy: -2.493
local terms energy: -158.544084
where:
bonds (distance) C4'-P energy: -31.552
bonds (distance) P-C4' energy: -33.042
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -38.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -467.143447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.143447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.143447 (E_RNA)
where:
Base-Base interactions energy: -305.450
where: short stacking energy: -162.439
Base-Backbone interact. energy: 0.332
local terms energy: -162.025027
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -36.969
flat angles P-C4'-P energy: -21.625
tors. eta vs tors. theta energy: -43.199
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: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -430.873452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.873452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.873452 (E_RNA)
where:
Base-Base interactions energy: -284.569
where: short stacking energy: -140.164
Base-Backbone interact. energy: 0.044
local terms energy: -146.348182
where:
bonds (distance) C4'-P energy: -26.893
bonds (distance) P-C4' energy: -31.041
flat angles C4'-P-C4' energy: -35.205
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -30.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -338.469798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.469798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.469798 (E_RNA)
where:
Base-Base interactions energy: -214.169
where: short stacking energy: -105.217
Base-Backbone interact. energy: -0.535
local terms energy: -123.765273
where:
bonds (distance) C4'-P energy: -28.837
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -30.063
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -27.339
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: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -261.239524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.239524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.239524 (E_RNA)
where:
Base-Base interactions energy: -141.071
where: short stacking energy: -73.519
Base-Backbone interact. energy: -1.678
local terms energy: -118.490356
where:
bonds (distance) C4'-P energy: -25.552
bonds (distance) P-C4' energy: -34.934
flat angles C4'-P-C4' energy: -27.818
flat angles P-C4'-P energy: -19.432
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: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -236.632364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.632364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.632364 (E_RNA)
where:
Base-Base interactions energy: -126.212
where: short stacking energy: -81.281
Base-Backbone interact. energy: 1.173
local terms energy: -111.593936
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -33.678
flat angles C4'-P-C4' energy: -24.505
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -10.211
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: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -192.504156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.504156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.504156 (E_RNA)
where:
Base-Base interactions energy: -73.297
where: short stacking energy: -58.908
Base-Backbone interact. energy: -1.563
local terms energy: -117.643529
where:
bonds (distance) C4'-P energy: -31.224
bonds (distance) P-C4' energy: -32.828
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -173.512831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.512831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.512831 (E_RNA)
where:
Base-Base interactions energy: -77.181
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.497
local terms energy: -95.834512
where:
bonds (distance) C4'-P energy: -24.987
bonds (distance) P-C4' energy: -35.694
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -519.130254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.130254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.130254 (E_RNA)
where:
Base-Base interactions energy: -347.548
where: short stacking energy: -173.373
Base-Backbone interact. energy: -0.334
local terms energy: -171.248500
where:
bonds (distance) C4'-P energy: -35.711
bonds (distance) P-C4' energy: -29.528
flat angles C4'-P-C4' energy: -37.914
flat angles P-C4'-P energy: -22.371
tors. eta vs tors. theta energy: -45.725
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: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -489.543075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.543075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.543075 (E_RNA)
where:
Base-Base interactions energy: -324.931
where: short stacking energy: -162.049
Base-Backbone interact. energy: 0.134
local terms energy: -164.746249
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -35.938
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: -44.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -472.491721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.491721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.491721 (E_RNA)
where:
Base-Base interactions energy: -306.289
where: short stacking energy: -162.582
Base-Backbone interact. energy: -2.249
local terms energy: -163.953838
where:
bonds (distance) C4'-P energy: -33.208
bonds (distance) P-C4' energy: -26.680
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -24.033
tors. eta vs tors. theta energy: -43.819
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: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -409.985173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.985173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.985173 (E_RNA)
where:
Base-Base interactions energy: -267.122
where: short stacking energy: -126.868
Base-Backbone interact. energy: -0.204
local terms energy: -142.658672
where:
bonds (distance) C4'-P energy: -25.934
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -34.628
flat angles P-C4'-P energy: -19.069
tors. eta vs tors. theta energy: -31.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -449.630396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.630396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.630396 (E_RNA)
where:
Base-Base interactions energy: -289.271
where: short stacking energy: -144.322
Base-Backbone interact. energy: -1.794
local terms energy: -158.565520
where:
bonds (distance) C4'-P energy: -27.542
bonds (distance) P-C4' energy: -28.961
flat angles C4'-P-C4' energy: -35.707
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -42.641
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: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -353.144809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.144809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.144809 (E_RNA)
where:
Base-Base interactions energy: -215.753
where: short stacking energy: -124.470
Base-Backbone interact. energy: -0.105
local terms energy: -137.286833
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -30.283
flat angles C4'-P-C4' energy: -35.088
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -28.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -266.093649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.093649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.093649 (E_RNA)
where:
Base-Base interactions energy: -145.412
where: short stacking energy: -90.140
Base-Backbone interact. energy: -0.806
local terms energy: -119.875672
where:
bonds (distance) C4'-P energy: -33.931
bonds (distance) P-C4' energy: -31.648
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -228.237834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.237834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.237834 (E_RNA)
where:
Base-Base interactions energy: -135.777
where: short stacking energy: -73.746
Base-Backbone interact. energy: 0.160
local terms energy: -92.620454
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -25.194
flat angles C4'-P-C4' energy: -29.797
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -0.909
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: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -167.027592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.027592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.027592 (E_RNA)
where:
Base-Base interactions energy: -65.446
where: short stacking energy: -64.757
Base-Backbone interact. energy: 0.435
local terms energy: -102.017000
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -31.515
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -5.462
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: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -155.286122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.286122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.286122 (E_RNA)
where:
Base-Base interactions energy: -57.596
where: short stacking energy: -50.215
Base-Backbone interact. energy: -0.170
local terms energy: -97.519949
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -27.272
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -518.301006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.301006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.301006 (E_RNA)
where:
Base-Base interactions energy: -351.270
where: short stacking energy: -173.498
Base-Backbone interact. energy: -0.381
local terms energy: -166.650318
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -34.421
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -44.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -493.983866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.983866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.983866 (E_RNA)
where:
Base-Base interactions energy: -330.958
where: short stacking energy: -161.100
Base-Backbone interact. energy: -0.589
local terms energy: -162.437206
where:
bonds (distance) C4'-P energy: -31.253
bonds (distance) P-C4' energy: -31.937
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -42.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -476.338096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.338096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.338096 (E_RNA)
where:
Base-Base interactions energy: -303.937
where: short stacking energy: -154.362
Base-Backbone interact. energy: -0.843
local terms energy: -171.558509
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -35.337
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -48.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -471.071434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.071434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.071434 (E_RNA)
where:
Base-Base interactions energy: -316.414
where: short stacking energy: -152.559
Base-Backbone interact. energy: -1.241
local terms energy: -153.416437
where:
bonds (distance) C4'-P energy: -26.314
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -34.099
flat angles P-C4'-P energy: -24.052
tors. eta vs tors. theta energy: -38.938
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: 29
Temperature: 1.100000
Total energy: -419.723556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.723556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.723556 (E_RNA)
where:
Base-Base interactions energy: -259.220
where: short stacking energy: -143.412
Base-Backbone interact. energy: -3.273
local terms energy: -157.230740
where:
bonds (distance) C4'-P energy: -34.772
bonds (distance) P-C4' energy: -31.624
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -42.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -387.125891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.125891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.125891 (E_RNA)
where:
Base-Base interactions energy: -238.629
where: short stacking energy: -115.940
Base-Backbone interact. energy: -2.630
local terms energy: -145.866896
where:
bonds (distance) C4'-P energy: -30.785
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -28.631
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -29.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -263.782898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.782898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.782898 (E_RNA)
where:
Base-Base interactions energy: -144.953
where: short stacking energy: -92.166
Base-Backbone interact. energy: -0.350
local terms energy: -118.479388
where:
bonds (distance) C4'-P energy: -29.620
bonds (distance) P-C4' energy: -30.448
flat angles C4'-P-C4' energy: -25.312
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -15.708
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: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -265.645032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.645032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.645032 (E_RNA)
where:
Base-Base interactions energy: -143.821
where: short stacking energy: -81.037
Base-Backbone interact. energy: -0.493
local terms energy: -121.330946
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -32.325
flat angles C4'-P-C4' energy: -32.226
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -191.175270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.175270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.175270 (E_RNA)
where:
Base-Base interactions energy: -86.066
where: short stacking energy: -66.330
Base-Backbone interact. energy: -1.519
local terms energy: -103.589716
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -177.327552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.327552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.327552 (E_RNA)
where:
Base-Base interactions energy: -67.753
where: short stacking energy: -54.714
Base-Backbone interact. energy: 1.116
local terms energy: -110.689787
where:
bonds (distance) C4'-P energy: -26.203
bonds (distance) P-C4' energy: -34.249
flat angles C4'-P-C4' energy: -27.400
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -9.404
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: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -512.291378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.291378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.291378 (E_RNA)
where:
Base-Base interactions energy: -331.098
where: short stacking energy: -166.762
Base-Backbone interact. energy: -0.479
local terms energy: -180.714033
where:
bonds (distance) C4'-P energy: -29.588
bonds (distance) P-C4' energy: -36.454
flat angles C4'-P-C4' energy: -38.290
flat angles P-C4'-P energy: -26.657
tors. eta vs tors. theta energy: -49.725
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: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -497.491141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.491141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.491141 (E_RNA)
where:
Base-Base interactions energy: -332.502
where: short stacking energy: -159.060
Base-Backbone interact. energy: -2.184
local terms energy: -162.804997
where:
bonds (distance) C4'-P energy: -30.942
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -33.845
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -45.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -470.214502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.214502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.214502 (E_RNA)
where:
Base-Base interactions energy: -311.183
where: short stacking energy: -150.711
Base-Backbone interact. energy: -1.276
local terms energy: -157.755422
where:
bonds (distance) C4'-P energy: -31.472
bonds (distance) P-C4' energy: -29.277
flat angles C4'-P-C4' energy: -28.363
flat angles P-C4'-P energy: -25.312
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: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -460.643731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.643731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.643731 (E_RNA)
where:
Base-Base interactions energy: -306.107
where: short stacking energy: -148.278
Base-Backbone interact. energy: -1.076
local terms energy: -153.461373
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -25.504
tors. eta vs tors. theta energy: -38.354
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: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -448.328584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.328584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.328584 (E_RNA)
where:
Base-Base interactions energy: -287.779
where: short stacking energy: -151.136
Base-Backbone interact. energy: -0.268
local terms energy: -160.281853
where:
bonds (distance) C4'-P energy: -28.522
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -35.202
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -42.221
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: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -403.856380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.856380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.856380 (E_RNA)
where:
Base-Base interactions energy: -260.459
where: short stacking energy: -131.306
Base-Backbone interact. energy: -0.915
local terms energy: -142.482429
where:
bonds (distance) C4'-P energy: -34.904
bonds (distance) P-C4' energy: -27.922
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -22.182
tors. eta vs tors. theta energy: -32.065
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: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -304.725165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.725165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.725165 (E_RNA)
where:
Base-Base interactions energy: -182.321
where: short stacking energy: -94.553
Base-Backbone interact. energy: 3.117
local terms energy: -125.520885
where:
bonds (distance) C4'-P energy: -33.973
bonds (distance) P-C4' energy: -29.651
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -20.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -248.529910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.529910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.529910 (E_RNA)
where:
Base-Base interactions energy: -130.089
where: short stacking energy: -76.889
Base-Backbone interact. energy: -1.305
local terms energy: -117.135981
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -31.175
flat angles C4'-P-C4' energy: -28.634
flat angles P-C4'-P energy: -26.268
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: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -165.907696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.907696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.907696 (E_RNA)
where:
Base-Base interactions energy: -68.273
where: short stacking energy: -62.826
Base-Backbone interact. energy: -0.268
local terms energy: -97.366223
where:
bonds (distance) C4'-P energy: -26.757
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -160.460488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.460488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.460488 (E_RNA)
where:
Base-Base interactions energy: -72.949
where: short stacking energy: -52.912
Base-Backbone interact. energy: -0.468
local terms energy: -87.043613
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -33.839
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -512.660372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.660372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.660372 (E_RNA)
where:
Base-Base interactions energy: -340.000
where: short stacking energy: -160.965
Base-Backbone interact. energy: -0.744
local terms energy: -171.916338
where:
bonds (distance) C4'-P energy: -33.497
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -39.206
flat angles P-C4'-P energy: -25.059
tors. eta vs tors. theta energy: -43.602
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: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -490.458301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.458301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.458301 (E_RNA)
where:
Base-Base interactions energy: -314.408
where: short stacking energy: -164.951
Base-Backbone interact. energy: -0.283
local terms energy: -175.767447
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -36.960
flat angles C4'-P-C4' energy: -38.383
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -45.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -474.484984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.484984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.484984 (E_RNA)
where:
Base-Base interactions energy: -318.754
where: short stacking energy: -159.284
Base-Backbone interact. energy: -0.442
local terms energy: -155.288523
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -29.794
flat angles C4'-P-C4' energy: -33.681
flat angles P-C4'-P energy: -25.900
tors. eta vs tors. theta energy: -37.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -489.700183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.700183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.700183 (E_RNA)
where:
Base-Base interactions energy: -321.761
where: short stacking energy: -157.860
Base-Backbone interact. energy: -0.908
local terms energy: -167.030419
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -30.920
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -25.962
tors. eta vs tors. theta energy: -48.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -438.499230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.499230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.499230 (E_RNA)
where:
Base-Base interactions energy: -288.833
where: short stacking energy: -164.992
Base-Backbone interact. energy: 0.374
local terms energy: -150.040143
where:
bonds (distance) C4'-P energy: -28.924
bonds (distance) P-C4' energy: -30.032
flat angles C4'-P-C4' energy: -29.822
flat angles P-C4'-P energy: -23.063
tors. eta vs tors. theta energy: -38.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -371.203719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.203719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.203719 (E_RNA)
where:
Base-Base interactions energy: -213.690
where: short stacking energy: -116.273
Base-Backbone interact. energy: -0.556
local terms energy: -156.957362
where:
bonds (distance) C4'-P energy: -32.279
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -35.195
flat angles P-C4'-P energy: -22.396
tors. eta vs tors. theta energy: -35.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -288.383457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.383457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.383457 (E_RNA)
where:
Base-Base interactions energy: -166.257
where: short stacking energy: -85.858
Base-Backbone interact. energy: -0.674
local terms energy: -121.452527
where:
bonds (distance) C4'-P energy: -28.361
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -18.640
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: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -254.492766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.492766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.492766 (E_RNA)
where:
Base-Base interactions energy: -139.335
where: short stacking energy: -98.608
Base-Backbone interact. energy: -0.496
local terms energy: -114.662302
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -29.197
flat angles C4'-P-C4' energy: -25.583
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -174.051494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.051494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.051494 (E_RNA)
where:
Base-Base interactions energy: -68.009
where: short stacking energy: -64.347
Base-Backbone interact. energy: -1.096
local terms energy: -104.946309
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -38.690
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -162.089558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.089558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.089558 (E_RNA)
where:
Base-Base interactions energy: -72.642
where: short stacking energy: -67.886
Base-Backbone interact. energy: -0.685
local terms energy: -88.762522
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -26.297
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -0.810
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: 32
Temperature: 0.900000
Total energy: -517.782238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.782238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.782238 (E_RNA)
where:
Base-Base interactions energy: -342.933
where: short stacking energy: -176.296
Base-Backbone interact. energy: -0.789
local terms energy: -174.060921
where:
bonds (distance) C4'-P energy: -32.238
bonds (distance) P-C4' energy: -36.685
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -45.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -495.671744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.671744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.671744 (E_RNA)
where:
Base-Base interactions energy: -320.628
where: short stacking energy: -157.748
Base-Backbone interact. energy: -1.282
local terms energy: -173.762379
where:
bonds (distance) C4'-P energy: -32.764
bonds (distance) P-C4' energy: -36.060
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -45.119
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: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -499.593949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.593949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.593949 (E_RNA)
where:
Base-Base interactions energy: -337.467
where: short stacking energy: -169.115
Base-Backbone interact. energy: 0.569
local terms energy: -162.696285
where:
bonds (distance) C4'-P energy: -30.173
bonds (distance) P-C4' energy: -31.337
flat angles C4'-P-C4' energy: -29.667
flat angles P-C4'-P energy: -23.542
tors. eta vs tors. theta energy: -47.977
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: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -475.613319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.613319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.613319 (E_RNA)
where:
Base-Base interactions energy: -324.230
where: short stacking energy: -154.047
Base-Backbone interact. energy: -1.702
local terms energy: -149.681445
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -29.729
flat angles C4'-P-C4' energy: -27.647
flat angles P-C4'-P energy: -23.460
tors. eta vs tors. theta energy: -41.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -424.838801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.838801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.838801 (E_RNA)
where:
Base-Base interactions energy: -275.840
where: short stacking energy: -152.883
Base-Backbone interact. energy: 2.483
local terms energy: -151.482298
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -24.895
flat angles C4'-P-C4' energy: -35.820
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -35.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -355.022994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.022994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.022994 (E_RNA)
where:
Base-Base interactions energy: -228.799
where: short stacking energy: -114.487
Base-Backbone interact. energy: 0.271
local terms energy: -126.494434
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -23.286
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: 32
Temperature: 1.200000
Total energy: -261.845209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.845209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.845209 (E_RNA)
where:
Base-Base interactions energy: -136.754
where: short stacking energy: -76.575
Base-Backbone interact. energy: -0.568
local terms energy: -124.522771
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -26.567
flat angles C4'-P-C4' energy: -28.031
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -276.243739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.243739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.243739 (E_RNA)
where:
Base-Base interactions energy: -164.494
where: short stacking energy: -90.915
Base-Backbone interact. energy: -0.262
local terms energy: -111.488128
where:
bonds (distance) C4'-P energy: -30.013
bonds (distance) P-C4' energy: -26.724
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -165.373167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.373167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.373167 (E_RNA)
where:
Base-Base interactions energy: -72.594
where: short stacking energy: -66.962
Base-Backbone interact. energy: 0.441
local terms energy: -93.220579
where:
bonds (distance) C4'-P energy: -24.471
bonds (distance) P-C4' energy: -32.625
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -151.583141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.583141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.583141 (E_RNA)
where:
Base-Base interactions energy: -57.641
where: short stacking energy: -51.730
Base-Backbone interact. energy: -0.409
local terms energy: -93.533170
where:
bonds (distance) C4'-P energy: -27.992
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -521.462419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.462419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.462419 (E_RNA)
where:
Base-Base interactions energy: -345.315
where: short stacking energy: -183.199
Base-Backbone interact. energy: 0.810
local terms energy: -176.957247
where:
bonds (distance) C4'-P energy: -33.829
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -39.444
flat angles P-C4'-P energy: -25.784
tors. eta vs tors. theta energy: -44.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -517.961291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.961291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.961291 (E_RNA)
where:
Base-Base interactions energy: -348.221
where: short stacking energy: -174.498
Base-Backbone interact. energy: -0.403
local terms energy: -169.336936
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -32.255
flat angles C4'-P-C4' energy: -39.899
flat angles P-C4'-P energy: -26.274
tors. eta vs tors. theta energy: -45.522
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: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -475.170227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.170227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.170227 (E_RNA)
where:
Base-Base interactions energy: -313.426
where: short stacking energy: -171.848
Base-Backbone interact. energy: -1.109
local terms energy: -160.635613
where:
bonds (distance) C4'-P energy: -27.520
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -22.897
tors. eta vs tors. theta energy: -48.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -406.048526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.048526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.048526 (E_RNA)
where:
Base-Base interactions energy: -258.045
where: short stacking energy: -137.723
Base-Backbone interact. energy: -0.104
local terms energy: -147.899389
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -25.202
flat angles C4'-P-C4' energy: -34.743
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -34.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -460.868792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.868792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.868792 (E_RNA)
where:
Base-Base interactions energy: -307.020
where: short stacking energy: -145.461
Base-Backbone interact. energy: -1.565
local terms energy: -152.284056
where:
bonds (distance) C4'-P energy: -29.328
bonds (distance) P-C4' energy: -29.426
flat angles C4'-P-C4' energy: -31.013
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: -40.119
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: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -377.123497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.123497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.123497 (E_RNA)
where:
Base-Base interactions energy: -247.861
where: short stacking energy: -102.275
Base-Backbone interact. energy: -0.696
local terms energy: -128.565713
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -29.128
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -29.286
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: 33
Temperature: 1.200000
Total energy: -249.320679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.320679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.320679 (E_RNA)
where:
Base-Base interactions energy: -136.764
where: short stacking energy: -71.230
Base-Backbone interact. energy: -0.411
local terms energy: -112.146487
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -34.507
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -12.908
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: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -304.630894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.630894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.630894 (E_RNA)
where:
Base-Base interactions energy: -179.775
where: short stacking energy: -97.062
Base-Backbone interact. energy: -0.281
local terms energy: -124.574628
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -31.028
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -183.194437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.194437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.194437 (E_RNA)
where:
Base-Base interactions energy: -76.513
where: short stacking energy: -55.795
Base-Backbone interact. energy: -1.060
local terms energy: -105.621447
where:
bonds (distance) C4'-P energy: -25.214
bonds (distance) P-C4' energy: -31.010
flat angles C4'-P-C4' energy: -28.405
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -150.127430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.127430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.127430 (E_RNA)
where:
Base-Base interactions energy: -57.172
where: short stacking energy: -55.201
Base-Backbone interact. energy: -1.164
local terms energy: -91.791844
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -26.285
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: 4.255
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: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -532.661423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.661423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.661423 (E_RNA)
where:
Base-Base interactions energy: -362.436
where: short stacking energy: -168.736
Base-Backbone interact. energy: -0.068
local terms energy: -170.157262
where:
bonds (distance) C4'-P energy: -27.784
bonds (distance) P-C4' energy: -33.379
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -27.108
tors. eta vs tors. theta energy: -50.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -516.124105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.124105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.124105 (E_RNA)
where:
Base-Base interactions energy: -355.451
where: short stacking energy: -182.038
Base-Backbone interact. energy: -0.741
local terms energy: -159.931826
where:
bonds (distance) C4'-P energy: -31.026
bonds (distance) P-C4' energy: -31.772
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -28.226
tors. eta vs tors. theta energy: -38.950
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: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -465.893661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.893661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.893661 (E_RNA)
where:
Base-Base interactions energy: -308.446
where: short stacking energy: -155.753
Base-Backbone interact. energy: -0.672
local terms energy: -156.775434
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -46.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -423.068639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.068639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.068639 (E_RNA)
where:
Base-Base interactions energy: -279.716
where: short stacking energy: -142.041
Base-Backbone interact. energy: 2.844
local terms energy: -146.197437
where:
bonds (distance) C4'-P energy: -24.691
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -33.694
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -40.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -475.605152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.605152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.605152 (E_RNA)
where:
Base-Base interactions energy: -314.301
where: short stacking energy: -156.719
Base-Backbone interact. energy: -0.861
local terms energy: -160.443113
where:
bonds (distance) C4'-P energy: -27.047
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -36.499
flat angles P-C4'-P energy: -23.832
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: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -381.993426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.993426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.993426 (E_RNA)
where:
Base-Base interactions energy: -242.359
where: short stacking energy: -125.282
Base-Backbone interact. energy: -0.063
local terms energy: -139.571044
where:
bonds (distance) C4'-P energy: -24.791
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -35.058
flat angles P-C4'-P energy: -17.277
tors. eta vs tors. theta energy: -30.606
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: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -349.623749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.623749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.623749 (E_RNA)
where:
Base-Base interactions energy: -223.084
where: short stacking energy: -112.993
Base-Backbone interact. energy: -1.028
local terms energy: -125.512150
where:
bonds (distance) C4'-P energy: -30.251
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -24.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -226.883240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.883240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.883240 (E_RNA)
where:
Base-Base interactions energy: -119.121
where: short stacking energy: -80.989
Base-Backbone interact. energy: -0.885
local terms energy: -106.877234
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -32.792
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -7.862
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: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -188.762401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.762401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.762401 (E_RNA)
where:
Base-Base interactions energy: -79.753
where: short stacking energy: -67.639
Base-Backbone interact. energy: -1.655
local terms energy: -107.354992
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -30.658
flat angles P-C4'-P energy: -23.768
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: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -159.458825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.458825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.458825 (E_RNA)
where:
Base-Base interactions energy: -60.277
where: short stacking energy: -51.584
Base-Backbone interact. energy: -0.589
local terms energy: -98.592627
where:
bonds (distance) C4'-P energy: -27.800
bonds (distance) P-C4' energy: -35.053
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -542.670282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.670282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.670282 (E_RNA)
where:
Base-Base interactions energy: -367.847
where: short stacking energy: -187.316
Base-Backbone interact. energy: -0.947
local terms energy: -173.876265
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -32.026
flat angles C4'-P-C4' energy: -38.176
flat angles P-C4'-P energy: -20.219
tors. eta vs tors. theta energy: -53.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -501.375712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.375712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.375712 (E_RNA)
where:
Base-Base interactions energy: -337.084
where: short stacking energy: -173.402
Base-Backbone interact. energy: -0.286
local terms energy: -164.005569
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -33.673
flat angles P-C4'-P energy: -26.168
tors. eta vs tors. theta energy: -42.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -461.243645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.243645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.243645 (E_RNA)
where:
Base-Base interactions energy: -307.057
where: short stacking energy: -158.723
Base-Backbone interact. energy: -0.039
local terms energy: -154.146888
where:
bonds (distance) C4'-P energy: -32.260
bonds (distance) P-C4' energy: -35.866
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -22.636
tors. eta vs tors. theta energy: -42.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -482.608486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.608486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.608486 (E_RNA)
where:
Base-Base interactions energy: -315.133
where: short stacking energy: -164.281
Base-Backbone interact. energy: -1.553
local terms energy: -165.922881
where:
bonds (distance) C4'-P energy: -29.245
bonds (distance) P-C4' energy: -33.955
flat angles C4'-P-C4' energy: -34.858
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -49.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -413.682620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.682620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.682620 (E_RNA)
where:
Base-Base interactions energy: -259.430
where: short stacking energy: -130.630
Base-Backbone interact. energy: -0.915
local terms energy: -153.337796
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -29.481
flat angles C4'-P-C4' energy: -35.941
flat angles P-C4'-P energy: -25.886
tors. eta vs tors. theta energy: -35.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -385.001926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.001926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.001926 (E_RNA)
where:
Base-Base interactions energy: -248.704
where: short stacking energy: -113.983
Base-Backbone interact. energy: -1.738
local terms energy: -134.560130
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -31.117
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -366.426202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.426202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.426202 (E_RNA)
where:
Base-Base interactions energy: -236.208
where: short stacking energy: -123.321
Base-Backbone interact. energy: -0.175
local terms energy: -130.042898
where:
bonds (distance) C4'-P energy: -27.138
bonds (distance) P-C4' energy: -27.861
flat angles C4'-P-C4' energy: -30.885
flat angles P-C4'-P energy: -22.199
tors. eta vs tors. theta energy: -21.960
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: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -227.593825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.593825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.593825 (E_RNA)
where:
Base-Base interactions energy: -127.894
where: short stacking energy: -80.835
Base-Backbone interact. energy: 2.476
local terms energy: -102.175986
where:
bonds (distance) C4'-P energy: -28.416
bonds (distance) P-C4' energy: -27.069
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -166.074591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.074591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.074591 (E_RNA)
where:
Base-Base interactions energy: -70.825
where: short stacking energy: -55.174
Base-Backbone interact. energy: -0.472
local terms energy: -94.778450
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -2.091
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: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -154.057515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.057515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.057515 (E_RNA)
where:
Base-Base interactions energy: -53.716
where: short stacking energy: -41.179
Base-Backbone interact. energy: -0.592
local terms energy: -99.749367
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: 8.312
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: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -550.776031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.776031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.776031 (E_RNA)
where:
Base-Base interactions energy: -368.361
where: short stacking energy: -182.012
Base-Backbone interact. energy: 1.492
local terms energy: -183.906397
where:
bonds (distance) C4'-P energy: -33.095
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -38.410
flat angles P-C4'-P energy: -28.202
tors. eta vs tors. theta energy: -52.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -507.587577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.587577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.587577 (E_RNA)
where:
Base-Base interactions energy: -340.478
where: short stacking energy: -162.320
Base-Backbone interact. energy: -0.093
local terms energy: -167.017127
where:
bonds (distance) C4'-P energy: -31.783
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -37.716
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -40.692
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: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -498.888731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.888731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.888731 (E_RNA)
where:
Base-Base interactions energy: -334.308
where: short stacking energy: -163.955
Base-Backbone interact. energy: -1.037
local terms energy: -163.543777
where:
bonds (distance) C4'-P energy: -28.177
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -36.529
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -46.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -467.638697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.638697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.638697 (E_RNA)
where:
Base-Base interactions energy: -304.626
where: short stacking energy: -146.486
Base-Backbone interact. energy: -1.224
local terms energy: -161.788211
where:
bonds (distance) C4'-P energy: -35.388
bonds (distance) P-C4' energy: -31.758
flat angles C4'-P-C4' energy: -31.679
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -40.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -407.555409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.555409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.555409 (E_RNA)
where:
Base-Base interactions energy: -269.987
where: short stacking energy: -144.105
Base-Backbone interact. energy: -0.447
local terms energy: -137.121269
where:
bonds (distance) C4'-P energy: -30.288
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -29.109
flat angles P-C4'-P energy: -22.889
tors. eta vs tors. theta energy: -28.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -407.125205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.125205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.125205 (E_RNA)
where:
Base-Base interactions energy: -249.958
where: short stacking energy: -136.271
Base-Backbone interact. energy: -0.341
local terms energy: -156.825628
where:
bonds (distance) C4'-P energy: -30.865
bonds (distance) P-C4' energy: -31.177
flat angles C4'-P-C4' energy: -33.236
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -39.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -399.582828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.582828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.582828 (E_RNA)
where:
Base-Base interactions energy: -268.961
where: short stacking energy: -135.967
Base-Backbone interact. energy: -1.447
local terms energy: -129.174436
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -30.636
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -33.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -215.516688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.516688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.516688 (E_RNA)
where:
Base-Base interactions energy: -120.780
where: short stacking energy: -75.711
Base-Backbone interact. energy: 0.817
local terms energy: -95.554232
where:
bonds (distance) C4'-P energy: -31.857
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -24.765
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -184.055461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.055461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.055461 (E_RNA)
where:
Base-Base interactions energy: -78.737
where: short stacking energy: -77.005
Base-Backbone interact. energy: 2.363
local terms energy: -107.681974
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -34.163
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -169.033181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.033181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.033181 (E_RNA)
where:
Base-Base interactions energy: -57.339
where: short stacking energy: -57.153
Base-Backbone interact. energy: -0.198
local terms energy: -111.496171
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -27.373
flat angles C4'-P-C4' energy: -26.988
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -544.768280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.768280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.768280 (E_RNA)
where:
Base-Base interactions energy: -367.092
where: short stacking energy: -176.046
Base-Backbone interact. energy: -1.930
local terms energy: -175.745543
where:
bonds (distance) C4'-P energy: -33.734
bonds (distance) P-C4' energy: -26.120
flat angles C4'-P-C4' energy: -38.454
flat angles P-C4'-P energy: -23.242
tors. eta vs tors. theta energy: -54.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -496.358096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.358096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.358096 (E_RNA)
where:
Base-Base interactions energy: -334.051
where: short stacking energy: -169.219
Base-Backbone interact. energy: -1.491
local terms energy: -160.816212
where:
bonds (distance) C4'-P energy: -25.867
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -35.889
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -42.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -487.067291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.067291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.067291 (E_RNA)
where:
Base-Base interactions energy: -325.516
where: short stacking energy: -153.676
Base-Backbone interact. energy: 0.268
local terms energy: -161.818886
where:
bonds (distance) C4'-P energy: -32.386
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -27.705
flat angles P-C4'-P energy: -23.356
tors. eta vs tors. theta energy: -46.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -459.034187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.034187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.034187 (E_RNA)
where:
Base-Base interactions energy: -302.715
where: short stacking energy: -149.812
Base-Backbone interact. energy: 5.692
local terms energy: -162.011485
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -26.477
tors. eta vs tors. theta energy: -41.548
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: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -427.428629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.428629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.428629 (E_RNA)
where:
Base-Base interactions energy: -275.511
where: short stacking energy: -134.249
Base-Backbone interact. energy: -1.469
local terms energy: -150.449437
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -29.529
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -24.769
tors. eta vs tors. theta energy: -37.763
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: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -428.452714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.452714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.452714 (E_RNA)
where:
Base-Base interactions energy: -272.234
where: short stacking energy: -135.584
Base-Backbone interact. energy: -1.078
local terms energy: -155.141347
where:
bonds (distance) C4'-P energy: -30.332
bonds (distance) P-C4' energy: -32.006
flat angles C4'-P-C4' energy: -30.362
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -37.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -373.468239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.468239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.468239 (E_RNA)
where:
Base-Base interactions energy: -249.678
where: short stacking energy: -136.322
Base-Backbone interact. energy: -0.024
local terms energy: -123.766014
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -32.421
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -24.316
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: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -220.587109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.587109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.587109 (E_RNA)
where:
Base-Base interactions energy: -109.834
where: short stacking energy: -59.408
Base-Backbone interact. energy: -0.165
local terms energy: -110.588533
where:
bonds (distance) C4'-P energy: -26.650
bonds (distance) P-C4' energy: -30.392
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -9.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -166.820861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.820861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.820861 (E_RNA)
where:
Base-Base interactions energy: -76.268
where: short stacking energy: -53.022
Base-Backbone interact. energy: -0.741
local terms energy: -89.811452
where:
bonds (distance) C4'-P energy: -25.577
bonds (distance) P-C4' energy: -25.249
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -143.718462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.718462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.718462 (E_RNA)
where:
Base-Base interactions energy: -55.341
where: short stacking energy: -48.941
Base-Backbone interact. energy: 0.111
local terms energy: -88.488862
where:
bonds (distance) C4'-P energy: -30.913
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: 6.351
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: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -548.600898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.600898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.600898 (E_RNA)
where:
Base-Base interactions energy: -364.008
where: short stacking energy: -176.282
Base-Backbone interact. energy: -0.912
local terms energy: -183.681514
where:
bonds (distance) C4'-P energy: -31.305
bonds (distance) P-C4' energy: -37.163
flat angles C4'-P-C4' energy: -36.206
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: -52.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -511.886443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.886443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.886443 (E_RNA)
where:
Base-Base interactions energy: -347.617
where: short stacking energy: -174.187
Base-Backbone interact. energy: 0.284
local terms energy: -164.553737
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -34.899
flat angles C4'-P-C4' energy: -34.061
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -43.712
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: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -486.047298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.047298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.047298 (E_RNA)
where:
Base-Base interactions energy: -323.383
where: short stacking energy: -161.480
Base-Backbone interact. energy: -0.399
local terms energy: -162.265900
where:
bonds (distance) C4'-P energy: -32.565
bonds (distance) P-C4' energy: -26.484
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -27.677
tors. eta vs tors. theta energy: -46.362
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: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -448.126550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.126550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.126550 (E_RNA)
where:
Base-Base interactions energy: -299.860
where: short stacking energy: -152.223
Base-Backbone interact. energy: -0.788
local terms energy: -147.478266
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -35.470
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -37.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -436.335335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.335335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.335335 (E_RNA)
where:
Base-Base interactions energy: -283.851
where: short stacking energy: -137.403
Base-Backbone interact. energy: -0.082
local terms energy: -152.402448
where:
bonds (distance) C4'-P energy: -28.986
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -35.527
flat angles P-C4'-P energy: -20.161
tors. eta vs tors. theta energy: -39.324
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: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -358.215235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.215235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.215235 (E_RNA)
where:
Base-Base interactions energy: -231.286
where: short stacking energy: -102.643
Base-Backbone interact. energy: -1.147
local terms energy: -125.782049
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -35.473
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -20.009
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: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -363.392359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.392359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.392359 (E_RNA)
where:
Base-Base interactions energy: -233.118
where: short stacking energy: -124.014
Base-Backbone interact. energy: -0.300
local terms energy: -129.974357
where:
bonds (distance) C4'-P energy: -26.459
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -33.596
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: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -250.158674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.158674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.158674 (E_RNA)
where:
Base-Base interactions energy: -130.015
where: short stacking energy: -81.775
Base-Backbone interact. energy: -0.182
local terms energy: -119.962174
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -32.448
flat angles C4'-P-C4' energy: -26.148
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -161.353072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.353072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.353072 (E_RNA)
where:
Base-Base interactions energy: -63.902
where: short stacking energy: -58.763
Base-Backbone interact. energy: -0.446
local terms energy: -97.005210
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -4.558
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: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -156.007517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.007517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.007517 (E_RNA)
where:
Base-Base interactions energy: -59.010
where: short stacking energy: -51.367
Base-Backbone interact. energy: -0.155
local terms energy: -96.843090
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -30.173
flat angles C4'-P-C4' energy: -31.450
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: 9.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -552.058662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.058662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.058662 (E_RNA)
where:
Base-Base interactions energy: -361.695
where: short stacking energy: -173.376
Base-Backbone interact. energy: -0.863
local terms energy: -189.500709
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -36.376
flat angles C4'-P-C4' energy: -36.139
flat angles P-C4'-P energy: -25.887
tors. eta vs tors. theta energy: -53.739
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: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -502.853104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.853104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.853104 (E_RNA)
where:
Base-Base interactions energy: -335.291
where: short stacking energy: -164.859
Base-Backbone interact. energy: -0.290
local terms energy: -167.272605
where:
bonds (distance) C4'-P energy: -36.055
bonds (distance) P-C4' energy: -33.756
flat angles C4'-P-C4' energy: -34.123
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -41.699
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: 39
Temperature: 1.000000
Total energy: -501.950551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.950551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.950551 (E_RNA)
where:
Base-Base interactions energy: -345.835
where: short stacking energy: -168.454
Base-Backbone interact. energy: -0.502
local terms energy: -155.613439
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -32.171
flat angles C4'-P-C4' energy: -36.355
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -44.023
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: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -452.643667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.643667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.643667 (E_RNA)
where:
Base-Base interactions energy: -297.569
where: short stacking energy: -138.088
Base-Backbone interact. energy: 1.038
local terms energy: -156.112832
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -30.434
flat angles C4'-P-C4' energy: -36.065
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -34.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -444.139360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.139360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.139360 (E_RNA)
where:
Base-Base interactions energy: -275.967
where: short stacking energy: -135.712
Base-Backbone interact. energy: -0.649
local terms energy: -167.523452
where:
bonds (distance) C4'-P energy: -28.948
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -35.588
flat angles P-C4'-P energy: -28.155
tors. eta vs tors. theta energy: -42.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -397.733268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.733268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.733268 (E_RNA)
where:
Base-Base interactions energy: -253.212
where: short stacking energy: -138.086
Base-Backbone interact. energy: 0.621
local terms energy: -145.141842
where:
bonds (distance) C4'-P energy: -30.357
bonds (distance) P-C4' energy: -28.222
flat angles C4'-P-C4' energy: -38.224
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -36.016
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: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -343.621332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.621332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.621332 (E_RNA)
where:
Base-Base interactions energy: -220.328
where: short stacking energy: -118.912
Base-Backbone interact. energy: -0.871
local terms energy: -122.422461
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -28.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -249.332647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.332647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.332647 (E_RNA)
where:
Base-Base interactions energy: -138.423
where: short stacking energy: -88.529
Base-Backbone interact. energy: -0.490
local terms energy: -110.420167
where:
bonds (distance) C4'-P energy: -24.678
bonds (distance) P-C4' energy: -29.526
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -15.478
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: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -224.762414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.762414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.762414 (E_RNA)
where:
Base-Base interactions energy: -126.828
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.386
local terms energy: -97.548917
where:
bonds (distance) C4'-P energy: -27.942
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -1.667
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: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -169.671323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.671323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.671323 (E_RNA)
where:
Base-Base interactions energy: -61.071
where: short stacking energy: -61.071
Base-Backbone interact. energy: -0.628
local terms energy: -107.972504
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -3.046
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: 40
Temperature: 0.900000
Total energy: -555.446631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.446631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.446631 (E_RNA)
where:
Base-Base interactions energy: -372.963
where: short stacking energy: -183.004
Base-Backbone interact. energy: -0.336
local terms energy: -182.147251
where:
bonds (distance) C4'-P energy: -31.699
bonds (distance) P-C4' energy: -31.938
flat angles C4'-P-C4' energy: -38.533
flat angles P-C4'-P energy: -26.527
tors. eta vs tors. theta energy: -53.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -501.880147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.880147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.880147 (E_RNA)
where:
Base-Base interactions energy: -332.239
where: short stacking energy: -159.913
Base-Backbone interact. energy: -1.321
local terms energy: -168.320338
where:
bonds (distance) C4'-P energy: -34.885
bonds (distance) P-C4' energy: -28.175
flat angles C4'-P-C4' energy: -33.916
flat angles P-C4'-P energy: -22.228
tors. eta vs tors. theta energy: -49.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -496.883053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.883053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.883053 (E_RNA)
where:
Base-Base interactions energy: -331.495
where: short stacking energy: -150.720
Base-Backbone interact. energy: -0.955
local terms energy: -164.433476
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -31.389
flat angles C4'-P-C4' energy: -35.498
flat angles P-C4'-P energy: -27.272
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -455.779440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.779440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.779440 (E_RNA)
where:
Base-Base interactions energy: -302.294
where: short stacking energy: -161.728
Base-Backbone interact. energy: -0.855
local terms energy: -152.630762
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -27.869
flat angles P-C4'-P energy: -23.413
tors. eta vs tors. theta energy: -45.958
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: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -443.913448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.913448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.913448 (E_RNA)
where:
Base-Base interactions energy: -296.096
where: short stacking energy: -147.751
Base-Backbone interact. energy: -0.298
local terms energy: -147.518982
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -34.795
flat angles C4'-P-C4' energy: -31.933
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -41.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -379.828772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.828772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.828772 (E_RNA)
where:
Base-Base interactions energy: -245.448
where: short stacking energy: -133.485
Base-Backbone interact. energy: -0.259
local terms energy: -134.121198
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -27.049
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -29.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -325.058206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.058206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.058206 (E_RNA)
where:
Base-Base interactions energy: -204.870
where: short stacking energy: -105.147
Base-Backbone interact. energy: -0.226
local terms energy: -119.962441
where:
bonds (distance) C4'-P energy: -29.101
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -268.533572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.533572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.533572 (E_RNA)
where:
Base-Base interactions energy: -147.970
where: short stacking energy: -78.007
Base-Backbone interact. energy: -0.669
local terms energy: -119.894837
where:
bonds (distance) C4'-P energy: -31.192
bonds (distance) P-C4' energy: -30.595
flat angles C4'-P-C4' energy: -25.142
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -15.989
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: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -187.787833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.787833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.787833 (E_RNA)
where:
Base-Base interactions energy: -71.602
where: short stacking energy: -70.896
Base-Backbone interact. energy: -0.318
local terms energy: -115.868631
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -27.399
flat angles P-C4'-P energy: -18.045
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: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -163.883257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.883257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.883257 (E_RNA)
where:
Base-Base interactions energy: -62.613
where: short stacking energy: -59.777
Base-Backbone interact. energy: 0.466
local terms energy: -101.736059
where:
bonds (distance) C4'-P energy: -27.619
bonds (distance) P-C4' energy: -29.266
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -552.835355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.835355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.835355 (E_RNA)
where:
Base-Base interactions energy: -380.525
where: short stacking energy: -180.917
Base-Backbone interact. energy: -1.572
local terms energy: -170.738363
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -36.844
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -50.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -517.603173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.603173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.603173 (E_RNA)
where:
Base-Base interactions energy: -344.841
where: short stacking energy: -153.453
Base-Backbone interact. energy: -1.560
local terms energy: -171.202002
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -33.085
flat angles C4'-P-C4' energy: -37.461
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: -44.279
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: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -496.723325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.723325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.723325 (E_RNA)
where:
Base-Base interactions energy: -331.799
where: short stacking energy: -160.688
Base-Backbone interact. energy: -0.773
local terms energy: -164.150696
where:
bonds (distance) C4'-P energy: -25.138
bonds (distance) P-C4' energy: -38.705
flat angles C4'-P-C4' energy: -32.141
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: -42.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -470.156821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.156821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.156821 (E_RNA)
where:
Base-Base interactions energy: -300.214
where: short stacking energy: -157.007
Base-Backbone interact. energy: -0.031
local terms energy: -169.912626
where:
bonds (distance) C4'-P energy: -31.938
bonds (distance) P-C4' energy: -37.008
flat angles C4'-P-C4' energy: -29.834
flat angles P-C4'-P energy: -24.552
tors. eta vs tors. theta energy: -46.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -439.224814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.224814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.224814 (E_RNA)
where:
Base-Base interactions energy: -290.711
where: short stacking energy: -144.925
Base-Backbone interact. energy: -1.062
local terms energy: -147.451031
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -30.682
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -21.539
tors. eta vs tors. theta energy: -33.540
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: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -319.219534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.219534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.219534 (E_RNA)
where:
Base-Base interactions energy: -185.623
where: short stacking energy: -110.878
Base-Backbone interact. energy: -0.763
local terms energy: -132.833532
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -27.242
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -27.276
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: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -400.448918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.448918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.448918 (E_RNA)
where:
Base-Base interactions energy: -269.165
where: short stacking energy: -115.544
Base-Backbone interact. energy: -0.404
local terms energy: -130.879570
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -27.346
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: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -263.870107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.870107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.870107 (E_RNA)
where:
Base-Base interactions energy: -160.267
where: short stacking energy: -80.624
Base-Backbone interact. energy: -0.870
local terms energy: -102.733189
where:
bonds (distance) C4'-P energy: -32.702
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -25.626
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -5.864
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: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -170.978953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.978953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.978953 (E_RNA)
where:
Base-Base interactions energy: -63.635
where: short stacking energy: -63.635
Base-Backbone interact. energy: -0.187
local terms energy: -107.157424
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -29.922
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -11.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -160.293394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.293394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.293394 (E_RNA)
where:
Base-Base interactions energy: -59.499
where: short stacking energy: -54.042
Base-Backbone interact. energy: -0.565
local terms energy: -100.230024
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -26.273
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: 0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -565.745533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.745533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.745533 (E_RNA)
where:
Base-Base interactions energy: -382.292
where: short stacking energy: -192.743
Base-Backbone interact. energy: -0.600
local terms energy: -182.853118
where:
bonds (distance) C4'-P energy: -32.972
bonds (distance) P-C4' energy: -29.584
flat angles C4'-P-C4' energy: -35.197
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -56.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -502.107685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.107685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.107685 (E_RNA)
where:
Base-Base interactions energy: -331.947
where: short stacking energy: -168.415
Base-Backbone interact. energy: -1.212
local terms energy: -168.948773
where:
bonds (distance) C4'-P energy: -34.326
bonds (distance) P-C4' energy: -28.586
flat angles C4'-P-C4' energy: -34.476
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -45.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -475.385456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.385456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.385456 (E_RNA)
where:
Base-Base interactions energy: -308.106
where: short stacking energy: -159.839
Base-Backbone interact. energy: -0.095
local terms energy: -167.184026
where:
bonds (distance) C4'-P energy: -31.298
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -34.697
flat angles P-C4'-P energy: -22.902
tors. eta vs tors. theta energy: -46.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -485.406671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.406671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.406671 (E_RNA)
where:
Base-Base interactions energy: -327.768
where: short stacking energy: -161.079
Base-Backbone interact. energy: -1.087
local terms energy: -156.551576
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -35.932
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -44.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -468.461888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.461888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.461888 (E_RNA)
where:
Base-Base interactions energy: -316.642
where: short stacking energy: -155.301
Base-Backbone interact. energy: -1.394
local terms energy: -150.426039
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -36.743
flat angles P-C4'-P energy: -22.553
tors. eta vs tors. theta energy: -38.791
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: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -330.733978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.733978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.733978 (E_RNA)
where:
Base-Base interactions energy: -200.885
where: short stacking energy: -100.269
Base-Backbone interact. energy: -2.296
local terms energy: -127.552921
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -30.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -347.830385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.830385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.830385 (E_RNA)
where:
Base-Base interactions energy: -214.599
where: short stacking energy: -112.649
Base-Backbone interact. energy: -0.296
local terms energy: -132.935919
where:
bonds (distance) C4'-P energy: -25.361
bonds (distance) P-C4' energy: -29.399
flat angles C4'-P-C4' energy: -34.326
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -21.745
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: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -222.374111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.374111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.374111 (E_RNA)
where:
Base-Base interactions energy: -108.185
where: short stacking energy: -70.443
Base-Backbone interact. energy: -0.685
local terms energy: -113.504113
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -35.269
flat angles C4'-P-C4' energy: -27.364
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -10.585
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: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -176.005358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.005358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.005358 (E_RNA)
where:
Base-Base interactions energy: -72.325
where: short stacking energy: -72.325
Base-Backbone interact. energy: 2.849
local terms energy: -106.529366
where:
bonds (distance) C4'-P energy: -29.337
bonds (distance) P-C4' energy: -33.405
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -186.881815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.881815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.881815 (E_RNA)
where:
Base-Base interactions energy: -86.742
where: short stacking energy: -66.937
Base-Backbone interact. energy: -0.431
local terms energy: -99.708987
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -7.199
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: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -547.061457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.061457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.061457 (E_RNA)
where:
Base-Base interactions energy: -373.534
where: short stacking energy: -177.364
Base-Backbone interact. energy: -0.107
local terms energy: -173.420712
where:
bonds (distance) C4'-P energy: -33.398
bonds (distance) P-C4' energy: -31.279
flat angles C4'-P-C4' energy: -30.867
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -54.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -487.016320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.016320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.016320 (E_RNA)
where:
Base-Base interactions energy: -320.307
where: short stacking energy: -151.718
Base-Backbone interact. energy: -0.198
local terms energy: -166.510491
where:
bonds (distance) C4'-P energy: -31.775
bonds (distance) P-C4' energy: -33.614
flat angles C4'-P-C4' energy: -32.215
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -41.774
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: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -457.857103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.857103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.857103 (E_RNA)
where:
Base-Base interactions energy: -302.044
where: short stacking energy: -157.484
Base-Backbone interact. energy: -1.190
local terms energy: -154.623257
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -34.419
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -42.640
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: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -466.725143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.725143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.725143 (E_RNA)
where:
Base-Base interactions energy: -304.852
where: short stacking energy: -145.018
Base-Backbone interact. energy: -0.021
local terms energy: -161.851760
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -31.397
flat angles C4'-P-C4' energy: -34.284
flat angles P-C4'-P energy: -22.819
tors. eta vs tors. theta energy: -41.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -459.567910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.567910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.567910 (E_RNA)
where:
Base-Base interactions energy: -304.572
where: short stacking energy: -138.892
Base-Backbone interact. energy: -1.109
local terms energy: -153.886809
where:
bonds (distance) C4'-P energy: -27.717
bonds (distance) P-C4' energy: -32.133
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -36.920
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: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -342.201693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.201693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.201693 (E_RNA)
where:
Base-Base interactions energy: -195.878
where: short stacking energy: -112.220
Base-Backbone interact. energy: -1.140
local terms energy: -145.183393
where:
bonds (distance) C4'-P energy: -26.351
bonds (distance) P-C4' energy: -31.059
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -29.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -329.506805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.506805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.506805 (E_RNA)
where:
Base-Base interactions energy: -192.912
where: short stacking energy: -103.514
Base-Backbone interact. energy: -1.228
local terms energy: -135.366000
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -269.688399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.688399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.688399 (E_RNA)
where:
Base-Base interactions energy: -161.002
where: short stacking energy: -80.939
Base-Backbone interact. energy: -0.683
local terms energy: -108.002982
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -161.572875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.572875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.572875 (E_RNA)
where:
Base-Base interactions energy: -66.233
where: short stacking energy: -58.422
Base-Backbone interact. energy: 2.430
local terms energy: -97.770119
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -2.361
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: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -166.554523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.554523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.554523 (E_RNA)
where:
Base-Base interactions energy: -72.351
where: short stacking energy: -72.336
Base-Backbone interact. energy: 0.180
local terms energy: -94.383389
where:
bonds (distance) C4'-P energy: -31.076
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -545.391124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.391124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.391124 (E_RNA)
where:
Base-Base interactions energy: -369.889
where: short stacking energy: -179.244
Base-Backbone interact. energy: -0.261
local terms energy: -175.240585
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -33.355
flat angles C4'-P-C4' energy: -36.739
flat angles P-C4'-P energy: -19.518
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: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -500.643203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.643203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.643203 (E_RNA)
where:
Base-Base interactions energy: -331.326
where: short stacking energy: -168.945
Base-Backbone interact. energy: -1.629
local terms energy: -167.688203
where:
bonds (distance) C4'-P energy: -27.185
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -38.859
flat angles P-C4'-P energy: -27.079
tors. eta vs tors. theta energy: -48.796
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: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -480.610433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.610433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.610433 (E_RNA)
where:
Base-Base interactions energy: -320.659
where: short stacking energy: -163.008
Base-Backbone interact. energy: -0.207
local terms energy: -159.744526
where:
bonds (distance) C4'-P energy: -30.639
bonds (distance) P-C4' energy: -25.454
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -25.252
tors. eta vs tors. theta energy: -43.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -448.804718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.804718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.804718 (E_RNA)
where:
Base-Base interactions energy: -291.594
where: short stacking energy: -150.555
Base-Backbone interact. energy: -0.182
local terms energy: -157.028334
where:
bonds (distance) C4'-P energy: -28.625
bonds (distance) P-C4' energy: -32.982
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -40.271
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: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -440.385952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.385952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.385952 (E_RNA)
where:
Base-Base interactions energy: -291.436
where: short stacking energy: -132.317
Base-Backbone interact. energy: -0.114
local terms energy: -148.835781
where:
bonds (distance) C4'-P energy: -34.329
bonds (distance) P-C4' energy: -33.984
flat angles C4'-P-C4' energy: -31.112
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -31.263
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: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -415.679000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.679000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.679000 (E_RNA)
where:
Base-Base interactions energy: -278.938
where: short stacking energy: -128.768
Base-Backbone interact. energy: -0.316
local terms energy: -136.424927
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -29.911
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -33.987
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: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -346.416145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.416145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.416145 (E_RNA)
where:
Base-Base interactions energy: -208.707
where: short stacking energy: -105.644
Base-Backbone interact. energy: -0.030
local terms energy: -137.678387
where:
bonds (distance) C4'-P energy: -30.355
bonds (distance) P-C4' energy: -27.973
flat angles C4'-P-C4' energy: -30.664
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -26.959
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: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -244.940990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.940990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.940990 (E_RNA)
where:
Base-Base interactions energy: -132.636
where: short stacking energy: -78.289
Base-Backbone interact. energy: -1.313
local terms energy: -110.991585
where:
bonds (distance) C4'-P energy: -25.727
bonds (distance) P-C4' energy: -27.870
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -23.078
tors. eta vs tors. theta energy: -9.300
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: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -186.373184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.373184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.373184 (E_RNA)
where:
Base-Base interactions energy: -89.720
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.499
local terms energy: -96.153487
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -18.299
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -164.670955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.670955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.670955 (E_RNA)
where:
Base-Base interactions energy: -63.398
where: short stacking energy: -62.125
Base-Backbone interact. energy: 0.893
local terms energy: -102.166491
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -28.415
flat angles C4'-P-C4' energy: -25.883
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -559.430336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.430336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.430336 (E_RNA)
where:
Base-Base interactions energy: -371.344
where: short stacking energy: -181.187
Base-Backbone interact. energy: -0.045
local terms energy: -188.040973
where:
bonds (distance) C4'-P energy: -39.616
bonds (distance) P-C4' energy: -32.426
flat angles C4'-P-C4' energy: -37.222
flat angles P-C4'-P energy: -24.136
tors. eta vs tors. theta energy: -54.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -485.769313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.769313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.769313 (E_RNA)
where:
Base-Base interactions energy: -320.231
where: short stacking energy: -165.528
Base-Backbone interact. energy: -0.969
local terms energy: -164.568610
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -28.839
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -24.359
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: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -490.516401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.516401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.516401 (E_RNA)
where:
Base-Base interactions energy: -323.180
where: short stacking energy: -161.308
Base-Backbone interact. energy: -0.325
local terms energy: -167.011028
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -37.075
flat angles P-C4'-P energy: -28.155
tors. eta vs tors. theta energy: -47.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -455.028662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.028662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.028662 (E_RNA)
where:
Base-Base interactions energy: -311.877
where: short stacking energy: -147.019
Base-Backbone interact. energy: -0.973
local terms energy: -142.179003
where:
bonds (distance) C4'-P energy: -30.383
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -30.368
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: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -442.153999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.153999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.153999 (E_RNA)
where:
Base-Base interactions energy: -283.417
where: short stacking energy: -136.622
Base-Backbone interact. energy: 0.039
local terms energy: -158.776571
where:
bonds (distance) C4'-P energy: -31.335
bonds (distance) P-C4' energy: -30.130
flat angles C4'-P-C4' energy: -35.480
flat angles P-C4'-P energy: -23.281
tors. eta vs tors. theta energy: -38.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -445.535192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.535192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.535192 (E_RNA)
where:
Base-Base interactions energy: -296.276
where: short stacking energy: -137.021
Base-Backbone interact. energy: -0.718
local terms energy: -148.541313
where:
bonds (distance) C4'-P energy: -25.850
bonds (distance) P-C4' energy: -30.177
flat angles C4'-P-C4' energy: -33.070
flat angles P-C4'-P energy: -27.185
tors. eta vs tors. theta energy: -32.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -355.253974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.253974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.253974 (E_RNA)
where:
Base-Base interactions energy: -223.779
where: short stacking energy: -109.474
Base-Backbone interact. energy: 0.028
local terms energy: -131.502902
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -28.727
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -29.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -251.663953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.663953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.663953 (E_RNA)
where:
Base-Base interactions energy: -132.402
where: short stacking energy: -90.100
Base-Backbone interact. energy: -0.987
local terms energy: -118.275046
where:
bonds (distance) C4'-P energy: -26.521
bonds (distance) P-C4' energy: -31.007
flat angles C4'-P-C4' energy: -31.442
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -14.971
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: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -163.089603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.089603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.089603 (E_RNA)
where:
Base-Base interactions energy: -50.640
where: short stacking energy: -50.640
Base-Backbone interact. energy: -0.601
local terms energy: -111.848599
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -33.126
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -2.978
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: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -145.665161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.665161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.665161 (E_RNA)
where:
Base-Base interactions energy: -55.242
where: short stacking energy: -46.910
Base-Backbone interact. energy: -0.260
local terms energy: -90.163282
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: 5.021
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: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -554.910510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.910510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.910510 (E_RNA)
where:
Base-Base interactions energy: -375.859
where: short stacking energy: -182.161
Base-Backbone interact. energy: -0.595
local terms energy: -178.456998
where:
bonds (distance) C4'-P energy: -35.630
bonds (distance) P-C4' energy: -33.690
flat angles C4'-P-C4' energy: -35.046
flat angles P-C4'-P energy: -26.194
tors. eta vs tors. theta energy: -47.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -500.037175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.037175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.037175 (E_RNA)
where:
Base-Base interactions energy: -331.349
where: short stacking energy: -165.120
Base-Backbone interact. energy: -0.288
local terms energy: -168.400490
where:
bonds (distance) C4'-P energy: -31.302
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -33.457
flat angles P-C4'-P energy: -25.081
tors. eta vs tors. theta energy: -48.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -498.731390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.731390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.731390 (E_RNA)
where:
Base-Base interactions energy: -330.516
where: short stacking energy: -175.360
Base-Backbone interact. energy: -0.344
local terms energy: -167.871993
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -32.134
flat angles C4'-P-C4' energy: -32.735
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -49.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -465.554123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.554123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.554123 (E_RNA)
where:
Base-Base interactions energy: -299.446
where: short stacking energy: -150.097
Base-Backbone interact. energy: -0.682
local terms energy: -165.426489
where:
bonds (distance) C4'-P energy: -31.875
bonds (distance) P-C4' energy: -37.653
flat angles C4'-P-C4' energy: -32.466
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -39.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -446.466907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.466907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.466907 (E_RNA)
where:
Base-Base interactions energy: -301.465
where: short stacking energy: -139.076
Base-Backbone interact. energy: -0.728
local terms energy: -144.273319
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -29.061
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -25.058
tors. eta vs tors. theta energy: -36.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -432.051199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.051199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.051199 (E_RNA)
where:
Base-Base interactions energy: -275.174
where: short stacking energy: -131.772
Base-Backbone interact. energy: -1.250
local terms energy: -155.627043
where:
bonds (distance) C4'-P energy: -32.067
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -34.871
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -39.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -375.102879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.102879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.102879 (E_RNA)
where:
Base-Base interactions energy: -224.741
where: short stacking energy: -119.001
Base-Backbone interact. energy: -0.351
local terms energy: -150.010452
where:
bonds (distance) C4'-P energy: -23.404
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -32.204
flat angles P-C4'-P energy: -28.361
tors. eta vs tors. theta energy: -34.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -246.179931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.179931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.179931 (E_RNA)
where:
Base-Base interactions energy: -135.921
where: short stacking energy: -93.989
Base-Backbone interact. energy: -1.470
local terms energy: -108.788971
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -29.442
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -160.981490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.981490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.981490 (E_RNA)
where:
Base-Base interactions energy: -58.086
where: short stacking energy: -58.086
Base-Backbone interact. energy: -0.622
local terms energy: -102.273804
where:
bonds (distance) C4'-P energy: -33.359
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -26.353
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: 1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -149.205838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.205838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.205838 (E_RNA)
where:
Base-Base interactions energy: -50.395
where: short stacking energy: -46.178
Base-Backbone interact. energy: -1.157
local terms energy: -97.653458
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -27.091
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: 0.678
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: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -549.067704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.067704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.067704 (E_RNA)
where:
Base-Base interactions energy: -376.311
where: short stacking energy: -184.129
Base-Backbone interact. energy: -1.168
local terms energy: -171.588208
where:
bonds (distance) C4'-P energy: -32.330
bonds (distance) P-C4' energy: -29.132
flat angles C4'-P-C4' energy: -36.777
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -52.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -493.651743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.651743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.651743 (E_RNA)
where:
Base-Base interactions energy: -333.085
where: short stacking energy: -169.066
Base-Backbone interact. energy: -1.662
local terms energy: -158.904686
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -29.748
flat angles C4'-P-C4' energy: -36.861
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -48.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -500.687959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.687959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.687959 (E_RNA)
where:
Base-Base interactions energy: -327.331
where: short stacking energy: -160.203
Base-Backbone interact. energy: -2.031
local terms energy: -171.326195
where:
bonds (distance) C4'-P energy: -24.824
bonds (distance) P-C4' energy: -34.683
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -27.056
tors. eta vs tors. theta energy: -49.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -473.554991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.554991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.554991 (E_RNA)
where:
Base-Base interactions energy: -315.822
where: short stacking energy: -153.387
Base-Backbone interact. energy: -2.155
local terms energy: -155.578296
where:
bonds (distance) C4'-P energy: -32.661
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: -40.588
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: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -456.249708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.249708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.249708 (E_RNA)
where:
Base-Base interactions energy: -305.272
where: short stacking energy: -154.008
Base-Backbone interact. energy: -1.242
local terms energy: -149.735388
where:
bonds (distance) C4'-P energy: -24.994
bonds (distance) P-C4' energy: -33.241
flat angles C4'-P-C4' energy: -31.980
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -42.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -406.546522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.546522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.546522 (E_RNA)
where:
Base-Base interactions energy: -270.383
where: short stacking energy: -113.285
Base-Backbone interact. energy: -1.451
local terms energy: -134.712983
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -32.009
flat angles C4'-P-C4' energy: -29.652
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -373.312958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.312958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.312958 (E_RNA)
where:
Base-Base interactions energy: -260.798
where: short stacking energy: -136.197
Base-Backbone interact. energy: -0.593
local terms energy: -111.922598
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -28.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -269.431254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.431254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.431254 (E_RNA)
where:
Base-Base interactions energy: -149.967
where: short stacking energy: -99.126
Base-Backbone interact. energy: -0.431
local terms energy: -119.033355
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -26.436
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -21.354
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: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -162.852558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.852558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.852558 (E_RNA)
where:
Base-Base interactions energy: -62.445
where: short stacking energy: -54.376
Base-Backbone interact. energy: -0.556
local terms energy: -99.850663
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -31.648
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -5.741
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: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -155.684902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.684902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.684902 (E_RNA)
where:
Base-Base interactions energy: -46.921
where: short stacking energy: -46.428
Base-Backbone interact. energy: -1.491
local terms energy: -107.272814
where:
bonds (distance) C4'-P energy: -27.635
bonds (distance) P-C4' energy: -29.280
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -564.786766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.786766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.786766 (E_RNA)
where:
Base-Base interactions energy: -386.627
where: short stacking energy: -188.547
Base-Backbone interact. energy: -0.333
local terms energy: -177.826647
where:
bonds (distance) C4'-P energy: -36.412
bonds (distance) P-C4' energy: -32.716
flat angles C4'-P-C4' energy: -34.245
flat angles P-C4'-P energy: -23.631
tors. eta vs tors. theta energy: -50.822
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: 9
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -497.607192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.607192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.607192 (E_RNA)
where:
Base-Base interactions energy: -340.110
where: short stacking energy: -165.758
Base-Backbone interact. energy: -0.186
local terms energy: -157.310637
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -32.288
flat angles C4'-P-C4' energy: -34.518
flat angles P-C4'-P energy: -21.818
tors. eta vs tors. theta energy: -48.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -478.032391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.032391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.032391 (E_RNA)
where:
Base-Base interactions energy: -325.430
where: short stacking energy: -143.959
Base-Backbone interact. energy: -2.748
local terms energy: -149.855146
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -30.717
flat angles P-C4'-P energy: -24.381
tors. eta vs tors. theta energy: -36.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -471.721954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.721954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.721954 (E_RNA)
where:
Base-Base interactions energy: -309.177
where: short stacking energy: -153.907
Base-Backbone interact. energy: -0.030
local terms energy: -162.514207
where:
bonds (distance) C4'-P energy: -29.254
bonds (distance) P-C4' energy: -31.546
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -44.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -454.140166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.140166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.140166 (E_RNA)
where:
Base-Base interactions energy: -306.918
where: short stacking energy: -158.153
Base-Backbone interact. energy: -0.872
local terms energy: -146.349689
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -31.180
flat angles C4'-P-C4' energy: -33.017
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -40.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -425.741215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.741215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.741215 (E_RNA)
where:
Base-Base interactions energy: -280.688
where: short stacking energy: -141.673
Base-Backbone interact. energy: -1.177
local terms energy: -143.876875
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -30.593
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -34.007
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: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -334.029385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.029385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.029385 (E_RNA)
where:
Base-Base interactions energy: -208.461
where: short stacking energy: -99.997
Base-Backbone interact. energy: -0.306
local terms energy: -125.262552
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -30.910
flat angles C4'-P-C4' energy: -34.518
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -231.382216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.382216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.382216 (E_RNA)
where:
Base-Base interactions energy: -120.128
where: short stacking energy: -66.298
Base-Backbone interact. energy: -2.017
local terms energy: -109.236771
where:
bonds (distance) C4'-P energy: -25.750
bonds (distance) P-C4' energy: -26.497
flat angles C4'-P-C4' energy: -26.088
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -11.595
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: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -173.983592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.983592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.983592 (E_RNA)
where:
Base-Base interactions energy: -65.195
where: short stacking energy: -40.592
Base-Backbone interact. energy: -1.020
local terms energy: -107.768534
where:
bonds (distance) C4'-P energy: -33.260
bonds (distance) P-C4' energy: -34.179
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: 3.334
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: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -174.840479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.840479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.840479 (E_RNA)
where:
Base-Base interactions energy: -72.862
where: short stacking energy: -68.815
Base-Backbone interact. energy: -0.620
local terms energy: -101.358313
where:
bonds (distance) C4'-P energy: -29.167
bonds (distance) P-C4' energy: -31.120
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -6.192
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: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -554.922748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.922748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.922748 (E_RNA)
where:
Base-Base interactions energy: -377.525
where: short stacking energy: -177.386
Base-Backbone interact. energy: 0.027
local terms energy: -177.424787
where:
bonds (distance) C4'-P energy: -33.582
bonds (distance) P-C4' energy: -35.187
flat angles C4'-P-C4' energy: -36.732
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -46.427
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: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -489.009328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.009328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.009328 (E_RNA)
where:
Base-Base interactions energy: -327.921
where: short stacking energy: -157.931
Base-Backbone interact. energy: -0.125
local terms energy: -160.963470
where:
bonds (distance) C4'-P energy: -37.082
bonds (distance) P-C4' energy: -31.474
flat angles C4'-P-C4' energy: -31.148
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -41.727
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: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -497.430931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.430931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.430931 (E_RNA)
where:
Base-Base interactions energy: -332.809
where: short stacking energy: -153.737
Base-Backbone interact. energy: -0.040
local terms energy: -164.581715
where:
bonds (distance) C4'-P energy: -35.051
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -23.693
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: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -479.796071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.796071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.796071 (E_RNA)
where:
Base-Base interactions energy: -332.435
where: short stacking energy: -160.593
Base-Backbone interact. energy: 0.096
local terms energy: -147.457702
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -33.549
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -43.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -476.170253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.170253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.170253 (E_RNA)
where:
Base-Base interactions energy: -310.721
where: short stacking energy: -146.141
Base-Backbone interact. energy: -2.376
local terms energy: -163.073740
where:
bonds (distance) C4'-P energy: -27.693
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -38.313
flat angles P-C4'-P energy: -24.303
tors. eta vs tors. theta energy: -37.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -394.861532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.861532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.861532 (E_RNA)
where:
Base-Base interactions energy: -265.027
where: short stacking energy: -124.182
Base-Backbone interact. energy: 2.383
local terms energy: -132.216923
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -34.856
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -29.081
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: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -345.718466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.718466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.718466 (E_RNA)
where:
Base-Base interactions energy: -218.331
where: short stacking energy: -111.334
Base-Backbone interact. energy: 1.867
local terms energy: -129.254222
where:
bonds (distance) C4'-P energy: -25.899
bonds (distance) P-C4' energy: -35.459
flat angles C4'-P-C4' energy: -29.864
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -21.618
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: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -173.136277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.136277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.136277 (E_RNA)
where:
Base-Base interactions energy: -66.576
where: short stacking energy: -66.576
Base-Backbone interact. energy: 0.058
local terms energy: -106.618619
where:
bonds (distance) C4'-P energy: -31.339
bonds (distance) P-C4' energy: -26.857
flat angles C4'-P-C4' energy: -27.431
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -5.609
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: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -215.371526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.371526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.371526 (E_RNA)
where:
Base-Base interactions energy: -108.755
where: short stacking energy: -67.476
Base-Backbone interact. energy: 0.023
local terms energy: -106.639394
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -150.195850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.195850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.195850 (E_RNA)
where:
Base-Base interactions energy: -53.919
where: short stacking energy: -42.883
Base-Backbone interact. energy: 0.017
local terms energy: -96.293944
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -32.595
flat angles C4'-P-C4' energy: -29.910
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -4.386
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: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -555.929219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.929219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.929219 (E_RNA)
where:
Base-Base interactions energy: -379.045
where: short stacking energy: -182.529
Base-Backbone interact. energy: -0.992
local terms energy: -175.892184
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -37.007
flat angles C4'-P-C4' energy: -37.109
flat angles P-C4'-P energy: -19.828
tors. eta vs tors. theta energy: -54.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -512.226521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.226521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.226521 (E_RNA)
where:
Base-Base interactions energy: -349.204
where: short stacking energy: -167.719
Base-Backbone interact. energy: -0.983
local terms energy: -162.038866
where:
bonds (distance) C4'-P energy: -32.767
bonds (distance) P-C4' energy: -32.823
flat angles C4'-P-C4' energy: -32.097
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -43.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -516.685688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.685688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.685688 (E_RNA)
where:
Base-Base interactions energy: -352.192
where: short stacking energy: -173.373
Base-Backbone interact. energy: -0.530
local terms energy: -163.963705
where:
bonds (distance) C4'-P energy: -31.499
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: -47.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -472.493281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.493281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.493281 (E_RNA)
where:
Base-Base interactions energy: -320.502
where: short stacking energy: -137.943
Base-Backbone interact. energy: -0.226
local terms energy: -151.765401
where:
bonds (distance) C4'-P energy: -32.131
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -34.127
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: -31.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -449.824857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.824857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.824857 (E_RNA)
where:
Base-Base interactions energy: -288.281
where: short stacking energy: -154.604
Base-Backbone interact. energy: 0.940
local terms energy: -162.483639
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -32.755
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -45.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -431.102218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.102218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.102218 (E_RNA)
where:
Base-Base interactions energy: -297.932
where: short stacking energy: -133.133
Base-Backbone interact. energy: 0.340
local terms energy: -133.510321
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -27.239
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -34.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -372.086221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.086221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.086221 (E_RNA)
where:
Base-Base interactions energy: -237.612
where: short stacking energy: -129.466
Base-Backbone interact. energy: -0.351
local terms energy: -134.123391
where:
bonds (distance) C4'-P energy: -29.978
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -29.416
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -27.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -179.510409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.510409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.510409 (E_RNA)
where:
Base-Base interactions energy: -79.752
where: short stacking energy: -69.240
Base-Backbone interact. energy: -0.547
local terms energy: -99.211060
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -26.325
flat angles P-C4'-P energy: -26.260
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -172.629211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.629211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.629211 (E_RNA)
where:
Base-Base interactions energy: -74.856
where: short stacking energy: -52.505
Base-Backbone interact. energy: -1.159
local terms energy: -96.614524
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -33.744
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -4.036
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: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -217.452180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.452180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.452180 (E_RNA)
where:
Base-Base interactions energy: -112.824
where: short stacking energy: -72.193
Base-Backbone interact. energy: -0.113
local terms energy: -104.514782
where:
bonds (distance) C4'-P energy: -28.453
bonds (distance) P-C4' energy: -29.848
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -560.702816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.702816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.702816 (E_RNA)
where:
Base-Base interactions energy: -370.422
where: short stacking energy: -182.216
Base-Backbone interact. energy: -1.388
local terms energy: -188.893186
where:
bonds (distance) C4'-P energy: -34.754
bonds (distance) P-C4' energy: -35.929
flat angles C4'-P-C4' energy: -38.066
flat angles P-C4'-P energy: -24.769
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: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -504.103062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.103062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.103062 (E_RNA)
where:
Base-Base interactions energy: -338.282
where: short stacking energy: -159.615
Base-Backbone interact. energy: -1.101
local terms energy: -164.719699
where:
bonds (distance) C4'-P energy: -29.777
bonds (distance) P-C4' energy: -34.894
flat angles C4'-P-C4' energy: -32.715
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -48.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -501.859487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.859487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.859487 (E_RNA)
where:
Base-Base interactions energy: -342.144
where: short stacking energy: -163.266
Base-Backbone interact. energy: -0.165
local terms energy: -159.550714
where:
bonds (distance) C4'-P energy: -26.404
bonds (distance) P-C4' energy: -28.781
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -26.029
tors. eta vs tors. theta energy: -44.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -498.262333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.262333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.262333 (E_RNA)
where:
Base-Base interactions energy: -338.222
where: short stacking energy: -156.489
Base-Backbone interact. energy: -1.380
local terms energy: -158.660808
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -44.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -428.337276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.337276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.337276 (E_RNA)
where:
Base-Base interactions energy: -280.737
where: short stacking energy: -147.563
Base-Backbone interact. energy: 0.112
local terms energy: -147.711987
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -38.189
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: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -425.949952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.949952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.949952 (E_RNA)
where:
Base-Base interactions energy: -280.865
where: short stacking energy: -144.898
Base-Backbone interact. energy: -0.431
local terms energy: -144.653600
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -33.879
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -35.384
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: 51
Temperature: 1.200000
Total energy: -334.160284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.160284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.160284 (E_RNA)
where:
Base-Base interactions energy: -204.787
where: short stacking energy: -112.495
Base-Backbone interact. energy: -1.264
local terms energy: -128.109343
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -28.259
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -25.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -182.157454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.157454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.157454 (E_RNA)
where:
Base-Base interactions energy: -88.494
where: short stacking energy: -71.215
Base-Backbone interact. energy: -0.222
local terms energy: -93.441401
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -31.545
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -5.749
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: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -170.324295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.324295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.324295 (E_RNA)
where:
Base-Base interactions energy: -75.402
where: short stacking energy: -71.163
Base-Backbone interact. energy: -0.361
local terms energy: -94.560692
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -30.967
flat angles C4'-P-C4' energy: -27.232
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -1.317
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: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -208.573166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.573166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.573166 (E_RNA)
where:
Base-Base interactions energy: -111.576
where: short stacking energy: -66.697
Base-Backbone interact. energy: 0.303
local terms energy: -97.300783
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -6.012
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: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -558.538412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.538412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.538412 (E_RNA)
where:
Base-Base interactions energy: -377.172
where: short stacking energy: -184.671
Base-Backbone interact. energy: -0.005
local terms energy: -181.361812
where:
bonds (distance) C4'-P energy: -35.029
bonds (distance) P-C4' energy: -31.164
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -26.192
tors. eta vs tors. theta energy: -54.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -504.581351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.581351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.581351 (E_RNA)
where:
Base-Base interactions energy: -335.387
where: short stacking energy: -158.339
Base-Backbone interact. energy: -3.103
local terms energy: -166.090829
where:
bonds (distance) C4'-P energy: -28.267
bonds (distance) P-C4' energy: -28.366
flat angles C4'-P-C4' energy: -36.447
flat angles P-C4'-P energy: -23.925
tors. eta vs tors. theta energy: -49.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -518.939317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.939317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.939317 (E_RNA)
where:
Base-Base interactions energy: -355.428
where: short stacking energy: -159.192
Base-Backbone interact. energy: -0.010
local terms energy: -163.501381
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -29.960
flat angles C4'-P-C4' energy: -32.861
flat angles P-C4'-P energy: -27.840
tors. eta vs tors. theta energy: -42.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -485.572273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.572273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.572273 (E_RNA)
where:
Base-Base interactions energy: -325.802
where: short stacking energy: -161.208
Base-Backbone interact. energy: -0.847
local terms energy: -158.923700
where:
bonds (distance) C4'-P energy: -34.822
bonds (distance) P-C4' energy: -29.405
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -46.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -439.064609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.064609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.064609 (E_RNA)
where:
Base-Base interactions energy: -292.042
where: short stacking energy: -138.880
Base-Backbone interact. energy: -0.485
local terms energy: -146.537356
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -33.139
flat angles C4'-P-C4' energy: -37.754
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -33.173
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: 52
Temperature: 1.150000
Total energy: -435.181803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.181803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.181803 (E_RNA)
where:
Base-Base interactions energy: -272.661
where: short stacking energy: -148.941
Base-Backbone interact. energy: -2.434
local terms energy: -160.087092
where:
bonds (distance) C4'-P energy: -27.985
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -40.127
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -45.727
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: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -370.160361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.160361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.160361 (E_RNA)
where:
Base-Base interactions energy: -244.755
where: short stacking energy: -125.670
Base-Backbone interact. energy: -0.494
local terms energy: -124.911958
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -25.458
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -29.011
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: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -195.426337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.426337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.426337 (E_RNA)
where:
Base-Base interactions energy: -96.333
where: short stacking energy: -77.747
Base-Backbone interact. energy: -0.609
local terms energy: -98.485262
where:
bonds (distance) C4'-P energy: -24.245
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -30.409
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -178.541030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.541030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.541030 (E_RNA)
where:
Base-Base interactions energy: -76.819
where: short stacking energy: -73.555
Base-Backbone interact. energy: -0.397
local terms energy: -101.325096
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -11.468
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: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -161.299399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.299399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.299399 (E_RNA)
where:
Base-Base interactions energy: -57.965
where: short stacking energy: -55.056
Base-Backbone interact. energy: -0.766
local terms energy: -102.568838
where:
bonds (distance) C4'-P energy: -27.133
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -21.982
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -544.733597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.733597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.733597 (E_RNA)
where:
Base-Base interactions energy: -360.594
where: short stacking energy: -177.297
Base-Backbone interact. energy: -1.055
local terms energy: -183.084947
where:
bonds (distance) C4'-P energy: -34.362
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -39.035
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -53.280
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: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -548.149867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.149867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.149867 (E_RNA)
where:
Base-Base interactions energy: -376.861
where: short stacking energy: -173.038
Base-Backbone interact. energy: -0.225
local terms energy: -171.063034
where:
bonds (distance) C4'-P energy: -34.064
bonds (distance) P-C4' energy: -32.041
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -48.853
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: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -481.515145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.515145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.515145 (E_RNA)
where:
Base-Base interactions energy: -327.986
where: short stacking energy: -152.222
Base-Backbone interact. energy: -0.729
local terms energy: -152.799576
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -34.545
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -40.562
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: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -472.362610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.362610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.362610 (E_RNA)
where:
Base-Base interactions energy: -311.265
where: short stacking energy: -158.961
Base-Backbone interact. energy: -0.525
local terms energy: -160.572132
where:
bonds (distance) C4'-P energy: -35.234
bonds (distance) P-C4' energy: -28.663
flat angles C4'-P-C4' energy: -29.572
flat angles P-C4'-P energy: -27.767
tors. eta vs tors. theta energy: -39.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -439.822363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.822363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.822363 (E_RNA)
where:
Base-Base interactions energy: -301.742
where: short stacking energy: -154.538
Base-Backbone interact. energy: -1.325
local terms energy: -136.754841
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -35.397
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: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -431.587415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.587415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.587415 (E_RNA)
where:
Base-Base interactions energy: -304.245
where: short stacking energy: -141.127
Base-Backbone interact. energy: -0.527
local terms energy: -126.814796
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -25.858
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -33.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -362.744672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.744672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.744672 (E_RNA)
where:
Base-Base interactions energy: -235.913
where: short stacking energy: -134.271
Base-Backbone interact. energy: 0.358
local terms energy: -127.189752
where:
bonds (distance) C4'-P energy: -27.358
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: -23.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -194.722366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.722366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.722366 (E_RNA)
where:
Base-Base interactions energy: -99.666
where: short stacking energy: -55.221
Base-Backbone interact. energy: 1.772
local terms energy: -96.828147
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -27.472
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -2.664
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: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -193.352927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.352927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.352927 (E_RNA)
where:
Base-Base interactions energy: -99.691
where: short stacking energy: -65.829
Base-Backbone interact. energy: -0.626
local terms energy: -93.035350
where:
bonds (distance) C4'-P energy: -25.349
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -27.171
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -3.345
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: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -177.997289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.997289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.997289 (E_RNA)
where:
Base-Base interactions energy: -79.823
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.164
local terms energy: -98.010163
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -12.345
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: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -546.313554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.313554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.313554 (E_RNA)
where:
Base-Base interactions energy: -379.042
where: short stacking energy: -171.403
Base-Backbone interact. energy: -0.969
local terms energy: -166.302517
where:
bonds (distance) C4'-P energy: -33.534
bonds (distance) P-C4' energy: -32.769
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -21.745
tors. eta vs tors. theta energy: -43.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -536.734067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.734067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.734067 (E_RNA)
where:
Base-Base interactions energy: -370.038
where: short stacking energy: -177.708
Base-Backbone interact. energy: -0.012
local terms energy: -166.683634
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -36.735
flat angles P-C4'-P energy: -27.228
tors. eta vs tors. theta energy: -51.880
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: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -488.343806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.343806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.343806 (E_RNA)
where:
Base-Base interactions energy: -332.210
where: short stacking energy: -165.574
Base-Backbone interact. energy: -1.380
local terms energy: -154.753455
where:
bonds (distance) C4'-P energy: -32.114
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -24.281
tors. eta vs tors. theta energy: -43.937
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: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -465.532626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.532626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.532626 (E_RNA)
where:
Base-Base interactions energy: -303.143
where: short stacking energy: -146.633
Base-Backbone interact. energy: -1.338
local terms energy: -161.051311
where:
bonds (distance) C4'-P energy: -36.089
bonds (distance) P-C4' energy: -29.596
flat angles C4'-P-C4' energy: -35.584
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -41.630
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: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -422.324422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.324422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.324422 (E_RNA)
where:
Base-Base interactions energy: -277.692
where: short stacking energy: -158.020
Base-Backbone interact. energy: -0.834
local terms energy: -143.798251
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -29.215
flat angles C4'-P-C4' energy: -28.766
flat angles P-C4'-P energy: -22.581
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -443.298774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.298774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.298774 (E_RNA)
where:
Base-Base interactions energy: -309.451
where: short stacking energy: -136.078
Base-Backbone interact. energy: -0.715
local terms energy: -133.132208
where:
bonds (distance) C4'-P energy: -34.264
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -28.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -367.135681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.135681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.135681 (E_RNA)
where:
Base-Base interactions energy: -234.540
where: short stacking energy: -111.696
Base-Backbone interact. energy: -0.048
local terms energy: -132.548222
where:
bonds (distance) C4'-P energy: -29.252
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -31.805
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -25.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -198.913551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.913551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.913551 (E_RNA)
where:
Base-Base interactions energy: -92.413
where: short stacking energy: -74.011
Base-Backbone interact. energy: 0.780
local terms energy: -107.280565
where:
bonds (distance) C4'-P energy: -26.028
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -26.136
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -12.746
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: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -166.018168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.018168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.018168 (E_RNA)
where:
Base-Base interactions energy: -63.600
where: short stacking energy: -44.788
Base-Backbone interact. energy: 0.085
local terms energy: -102.503564
where:
bonds (distance) C4'-P energy: -27.582
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -1.244
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: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -142.492715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.492715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.492715 (E_RNA)
where:
Base-Base interactions energy: -57.662
where: short stacking energy: -49.724
Base-Backbone interact. energy: -0.891
local terms energy: -83.939643
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -27.432
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -550.293945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.293945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.293945 (E_RNA)
where:
Base-Base interactions energy: -371.854
where: short stacking energy: -160.942
Base-Backbone interact. energy: -0.014
local terms energy: -178.426290
where:
bonds (distance) C4'-P energy: -33.994
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -34.480
flat angles P-C4'-P energy: -28.385
tors. eta vs tors. theta energy: -46.764
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: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -505.665710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.665710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.665710 (E_RNA)
where:
Base-Base interactions energy: -329.660
where: short stacking energy: -170.771
Base-Backbone interact. energy: -0.457
local terms energy: -175.548521
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -31.894
flat angles C4'-P-C4' energy: -37.226
flat angles P-C4'-P energy: -27.533
tors. eta vs tors. theta energy: -47.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -536.346160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.346160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.346160 (E_RNA)
where:
Base-Base interactions energy: -354.099
where: short stacking energy: -178.021
Base-Backbone interact. energy: -0.195
local terms energy: -182.051952
where:
bonds (distance) C4'-P energy: -32.054
bonds (distance) P-C4' energy: -35.895
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -28.025
tors. eta vs tors. theta energy: -51.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -462.828980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.828980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.828980 (E_RNA)
where:
Base-Base interactions energy: -305.612
where: short stacking energy: -149.124
Base-Backbone interact. energy: -1.330
local terms energy: -155.887160
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -29.520
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -22.899
tors. eta vs tors. theta energy: -37.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -418.160265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.160265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.160265 (E_RNA)
where:
Base-Base interactions energy: -263.154
where: short stacking energy: -131.369
Base-Backbone interact. energy: -0.849
local terms energy: -154.156867
where:
bonds (distance) C4'-P energy: -32.610
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -27.551
tors. eta vs tors. theta energy: -33.732
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: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -427.442972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.442972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.442972 (E_RNA)
where:
Base-Base interactions energy: -283.747
where: short stacking energy: -136.842
Base-Backbone interact. energy: -0.278
local terms energy: -143.418314
where:
bonds (distance) C4'-P energy: -32.004
bonds (distance) P-C4' energy: -30.967
flat angles C4'-P-C4' energy: -26.175
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -36.384
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: 55
Temperature: 1.200000
Total energy: -377.662959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.662959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.662959 (E_RNA)
where:
Base-Base interactions energy: -242.676
where: short stacking energy: -126.617
Base-Backbone interact. energy: -0.708
local terms energy: -134.278986
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -33.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -189.361046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.361046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.361046 (E_RNA)
where:
Base-Base interactions energy: -91.506
where: short stacking energy: -66.184
Base-Backbone interact. energy: -1.198
local terms energy: -96.657122
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -27.028
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -11.103
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: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -176.969877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.969877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.969877 (E_RNA)
where:
Base-Base interactions energy: -72.764
where: short stacking energy: -45.801
Base-Backbone interact. energy: -0.849
local terms energy: -103.356286
where:
bonds (distance) C4'-P energy: -27.978
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -34.757
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: 5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -164.287438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.287438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.287438 (E_RNA)
where:
Base-Base interactions energy: -73.901
where: short stacking energy: -65.474
Base-Backbone interact. energy: -0.414
local terms energy: -89.972738
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -561.332799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.332799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.332799 (E_RNA)
where:
Base-Base interactions energy: -387.862
where: short stacking energy: -172.279
Base-Backbone interact. energy: -0.631
local terms energy: -172.838996
where:
bonds (distance) C4'-P energy: -26.529
bonds (distance) P-C4' energy: -34.491
flat angles C4'-P-C4' energy: -35.204
flat angles P-C4'-P energy: -26.531
tors. eta vs tors. theta energy: -50.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -509.134708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.134708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.134708 (E_RNA)
where:
Base-Base interactions energy: -329.849
where: short stacking energy: -155.855
Base-Backbone interact. energy: -0.161
local terms energy: -179.125208
where:
bonds (distance) C4'-P energy: -33.795
bonds (distance) P-C4' energy: -35.384
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -26.629
tors. eta vs tors. theta energy: -49.479
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: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -525.254678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.254678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.254678 (E_RNA)
where:
Base-Base interactions energy: -363.319
where: short stacking energy: -174.429
Base-Backbone interact. energy: -1.466
local terms energy: -160.469326
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -31.324
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -50.733
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: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -440.145217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.145217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.145217 (E_RNA)
where:
Base-Base interactions energy: -281.564
where: short stacking energy: -132.703
Base-Backbone interact. energy: -1.301
local terms energy: -157.280533
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -29.589
flat angles C4'-P-C4' energy: -35.667
flat angles P-C4'-P energy: -25.789
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: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -434.537092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.537092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.537092 (E_RNA)
where:
Base-Base interactions energy: -299.297
where: short stacking energy: -135.183
Base-Backbone interact. energy: -0.658
local terms energy: -134.582742
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -30.823
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -29.072
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: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -412.525369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.525369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.525369 (E_RNA)
where:
Base-Base interactions energy: -268.141
where: short stacking energy: -140.526
Base-Backbone interact. energy: 1.718
local terms energy: -146.102696
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -36.782
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -35.900
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: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -368.668441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.668441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.668441 (E_RNA)
where:
Base-Base interactions energy: -231.062
where: short stacking energy: -130.681
Base-Backbone interact. energy: -1.644
local terms energy: -135.962991
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -29.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -177.849520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.849520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.849520 (E_RNA)
where:
Base-Base interactions energy: -63.182
where: short stacking energy: -62.023
Base-Backbone interact. energy: -0.474
local terms energy: -114.193776
where:
bonds (distance) C4'-P energy: -32.511
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -28.810
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -7.331
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: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -170.629927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.629927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.629927 (E_RNA)
where:
Base-Base interactions energy: -65.081
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.357
local terms energy: -105.191252
where:
bonds (distance) C4'-P energy: -32.185
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -166.594328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.594328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.594328 (E_RNA)
where:
Base-Base interactions energy: -76.600
where: short stacking energy: -54.923
Base-Backbone interact. energy: -1.213
local terms energy: -88.782088
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -25.979
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -541.651358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.651358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.651358 (E_RNA)
where:
Base-Base interactions energy: -362.840
where: short stacking energy: -175.422
Base-Backbone interact. energy: -1.009
local terms energy: -177.802235
where:
bonds (distance) C4'-P energy: -37.035
bonds (distance) P-C4' energy: -30.454
flat angles C4'-P-C4' energy: -38.170
flat angles P-C4'-P energy: -23.401
tors. eta vs tors. theta energy: -48.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -541.423718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.423718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.423718 (E_RNA)
where:
Base-Base interactions energy: -366.880
where: short stacking energy: -186.165
Base-Backbone interact. energy: -0.060
local terms energy: -174.484321
where:
bonds (distance) C4'-P energy: -29.751
bonds (distance) P-C4' energy: -34.702
flat angles C4'-P-C4' energy: -33.203
flat angles P-C4'-P energy: -22.503
tors. eta vs tors. theta energy: -54.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -498.640757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.640757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.640757 (E_RNA)
where:
Base-Base interactions energy: -335.804
where: short stacking energy: -166.974
Base-Backbone interact. energy: -0.356
local terms energy: -162.480896
where:
bonds (distance) C4'-P energy: -32.425
bonds (distance) P-C4' energy: -32.630
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -20.748
tors. eta vs tors. theta energy: -45.362
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: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -428.646660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.646660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.646660 (E_RNA)
where:
Base-Base interactions energy: -281.455
where: short stacking energy: -140.924
Base-Backbone interact. energy: -0.612
local terms energy: -146.579574
where:
bonds (distance) C4'-P energy: -31.386
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -34.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -436.716713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.716713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.716713 (E_RNA)
where:
Base-Base interactions energy: -297.673
where: short stacking energy: -142.731
Base-Backbone interact. energy: -1.015
local terms energy: -138.028562
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -32.036
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -36.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -395.945520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.945520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.945520 (E_RNA)
where:
Base-Base interactions energy: -253.646
where: short stacking energy: -123.266
Base-Backbone interact. energy: -0.079
local terms energy: -142.220542
where:
bonds (distance) C4'-P energy: -30.037
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -19.359
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: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -345.089410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.089410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.089410 (E_RNA)
where:
Base-Base interactions energy: -210.772
where: short stacking energy: -94.634
Base-Backbone interact. energy: -1.161
local terms energy: -133.156602
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: -25.345
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: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -181.554828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.554828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.554828 (E_RNA)
where:
Base-Base interactions energy: -72.965
where: short stacking energy: -70.245
Base-Backbone interact. energy: -0.466
local terms energy: -108.124260
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -25.285
flat angles C4'-P-C4' energy: -26.080
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -9.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -174.747206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.747206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.747206 (E_RNA)
where:
Base-Base interactions energy: -70.266
where: short stacking energy: -70.266
Base-Backbone interact. energy: 1.838
local terms energy: -106.319143
where:
bonds (distance) C4'-P energy: -25.392
bonds (distance) P-C4' energy: -27.373
flat angles C4'-P-C4' energy: -26.659
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -9.584
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: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -149.603678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.603678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.603678 (E_RNA)
where:
Base-Base interactions energy: -61.355
where: short stacking energy: -63.451
Base-Backbone interact. energy: 0.006
local terms energy: -88.254254
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -29.861
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -547.773624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.773624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.773624 (E_RNA)
where:
Base-Base interactions energy: -376.682
where: short stacking energy: -174.819
Base-Backbone interact. energy: -0.594
local terms energy: -170.498245
where:
bonds (distance) C4'-P energy: -31.303
bonds (distance) P-C4' energy: -33.799
flat angles C4'-P-C4' energy: -37.181
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -50.233
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: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -553.398481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.398481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.398481 (E_RNA)
where:
Base-Base interactions energy: -373.716
where: short stacking energy: -184.773
Base-Backbone interact. energy: -0.522
local terms energy: -179.160030
where:
bonds (distance) C4'-P energy: -32.058
bonds (distance) P-C4' energy: -32.288
flat angles C4'-P-C4' energy: -36.475
flat angles P-C4'-P energy: -24.189
tors. eta vs tors. theta energy: -54.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -463.429340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.429340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.429340 (E_RNA)
where:
Base-Base interactions energy: -308.141
where: short stacking energy: -154.524
Base-Backbone interact. energy: -0.933
local terms energy: -154.354417
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -31.585
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -37.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -466.358745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.358745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.358745 (E_RNA)
where:
Base-Base interactions energy: -311.073
where: short stacking energy: -150.414
Base-Backbone interact. energy: -0.441
local terms energy: -154.844129
where:
bonds (distance) C4'-P energy: -31.466
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -31.758
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -41.500
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: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -441.458275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.458275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.458275 (E_RNA)
where:
Base-Base interactions energy: -288.319
where: short stacking energy: -139.095
Base-Backbone interact. energy: -0.268
local terms energy: -152.871190
where:
bonds (distance) C4'-P energy: -27.925
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -32.309
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -39.461
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: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -413.456498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.456498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.456498 (E_RNA)
where:
Base-Base interactions energy: -269.996
where: short stacking energy: -133.632
Base-Backbone interact. energy: -0.208
local terms energy: -143.252172
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -31.251
flat angles C4'-P-C4' energy: -32.897
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -34.971
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: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -328.891168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.891168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.891168 (E_RNA)
where:
Base-Base interactions energy: -192.379
where: short stacking energy: -122.094
Base-Backbone interact. energy: -0.190
local terms energy: -136.322242
where:
bonds (distance) C4'-P energy: -37.040
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -29.588
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -27.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -178.452931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.452931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.452931 (E_RNA)
where:
Base-Base interactions energy: -85.658
where: short stacking energy: -77.843
Base-Backbone interact. energy: -0.851
local terms energy: -91.943451
where:
bonds (distance) C4'-P energy: -23.881
bonds (distance) P-C4' energy: -29.614
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -5.300
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: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -168.085285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.085285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.085285 (E_RNA)
where:
Base-Base interactions energy: -71.880
where: short stacking energy: -63.068
Base-Backbone interact. energy: -0.055
local terms energy: -96.150470
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -6.594
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: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -162.549748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.549748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.549748 (E_RNA)
where:
Base-Base interactions energy: -76.817
where: short stacking energy: -69.376
Base-Backbone interact. energy: 1.316
local terms energy: -87.049183
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -29.892
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -7.025
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: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -549.718791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.718791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.718791 (E_RNA)
where:
Base-Base interactions energy: -374.115
where: short stacking energy: -172.552
Base-Backbone interact. energy: -0.076
local terms energy: -175.527728
where:
bonds (distance) C4'-P energy: -29.079
bonds (distance) P-C4' energy: -33.315
flat angles C4'-P-C4' energy: -39.203
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -47.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -542.934147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.934147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.934147 (E_RNA)
where:
Base-Base interactions energy: -366.904
where: short stacking energy: -179.380
Base-Backbone interact. energy: -1.407
local terms energy: -174.622168
where:
bonds (distance) C4'-P energy: -27.970
bonds (distance) P-C4' energy: -33.437
flat angles C4'-P-C4' energy: -34.824
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -52.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -461.395947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.395947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.395947 (E_RNA)
where:
Base-Base interactions energy: -302.818
where: short stacking energy: -143.208
Base-Backbone interact. energy: -1.642
local terms energy: -156.936640
where:
bonds (distance) C4'-P energy: -28.685
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -32.988
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -41.354
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: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -480.411903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.411903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.411903 (E_RNA)
where:
Base-Base interactions energy: -316.323
where: short stacking energy: -157.301
Base-Backbone interact. energy: -1.876
local terms energy: -162.213256
where:
bonds (distance) C4'-P energy: -31.713
bonds (distance) P-C4' energy: -30.637
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: -44.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -464.367418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.367418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.367418 (E_RNA)
where:
Base-Base interactions energy: -303.169
where: short stacking energy: -160.738
Base-Backbone interact. energy: -0.326
local terms energy: -160.873001
where:
bonds (distance) C4'-P energy: -32.507
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -45.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -346.300499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.300499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.300499 (E_RNA)
where:
Base-Base interactions energy: -206.239
where: short stacking energy: -118.350
Base-Backbone interact. energy: 1.461
local terms energy: -141.522575
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -33.621
flat angles P-C4'-P energy: -23.153
tors. eta vs tors. theta energy: -25.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -384.645117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.645117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.645117 (E_RNA)
where:
Base-Base interactions energy: -251.850
where: short stacking energy: -112.635
Base-Backbone interact. energy: -0.823
local terms energy: -131.971779
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -29.589
flat angles C4'-P-C4' energy: -34.931
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -28.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -175.762461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.762461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.762461 (E_RNA)
where:
Base-Base interactions energy: -68.938
where: short stacking energy: -63.845
Base-Backbone interact. energy: -0.205
local terms energy: -106.619496
where:
bonds (distance) C4'-P energy: -31.582
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -183.913316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.913316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.913316 (E_RNA)
where:
Base-Base interactions energy: -74.657
where: short stacking energy: -63.484
Base-Backbone interact. energy: -1.100
local terms energy: -108.155979
where:
bonds (distance) C4'-P energy: -27.879
bonds (distance) P-C4' energy: -32.285
flat angles C4'-P-C4' energy: -28.988
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -4.900
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: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -157.454844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.454844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.454844 (E_RNA)
where:
Base-Base interactions energy: -65.516
where: short stacking energy: -52.639
Base-Backbone interact. energy: 0.912
local terms energy: -92.851674
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -30.431
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -549.029680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.029680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.029680 (E_RNA)
where:
Base-Base interactions energy: -378.887
where: short stacking energy: -178.163
Base-Backbone interact. energy: -0.090
local terms energy: -170.052021
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -30.016
flat angles C4'-P-C4' energy: -35.607
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -51.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -544.835763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.835763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.835763 (E_RNA)
where:
Base-Base interactions energy: -368.626
where: short stacking energy: -176.251
Base-Backbone interact. energy: -0.740
local terms energy: -175.470400
where:
bonds (distance) C4'-P energy: -31.729
bonds (distance) P-C4' energy: -30.533
flat angles C4'-P-C4' energy: -37.874
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -49.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -498.043430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.043430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.043430 (E_RNA)
where:
Base-Base interactions energy: -330.284
where: short stacking energy: -161.778
Base-Backbone interact. energy: -2.555
local terms energy: -165.204391
where:
bonds (distance) C4'-P energy: -31.895
bonds (distance) P-C4' energy: -35.270
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: -42.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -442.594146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.594146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.594146 (E_RNA)
where:
Base-Base interactions energy: -282.093
where: short stacking energy: -142.558
Base-Backbone interact. energy: -0.945
local terms energy: -159.556737
where:
bonds (distance) C4'-P energy: -32.182
bonds (distance) P-C4' energy: -35.753
flat angles C4'-P-C4' energy: -33.682
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -40.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -459.734574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.734574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.734574 (E_RNA)
where:
Base-Base interactions energy: -316.030
where: short stacking energy: -157.260
Base-Backbone interact. energy: -0.087
local terms energy: -143.618329
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -32.679
flat angles C4'-P-C4' energy: -26.930
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -37.411
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: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -382.838352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.838352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.838352 (E_RNA)
where:
Base-Base interactions energy: -250.949
where: short stacking energy: -134.431
Base-Backbone interact. energy: -0.114
local terms energy: -131.774612
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -27.421
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: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -375.145778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.145778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.145778 (E_RNA)
where:
Base-Base interactions energy: -233.769
where: short stacking energy: -128.633
Base-Backbone interact. energy: -0.181
local terms energy: -141.195518
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -26.497
flat angles C4'-P-C4' energy: -32.520
flat angles P-C4'-P energy: -25.567
tors. eta vs tors. theta energy: -35.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -205.840837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.840837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.840837 (E_RNA)
where:
Base-Base interactions energy: -97.054
where: short stacking energy: -71.379
Base-Backbone interact. energy: -1.148
local terms energy: -107.638598
where:
bonds (distance) C4'-P energy: -29.809
bonds (distance) P-C4' energy: -30.831
flat angles C4'-P-C4' energy: -27.986
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -165.768665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.768665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.768665 (E_RNA)
where:
Base-Base interactions energy: -73.067
where: short stacking energy: -67.676
Base-Backbone interact. energy: 2.261
local terms energy: -94.962567
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -32.208
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: 0.792
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: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -173.594389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.594389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.594389 (E_RNA)
where:
Base-Base interactions energy: -71.544
where: short stacking energy: -65.360
Base-Backbone interact. energy: -0.341
local terms energy: -101.709001
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -33.252
flat angles C4'-P-C4' energy: -26.766
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: 0.515
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: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -563.650913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.650913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.650913 (E_RNA)
where:
Base-Base interactions energy: -374.950
where: short stacking energy: -190.048
Base-Backbone interact. energy: -0.290
local terms energy: -188.411023
where:
bonds (distance) C4'-P energy: -32.618
bonds (distance) P-C4' energy: -30.373
flat angles C4'-P-C4' energy: -39.322
flat angles P-C4'-P energy: -29.957
tors. eta vs tors. theta energy: -56.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -547.486786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.486786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.486786 (E_RNA)
where:
Base-Base interactions energy: -368.066
where: short stacking energy: -171.256
Base-Backbone interact. energy: 1.155
local terms energy: -180.575499
where:
bonds (distance) C4'-P energy: -29.646
bonds (distance) P-C4' energy: -36.228
flat angles C4'-P-C4' energy: -36.672
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: -49.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -499.293229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.293229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.293229 (E_RNA)
where:
Base-Base interactions energy: -330.996
where: short stacking energy: -166.158
Base-Backbone interact. energy: -0.382
local terms energy: -167.915026
where:
bonds (distance) C4'-P energy: -31.021
bonds (distance) P-C4' energy: -33.670
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -46.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -442.626150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.626150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.626150 (E_RNA)
where:
Base-Base interactions energy: -296.791
where: short stacking energy: -145.673
Base-Backbone interact. energy: -2.002
local terms energy: -143.832533
where:
bonds (distance) C4'-P energy: -27.184
bonds (distance) P-C4' energy: -29.788
flat angles C4'-P-C4' energy: -29.456
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -35.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -457.262989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.262989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.262989 (E_RNA)
where:
Base-Base interactions energy: -300.380
where: short stacking energy: -146.052
Base-Backbone interact. energy: -0.206
local terms energy: -156.676187
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -35.392
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -41.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -386.383285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.383285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.383285 (E_RNA)
where:
Base-Base interactions energy: -241.193
where: short stacking energy: -124.814
Base-Backbone interact. energy: 0.413
local terms energy: -145.603137
where:
bonds (distance) C4'-P energy: -28.682
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -34.568
flat angles P-C4'-P energy: -19.447
tors. eta vs tors. theta energy: -36.050
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: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -337.961462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.961462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.961462 (E_RNA)
where:
Base-Base interactions energy: -211.009
where: short stacking energy: -105.465
Base-Backbone interact. energy: 1.008
local terms energy: -127.960639
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -28.091
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -197.215250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.215250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.215250 (E_RNA)
where:
Base-Base interactions energy: -99.731
where: short stacking energy: -73.469
Base-Backbone interact. energy: 1.787
local terms energy: -99.270990
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -36.170
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -163.955882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.955882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.955882 (E_RNA)
where:
Base-Base interactions energy: -64.294
where: short stacking energy: -62.041
Base-Backbone interact. energy: -0.221
local terms energy: -99.440865
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -28.183
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -157.046845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.046845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.046845 (E_RNA)
where:
Base-Base interactions energy: -62.436
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.604
local terms energy: -94.006329
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -2.903
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: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -553.255005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.255005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.255005 (E_RNA)
where:
Base-Base interactions energy: -375.684
where: short stacking energy: -185.029
Base-Backbone interact. energy: -0.607
local terms energy: -176.964304
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -35.463
flat angles C4'-P-C4' energy: -37.417
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -52.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -522.963395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.963395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.963395 (E_RNA)
where:
Base-Base interactions energy: -353.407
where: short stacking energy: -167.766
Base-Backbone interact. energy: -0.097
local terms energy: -169.459480
where:
bonds (distance) C4'-P energy: -31.883
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -36.925
flat angles P-C4'-P energy: -25.078
tors. eta vs tors. theta energy: -49.045
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: 62
Temperature: 1.000000
Total energy: -459.572203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.572203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.572203 (E_RNA)
where:
Base-Base interactions energy: -304.316
where: short stacking energy: -150.273
Base-Backbone interact. energy: 0.090
local terms energy: -155.345800
where:
bonds (distance) C4'-P energy: -35.229
bonds (distance) P-C4' energy: -26.592
flat angles C4'-P-C4' energy: -35.256
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -38.125
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: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -489.011444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.011444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.011444 (E_RNA)
where:
Base-Base interactions energy: -322.418
where: short stacking energy: -151.275
Base-Backbone interact. energy: -1.151
local terms energy: -165.442849
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -33.186
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -24.058
tors. eta vs tors. theta energy: -44.546
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: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -455.209708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.209708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.209708 (E_RNA)
where:
Base-Base interactions energy: -297.938
where: short stacking energy: -149.014
Base-Backbone interact. energy: -0.490
local terms energy: -156.781268
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -45.960
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: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -366.741551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.741551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.741551 (E_RNA)
where:
Base-Base interactions energy: -230.021
where: short stacking energy: -134.988
Base-Backbone interact. energy: -0.420
local terms energy: -136.300529
where:
bonds (distance) C4'-P energy: -29.444
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -35.141
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -29.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -360.336723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.336723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.336723 (E_RNA)
where:
Base-Base interactions energy: -232.793
where: short stacking energy: -121.198
Base-Backbone interact. energy: -1.170
local terms energy: -126.373173
where:
bonds (distance) C4'-P energy: -26.409
bonds (distance) P-C4' energy: -26.914
flat angles C4'-P-C4' energy: -28.760
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -25.548
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: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -184.717955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.717955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.717955 (E_RNA)
where:
Base-Base interactions energy: -61.769
where: short stacking energy: -61.288
Base-Backbone interact. energy: 0.002
local terms energy: -122.950944
where:
bonds (distance) C4'-P energy: -32.811
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -7.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -163.461200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.461200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.461200 (E_RNA)
where:
Base-Base interactions energy: -53.413
where: short stacking energy: -44.624
Base-Backbone interact. energy: 0.876
local terms energy: -110.923850
where:
bonds (distance) C4'-P energy: -33.076
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -222.464962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.464962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.464962 (E_RNA)
where:
Base-Base interactions energy: -110.304
where: short stacking energy: -78.351
Base-Backbone interact. energy: -0.089
local terms energy: -112.071644
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -24.613
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -557.462681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.462681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.462681 (E_RNA)
where:
Base-Base interactions energy: -374.967
where: short stacking energy: -182.699
Base-Backbone interact. energy: -1.140
local terms energy: -181.355656
where:
bonds (distance) C4'-P energy: -30.926
bonds (distance) P-C4' energy: -32.943
flat angles C4'-P-C4' energy: -37.104
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: -52.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -532.625948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.625948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.625948 (E_RNA)
where:
Base-Base interactions energy: -365.539
where: short stacking energy: -170.968
Base-Backbone interact. energy: -0.464
local terms energy: -166.622456
where:
bonds (distance) C4'-P energy: -32.387
bonds (distance) P-C4' energy: -28.997
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -43.040
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: 63
Temperature: 1.000000
Total energy: -451.295177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.295177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.295177 (E_RNA)
where:
Base-Base interactions energy: -303.620
where: short stacking energy: -144.290
Base-Backbone interact. energy: -1.533
local terms energy: -146.141828
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -34.755
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -35.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -481.438096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.438096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.438096 (E_RNA)
where:
Base-Base interactions energy: -316.452
where: short stacking energy: -146.108
Base-Backbone interact. energy: -1.351
local terms energy: -163.634756
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -33.670
flat angles P-C4'-P energy: -27.504
tors. eta vs tors. theta energy: -40.046
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: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -445.009277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.009277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.009277 (E_RNA)
where:
Base-Base interactions energy: -303.523
where: short stacking energy: -152.579
Base-Backbone interact. energy: -0.689
local terms energy: -140.796903
where:
bonds (distance) C4'-P energy: -29.606
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -29.636
flat angles P-C4'-P energy: -21.784
tors. eta vs tors. theta energy: -38.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -383.690320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.690320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.690320 (E_RNA)
where:
Base-Base interactions energy: -252.578
where: short stacking energy: -130.828
Base-Backbone interact. energy: -0.380
local terms energy: -130.731983
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -28.741
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -25.787
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: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -350.235849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.235849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.235849 (E_RNA)
where:
Base-Base interactions energy: -207.448
where: short stacking energy: -125.575
Base-Backbone interact. energy: -1.956
local terms energy: -140.831540
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -36.051
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -33.912
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: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -227.666677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.666677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.666677 (E_RNA)
where:
Base-Base interactions energy: -119.190
where: short stacking energy: -71.628
Base-Backbone interact. energy: -0.350
local terms energy: -108.127083
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -26.788
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -173.108671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.108671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.108671 (E_RNA)
where:
Base-Base interactions energy: -77.908
where: short stacking energy: -64.316
Base-Backbone interact. energy: -0.761
local terms energy: -94.439273
where:
bonds (distance) C4'-P energy: -23.607
bonds (distance) P-C4' energy: -28.893
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -7.447
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: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -200.295096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.295096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.295096 (E_RNA)
where:
Base-Base interactions energy: -98.436
where: short stacking energy: -60.079
Base-Backbone interact. energy: -0.597
local terms energy: -101.262139
where:
bonds (distance) C4'-P energy: -33.683
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -555.424759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.424759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.424759 (E_RNA)
where:
Base-Base interactions energy: -382.615
where: short stacking energy: -166.851
Base-Backbone interact. energy: -0.474
local terms energy: -172.335546
where:
bonds (distance) C4'-P energy: -30.406
bonds (distance) P-C4' energy: -30.046
flat angles C4'-P-C4' energy: -35.850
flat angles P-C4'-P energy: -27.628
tors. eta vs tors. theta energy: -48.406
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: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -541.666265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.666265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.666265 (E_RNA)
where:
Base-Base interactions energy: -364.173
where: short stacking energy: -176.360
Base-Backbone interact. energy: -0.049
local terms energy: -177.444908
where:
bonds (distance) C4'-P energy: -28.835
bonds (distance) P-C4' energy: -35.325
flat angles C4'-P-C4' energy: -36.098
flat angles P-C4'-P energy: -26.159
tors. eta vs tors. theta energy: -51.028
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: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -482.703125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.703125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.703125 (E_RNA)
where:
Base-Base interactions energy: -324.507
where: short stacking energy: -150.371
Base-Backbone interact. energy: -0.959
local terms energy: -157.237008
where:
bonds (distance) C4'-P energy: -27.573
bonds (distance) P-C4' energy: -31.612
flat angles C4'-P-C4' energy: -34.326
flat angles P-C4'-P energy: -21.917
tors. eta vs tors. theta energy: -41.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -435.805514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.805514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.805514 (E_RNA)
where:
Base-Base interactions energy: -294.362
where: short stacking energy: -155.783
Base-Backbone interact. energy: 1.627
local terms energy: -143.070268
where:
bonds (distance) C4'-P energy: -27.821
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -29.808
flat angles P-C4'-P energy: -25.434
tors. eta vs tors. theta energy: -36.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -439.237106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.237106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.237106 (E_RNA)
where:
Base-Base interactions energy: -289.208
where: short stacking energy: -150.143
Base-Backbone interact. energy: -0.936
local terms energy: -149.092861
where:
bonds (distance) C4'-P energy: -33.183
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -32.627
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -41.491
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: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -379.927386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.927386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.927386 (E_RNA)
where:
Base-Base interactions energy: -242.279
where: short stacking energy: -129.357
Base-Backbone interact. energy: -1.501
local terms energy: -136.146891
where:
bonds (distance) C4'-P energy: -28.279
bonds (distance) P-C4' energy: -28.088
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -29.747
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: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -352.185408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.185408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.185408 (E_RNA)
where:
Base-Base interactions energy: -212.866
where: short stacking energy: -126.383
Base-Backbone interact. energy: 0.591
local terms energy: -139.910468
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -27.855
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -32.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -212.171360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.171360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.171360 (E_RNA)
where:
Base-Base interactions energy: -99.761
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.093
local terms energy: -112.317305
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -28.868
flat angles P-C4'-P energy: -22.107
tors. eta vs tors. theta energy: -5.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -212.181080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.181080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.181080 (E_RNA)
where:
Base-Base interactions energy: -111.277
where: short stacking energy: -63.167
Base-Backbone interact. energy: -0.426
local terms energy: -100.478292
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -30.647
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -1.249
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: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -175.908621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.908621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.908621 (E_RNA)
where:
Base-Base interactions energy: -74.468
where: short stacking energy: -50.452
Base-Backbone interact. energy: -0.260
local terms energy: -101.180064
where:
bonds (distance) C4'-P energy: -28.121
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -553.023062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.023062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.023062 (E_RNA)
where:
Base-Base interactions energy: -378.419
where: short stacking energy: -176.858
Base-Backbone interact. energy: -0.705
local terms energy: -173.898782
where:
bonds (distance) C4'-P energy: -33.783
bonds (distance) P-C4' energy: -34.921
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -27.796
tors. eta vs tors. theta energy: -44.806
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: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -513.483394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.483394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.483394 (E_RNA)
where:
Base-Base interactions energy: -338.051
where: short stacking energy: -149.840
Base-Backbone interact. energy: -0.944
local terms energy: -174.488861
where:
bonds (distance) C4'-P energy: -35.874
bonds (distance) P-C4' energy: -33.183
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -27.210
tors. eta vs tors. theta energy: -41.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -522.364536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.364536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.364536 (E_RNA)
where:
Base-Base interactions energy: -350.990
where: short stacking energy: -177.649
Base-Backbone interact. energy: -0.312
local terms energy: -171.062379
where:
bonds (distance) C4'-P energy: -28.305
bonds (distance) P-C4' energy: -26.384
flat angles C4'-P-C4' energy: -36.747
flat angles P-C4'-P energy: -29.267
tors. eta vs tors. theta energy: -50.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -457.929871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.929871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.929871 (E_RNA)
where:
Base-Base interactions energy: -305.463
where: short stacking energy: -155.094
Base-Backbone interact. energy: -0.312
local terms energy: -152.155065
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -26.119
flat angles C4'-P-C4' energy: -35.538
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -39.539
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: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -421.262686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.262686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.262686 (E_RNA)
where:
Base-Base interactions energy: -270.013
where: short stacking energy: -145.003
Base-Backbone interact. energy: -0.015
local terms energy: -151.234842
where:
bonds (distance) C4'-P energy: -27.440
bonds (distance) P-C4' energy: -30.110
flat angles C4'-P-C4' energy: -29.505
flat angles P-C4'-P energy: -24.587
tors. eta vs tors. theta energy: -39.593
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: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -384.395493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.395493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.395493 (E_RNA)
where:
Base-Base interactions energy: -249.358
where: short stacking energy: -120.153
Base-Backbone interact. energy: -0.040
local terms energy: -134.997357
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -30.258
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -27.950
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: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -337.057722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.057722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.057722 (E_RNA)
where:
Base-Base interactions energy: -212.446
where: short stacking energy: -123.991
Base-Backbone interact. energy: -1.271
local terms energy: -123.340797
where:
bonds (distance) C4'-P energy: -25.122
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -27.310
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: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -201.181254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.181254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.181254 (E_RNA)
where:
Base-Base interactions energy: -101.321
where: short stacking energy: -68.890
Base-Backbone interact. energy: 0.553
local terms energy: -100.413631
where:
bonds (distance) C4'-P energy: -29.253
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -185.714561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.714561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.714561 (E_RNA)
where:
Base-Base interactions energy: -91.286
where: short stacking energy: -67.939
Base-Backbone interact. energy: 0.916
local terms energy: -95.344520
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -32.266
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -6.876
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: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -183.426873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.426873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.426873 (E_RNA)
where:
Base-Base interactions energy: -91.017
where: short stacking energy: -61.384
Base-Backbone interact. energy: 0.207
local terms energy: -92.617551
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -11.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -538.209452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.209452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.209452 (E_RNA)
where:
Base-Base interactions energy: -361.785
where: short stacking energy: -166.296
Base-Backbone interact. energy: -0.145
local terms energy: -176.280269
where:
bonds (distance) C4'-P energy: -26.447
bonds (distance) P-C4' energy: -37.146
flat angles C4'-P-C4' energy: -39.271
flat angles P-C4'-P energy: -24.755
tors. eta vs tors. theta energy: -48.661
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: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -514.331304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.331304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.331304 (E_RNA)
where:
Base-Base interactions energy: -343.077
where: short stacking energy: -167.318
Base-Backbone interact. energy: -0.609
local terms energy: -170.645112
where:
bonds (distance) C4'-P energy: -35.905
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -34.624
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: -43.213
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: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -519.392885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.392885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.392885 (E_RNA)
where:
Base-Base interactions energy: -353.713
where: short stacking energy: -171.130
Base-Backbone interact. energy: -1.442
local terms energy: -164.236996
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -33.618
flat angles C4'-P-C4' energy: -36.370
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -45.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -469.906845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.906845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.906845 (E_RNA)
where:
Base-Base interactions energy: -307.149
where: short stacking energy: -155.482
Base-Backbone interact. energy: 0.106
local terms energy: -162.864310
where:
bonds (distance) C4'-P energy: -27.014
bonds (distance) P-C4' energy: -30.284
flat angles C4'-P-C4' energy: -33.650
flat angles P-C4'-P energy: -30.397
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: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -434.816614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.816614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.816614 (E_RNA)
where:
Base-Base interactions energy: -284.821
where: short stacking energy: -146.688
Base-Backbone interact. energy: -0.334
local terms energy: -149.661307
where:
bonds (distance) C4'-P energy: -29.016
bonds (distance) P-C4' energy: -34.254
flat angles C4'-P-C4' energy: -31.024
flat angles P-C4'-P energy: -20.315
tors. eta vs tors. theta energy: -35.052
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: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -356.178265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.178265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.178265 (E_RNA)
where:
Base-Base interactions energy: -210.140
where: short stacking energy: -114.383
Base-Backbone interact. energy: -0.604
local terms energy: -145.433950
where:
bonds (distance) C4'-P energy: -30.453
bonds (distance) P-C4' energy: -30.802
flat angles C4'-P-C4' energy: -30.755
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: -29.234
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: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -349.486384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.486384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.486384 (E_RNA)
where:
Base-Base interactions energy: -214.289
where: short stacking energy: -120.360
Base-Backbone interact. energy: -0.393
local terms energy: -134.804091
where:
bonds (distance) C4'-P energy: -29.432
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -26.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -175.170797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.170797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.170797 (E_RNA)
where:
Base-Base interactions energy: -66.804
where: short stacking energy: -58.716
Base-Backbone interact. energy: -0.948
local terms energy: -107.418357
where:
bonds (distance) C4'-P energy: -23.010
bonds (distance) P-C4' energy: -33.778
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -18.181
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: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -216.848499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.848499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.848499 (E_RNA)
where:
Base-Base interactions energy: -108.572
where: short stacking energy: -72.713
Base-Backbone interact. energy: -0.405
local terms energy: -107.870967
where:
bonds (distance) C4'-P energy: -32.072
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -29.423
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -166.870118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.870118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.870118 (E_RNA)
where:
Base-Base interactions energy: -64.502
where: short stacking energy: -55.783
Base-Backbone interact. energy: 2.049
local terms energy: -104.416910
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -31.656
flat angles C4'-P-C4' energy: -33.519
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -549.808042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.808042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.808042 (E_RNA)
where:
Base-Base interactions energy: -376.066
where: short stacking energy: -173.931
Base-Backbone interact. energy: -0.218
local terms energy: -173.523620
where:
bonds (distance) C4'-P energy: -37.152
bonds (distance) P-C4' energy: -35.773
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -26.487
tors. eta vs tors. theta energy: -45.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -535.822077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.822077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.822077 (E_RNA)
where:
Base-Base interactions energy: -365.717
where: short stacking energy: -180.953
Base-Backbone interact. energy: 0.300
local terms energy: -170.404806
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -29.446
flat angles C4'-P-C4' energy: -39.656
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: -51.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -481.002888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.002888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.002888 (E_RNA)
where:
Base-Base interactions energy: -314.137
where: short stacking energy: -150.676
Base-Backbone interact. energy: -1.509
local terms energy: -165.356713
where:
bonds (distance) C4'-P energy: -29.681
bonds (distance) P-C4' energy: -32.684
flat angles C4'-P-C4' energy: -36.858
flat angles P-C4'-P energy: -27.107
tors. eta vs tors. theta energy: -39.027
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: 67
Temperature: 1.050000
Total energy: -455.674651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.674651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.674651 (E_RNA)
where:
Base-Base interactions energy: -302.841
where: short stacking energy: -146.905
Base-Backbone interact. energy: -0.124
local terms energy: -152.709989
where:
bonds (distance) C4'-P energy: -30.126
bonds (distance) P-C4' energy: -34.824
flat angles C4'-P-C4' energy: -34.123
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -37.641
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: 67
Temperature: 1.100000
Total energy: -448.513252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.513252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.513252 (E_RNA)
where:
Base-Base interactions energy: -280.460
where: short stacking energy: -150.642
Base-Backbone interact. energy: -0.881
local terms energy: -167.172191
where:
bonds (distance) C4'-P energy: -25.548
bonds (distance) P-C4' energy: -33.815
flat angles C4'-P-C4' energy: -35.758
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -48.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -386.167091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.167091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.167091 (E_RNA)
where:
Base-Base interactions energy: -253.781
where: short stacking energy: -138.376
Base-Backbone interact. energy: -0.105
local terms energy: -132.281098
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -25.665
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -27.027
tors. eta vs tors. theta energy: -29.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -335.536839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.536839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.536839 (E_RNA)
where:
Base-Base interactions energy: -207.325
where: short stacking energy: -109.328
Base-Backbone interact. energy: -2.139
local terms energy: -126.073563
where:
bonds (distance) C4'-P energy: -33.869
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -24.512
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: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -185.691343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.691343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.691343 (E_RNA)
where:
Base-Base interactions energy: -80.133
where: short stacking energy: -59.344
Base-Backbone interact. energy: -0.478
local terms energy: -105.080781
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -27.499
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -21.215
tors. eta vs tors. theta energy: -8.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -172.145227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.145227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.145227 (E_RNA)
where:
Base-Base interactions energy: -70.648
where: short stacking energy: -64.600
Base-Backbone interact. energy: -0.589
local terms energy: -100.908184
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -35.388
flat angles C4'-P-C4' energy: -24.988
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -156.929526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.929526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.929526 (E_RNA)
where:
Base-Base interactions energy: -55.484
where: short stacking energy: -46.095
Base-Backbone interact. energy: -0.985
local terms energy: -100.460401
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -24.587
flat angles C4'-P-C4' energy: -31.148
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: 4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -537.815201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.815201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.815201 (E_RNA)
where:
Base-Base interactions energy: -360.638
where: short stacking energy: -175.916
Base-Backbone interact. energy: -0.137
local terms energy: -177.039811
where:
bonds (distance) C4'-P energy: -32.557
bonds (distance) P-C4' energy: -35.512
flat angles C4'-P-C4' energy: -37.600
flat angles P-C4'-P energy: -21.863
tors. eta vs tors. theta energy: -49.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -540.948173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.948173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.948173 (E_RNA)
where:
Base-Base interactions energy: -369.891
where: short stacking energy: -168.003
Base-Backbone interact. energy: -0.075
local terms energy: -170.982523
where:
bonds (distance) C4'-P energy: -31.469
bonds (distance) P-C4' energy: -35.158
flat angles C4'-P-C4' energy: -39.457
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: -45.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -467.739109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.739109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.739109 (E_RNA)
where:
Base-Base interactions energy: -302.731
where: short stacking energy: -136.901
Base-Backbone interact. energy: -1.502
local terms energy: -163.506373
where:
bonds (distance) C4'-P energy: -33.895
bonds (distance) P-C4' energy: -36.208
flat angles C4'-P-C4' energy: -34.052
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: -34.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -461.803768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.803768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.803768 (E_RNA)
where:
Base-Base interactions energy: -310.444
where: short stacking energy: -145.343
Base-Backbone interact. energy: 1.352
local terms energy: -152.711587
where:
bonds (distance) C4'-P energy: -28.019
bonds (distance) P-C4' energy: -33.651
flat angles C4'-P-C4' energy: -30.715
flat angles P-C4'-P energy: -22.934
tors. eta vs tors. theta energy: -37.392
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: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -447.286767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.286767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.286767 (E_RNA)
where:
Base-Base interactions energy: -309.491
where: short stacking energy: -155.679
Base-Backbone interact. energy: 0.033
local terms energy: -137.827886
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -27.794
flat angles C4'-P-C4' energy: -34.387
flat angles P-C4'-P energy: -18.670
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: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -378.561998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.561998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.561998 (E_RNA)
where:
Base-Base interactions energy: -225.118
where: short stacking energy: -129.295
Base-Backbone interact. energy: -0.752
local terms energy: -152.692090
where:
bonds (distance) C4'-P energy: -32.291
bonds (distance) P-C4' energy: -31.625
flat angles C4'-P-C4' energy: -33.342
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -33.555
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: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -294.399681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.399681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.399681 (E_RNA)
where:
Base-Base interactions energy: -172.411
where: short stacking energy: -91.254
Base-Backbone interact. energy: -0.804
local terms energy: -121.184004
where:
bonds (distance) C4'-P energy: -24.678
bonds (distance) P-C4' energy: -28.616
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -23.484
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: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -204.416389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.416389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.416389 (E_RNA)
where:
Base-Base interactions energy: -108.888
where: short stacking energy: -64.571
Base-Backbone interact. energy: -0.614
local terms energy: -94.914809
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -25.193
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -6.640
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: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -161.633460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.633460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.633460 (E_RNA)
where:
Base-Base interactions energy: -79.185
where: short stacking energy: -61.240
Base-Backbone interact. energy: 1.519
local terms energy: -83.967410
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: 2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -162.621459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.621459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.621459 (E_RNA)
where:
Base-Base interactions energy: -64.958
where: short stacking energy: -64.681
Base-Backbone interact. energy: -0.146
local terms energy: -97.517415
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -27.940
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -564.729451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.729451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.729451 (E_RNA)
where:
Base-Base interactions energy: -384.678
where: short stacking energy: -178.782
Base-Backbone interact. energy: -0.049
local terms energy: -180.002986
where:
bonds (distance) C4'-P energy: -31.013
bonds (distance) P-C4' energy: -31.226
flat angles C4'-P-C4' energy: -36.545
flat angles P-C4'-P energy: -29.539
tors. eta vs tors. theta energy: -51.679
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: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -546.700535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.700535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.700535 (E_RNA)
where:
Base-Base interactions energy: -375.072
where: short stacking energy: -173.672
Base-Backbone interact. energy: -0.621
local terms energy: -171.007268
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -32.382
flat angles C4'-P-C4' energy: -35.656
flat angles P-C4'-P energy: -24.582
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -488.431060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.431060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.431060 (E_RNA)
where:
Base-Base interactions energy: -332.876
where: short stacking energy: -154.212
Base-Backbone interact. energy: -2.129
local terms energy: -153.426635
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -39.617
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: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -472.141635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.141635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.141635 (E_RNA)
where:
Base-Base interactions energy: -315.055
where: short stacking energy: -150.642
Base-Backbone interact. energy: -1.445
local terms energy: -155.641867
where:
bonds (distance) C4'-P energy: -34.859
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -32.341
flat angles P-C4'-P energy: -22.914
tors. eta vs tors. theta energy: -40.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -454.206643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.206643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.206643 (E_RNA)
where:
Base-Base interactions energy: -306.970
where: short stacking energy: -150.401
Base-Backbone interact. energy: -1.053
local terms energy: -146.183744
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -30.009
flat angles C4'-P-C4' energy: -32.432
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -40.066
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: 69
Temperature: 1.150000
Total energy: -349.978685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.978685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.978685 (E_RNA)
where:
Base-Base interactions energy: -221.779
where: short stacking energy: -110.157
Base-Backbone interact. energy: -0.538
local terms energy: -127.661154
where:
bonds (distance) C4'-P energy: -28.995
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -31.940
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -23.951
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: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -259.971698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.971698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.971698 (E_RNA)
where:
Base-Base interactions energy: -131.717
where: short stacking energy: -82.331
Base-Backbone interact. energy: -0.781
local terms energy: -127.472905
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -27.343
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -191.312306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.312306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.312306 (E_RNA)
where:
Base-Base interactions energy: -98.319
where: short stacking energy: -63.314
Base-Backbone interact. energy: 0.099
local terms energy: -93.091668
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -185.126072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.126072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.126072 (E_RNA)
where:
Base-Base interactions energy: -80.476
where: short stacking energy: -56.140
Base-Backbone interact. energy: -0.530
local terms energy: -104.120385
where:
bonds (distance) C4'-P energy: -32.808
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: 3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -153.017732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.017732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.017732 (E_RNA)
where:
Base-Base interactions energy: -59.605
where: short stacking energy: -57.329
Base-Backbone interact. energy: 0.270
local terms energy: -93.682593
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -29.622
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -1.674
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: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -549.532711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.532711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.532711 (E_RNA)
where:
Base-Base interactions energy: -366.796
where: short stacking energy: -172.685
Base-Backbone interact. energy: -1.854
local terms energy: -180.882527
where:
bonds (distance) C4'-P energy: -33.559
bonds (distance) P-C4' energy: -34.447
flat angles C4'-P-C4' energy: -34.780
flat angles P-C4'-P energy: -26.545
tors. eta vs tors. theta energy: -51.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -552.532074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.532074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.532074 (E_RNA)
where:
Base-Base interactions energy: -382.468
where: short stacking energy: -160.214
Base-Backbone interact. energy: 0.022
local terms energy: -170.085919
where:
bonds (distance) C4'-P energy: -31.293
bonds (distance) P-C4' energy: -39.855
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -45.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -484.343408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.343408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.343408 (E_RNA)
where:
Base-Base interactions energy: -322.487
where: short stacking energy: -147.158
Base-Backbone interact. energy: -0.689
local terms energy: -161.167375
where:
bonds (distance) C4'-P energy: -35.699
bonds (distance) P-C4' energy: -32.414
flat angles C4'-P-C4' energy: -36.017
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -35.151
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: 70
Temperature: 1.050000
Total energy: -489.874983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.874983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.874983 (E_RNA)
where:
Base-Base interactions energy: -332.182
where: short stacking energy: -164.729
Base-Backbone interact. energy: -1.326
local terms energy: -156.367185
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -35.635
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -43.056
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: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -459.413659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.413659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.413659 (E_RNA)
where:
Base-Base interactions energy: -307.461
where: short stacking energy: -150.650
Base-Backbone interact. energy: -0.224
local terms energy: -151.728517
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -30.276
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -41.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -368.004096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.004096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.004096 (E_RNA)
where:
Base-Base interactions energy: -231.946
where: short stacking energy: -127.857
Base-Backbone interact. energy: -0.156
local terms energy: -135.901701
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -38.135
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -32.266
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: 70
Temperature: 1.200000
Total energy: -284.978406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.978406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.978406 (E_RNA)
where:
Base-Base interactions energy: -157.107
where: short stacking energy: -108.282
Base-Backbone interact. energy: -0.310
local terms energy: -127.560790
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -33.714
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -177.937116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.937116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.937116 (E_RNA)
where:
Base-Base interactions energy: -75.654
where: short stacking energy: -63.729
Base-Backbone interact. energy: -0.409
local terms energy: -101.873695
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -25.686
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -175.762386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.762386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.762386 (E_RNA)
where:
Base-Base interactions energy: -84.441
where: short stacking energy: -62.964
Base-Backbone interact. energy: -1.361
local terms energy: -89.960049
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -26.961
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -5.534
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: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -155.680823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.680823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.680823 (E_RNA)
where:
Base-Base interactions energy: -58.360
where: short stacking energy: -46.014
Base-Backbone interact. energy: -0.372
local terms energy: -96.949577
where:
bonds (distance) C4'-P energy: -26.492
bonds (distance) P-C4' energy: -34.397
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: 4.457
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: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -552.153708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.153708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.153708 (E_RNA)
where:
Base-Base interactions energy: -366.037
where: short stacking energy: -179.732
Base-Backbone interact. energy: -0.881
local terms energy: -185.234992
where:
bonds (distance) C4'-P energy: -36.982
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -37.262
flat angles P-C4'-P energy: -27.969
tors. eta vs tors. theta energy: -48.718
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: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -539.148726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.148726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.148726 (E_RNA)
where:
Base-Base interactions energy: -366.187
where: short stacking energy: -172.226
Base-Backbone interact. energy: -0.002
local terms energy: -172.959929
where:
bonds (distance) C4'-P energy: -28.527
bonds (distance) P-C4' energy: -34.734
flat angles C4'-P-C4' energy: -35.961
flat angles P-C4'-P energy: -25.179
tors. eta vs tors. theta energy: -48.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -475.658232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.658232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.658232 (E_RNA)
where:
Base-Base interactions energy: -323.978
where: short stacking energy: -150.173
Base-Backbone interact. energy: -1.126
local terms energy: -150.554504
where:
bonds (distance) C4'-P energy: -27.067
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -33.349
flat angles P-C4'-P energy: -27.392
tors. eta vs tors. theta energy: -36.732
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: 71
Temperature: 1.050000
Total energy: -476.872695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.872695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.872695 (E_RNA)
where:
Base-Base interactions energy: -323.616
where: short stacking energy: -155.728
Base-Backbone interact. energy: -1.171
local terms energy: -152.085726
where:
bonds (distance) C4'-P energy: -28.585
bonds (distance) P-C4' energy: -30.159
flat angles C4'-P-C4' energy: -32.464
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -43.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -460.789624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.789624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.789624 (E_RNA)
where:
Base-Base interactions energy: -302.909
where: short stacking energy: -137.695
Base-Backbone interact. energy: -0.530
local terms energy: -157.349902
where:
bonds (distance) C4'-P energy: -32.861
bonds (distance) P-C4' energy: -34.407
flat angles C4'-P-C4' energy: -28.418
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -40.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -383.909285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.909285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.909285 (E_RNA)
where:
Base-Base interactions energy: -233.994
where: short stacking energy: -129.985
Base-Backbone interact. energy: -0.051
local terms energy: -149.865177
where:
bonds (distance) C4'-P energy: -28.980
bonds (distance) P-C4' energy: -28.104
flat angles C4'-P-C4' energy: -32.933
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -35.250
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: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -283.729109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.729109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.729109 (E_RNA)
where:
Base-Base interactions energy: -156.153
where: short stacking energy: -100.097
Base-Backbone interact. energy: -1.352
local terms energy: -126.224985
where:
bonds (distance) C4'-P energy: -29.255
bonds (distance) P-C4' energy: -27.313
flat angles C4'-P-C4' energy: -32.146
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -17.816
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: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -178.145494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.145494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.145494 (E_RNA)
where:
Base-Base interactions energy: -77.725
where: short stacking energy: -67.550
Base-Backbone interact. energy: -0.639
local terms energy: -99.781489
where:
bonds (distance) C4'-P energy: -27.591
bonds (distance) P-C4' energy: -30.169
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -170.795380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.795380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.795380 (E_RNA)
where:
Base-Base interactions energy: -62.112
where: short stacking energy: -48.407
Base-Backbone interact. energy: 0.944
local terms energy: -109.627188
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -31.497
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -25.683
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -160.550282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.550282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.550282 (E_RNA)
where:
Base-Base interactions energy: -59.863
where: short stacking energy: -56.170
Base-Backbone interact. energy: -0.174
local terms energy: -100.513065
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -30.268
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -12.949
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: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -550.771948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.771948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.771948 (E_RNA)
where:
Base-Base interactions energy: -362.815
where: short stacking energy: -181.627
Base-Backbone interact. energy: -0.492
local terms energy: -187.465082
where:
bonds (distance) C4'-P energy: -34.562
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -37.259
flat angles P-C4'-P energy: -26.279
tors. eta vs tors. theta energy: -54.498
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: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -538.919095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.919095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.919095 (E_RNA)
where:
Base-Base interactions energy: -363.532
where: short stacking energy: -155.882
Base-Backbone interact. energy: -0.429
local terms energy: -174.958100
where:
bonds (distance) C4'-P energy: -25.238
bonds (distance) P-C4' energy: -37.018
flat angles C4'-P-C4' energy: -36.693
flat angles P-C4'-P energy: -25.418
tors. eta vs tors. theta energy: -50.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -482.179885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.179885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.179885 (E_RNA)
where:
Base-Base interactions energy: -329.729
where: short stacking energy: -157.175
Base-Backbone interact. energy: -2.229
local terms energy: -150.221685
where:
bonds (distance) C4'-P energy: -29.331
bonds (distance) P-C4' energy: -31.664
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -21.729
tors. eta vs tors. theta energy: -37.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -476.753269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.753269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.753269 (E_RNA)
where:
Base-Base interactions energy: -318.492
where: short stacking energy: -155.068
Base-Backbone interact. energy: -0.053
local terms energy: -158.208275
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -33.817
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -45.325
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: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -465.781813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.781813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.781813 (E_RNA)
where:
Base-Base interactions energy: -310.902
where: short stacking energy: -146.547
Base-Backbone interact. energy: -0.189
local terms energy: -154.690074
where:
bonds (distance) C4'-P energy: -32.120
bonds (distance) P-C4' energy: -29.075
flat angles C4'-P-C4' energy: -34.895
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: -35.487
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: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -364.598564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.598564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.598564 (E_RNA)
where:
Base-Base interactions energy: -218.570
where: short stacking energy: -111.528
Base-Backbone interact. energy: -2.247
local terms energy: -143.782060
where:
bonds (distance) C4'-P energy: -26.925
bonds (distance) P-C4' energy: -29.537
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -33.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -296.048315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.048315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.048315 (E_RNA)
where:
Base-Base interactions energy: -171.258
where: short stacking energy: -106.937
Base-Backbone interact. energy: -1.063
local terms energy: -123.727448
where:
bonds (distance) C4'-P energy: -31.886
bonds (distance) P-C4' energy: -25.524
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -23.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -197.608379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.608379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.608379 (E_RNA)
where:
Base-Base interactions energy: -84.477
where: short stacking energy: -75.993
Base-Backbone interact. energy: -0.087
local terms energy: -113.043562
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -21.814
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: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -172.499169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.499169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.499169 (E_RNA)
where:
Base-Base interactions energy: -79.096
where: short stacking energy: -63.541
Base-Backbone interact. energy: 2.134
local terms energy: -95.536323
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -29.320
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: 2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -148.112007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.112007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.112007 (E_RNA)
where:
Base-Base interactions energy: -58.363
where: short stacking energy: -55.520
Base-Backbone interact. energy: 0.445
local terms energy: -90.194532
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: 1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -553.993801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.993801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.993801 (E_RNA)
where:
Base-Base interactions energy: -384.538
where: short stacking energy: -193.129
Base-Backbone interact. energy: -0.312
local terms energy: -169.143853
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -30.234
flat angles C4'-P-C4' energy: -37.084
flat angles P-C4'-P energy: -21.944
tors. eta vs tors. theta energy: -54.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -537.299624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.299624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.299624 (E_RNA)
where:
Base-Base interactions energy: -363.756
where: short stacking energy: -166.528
Base-Backbone interact. energy: -0.004
local terms energy: -173.539612
where:
bonds (distance) C4'-P energy: -34.874
bonds (distance) P-C4' energy: -35.299
flat angles C4'-P-C4' energy: -31.837
flat angles P-C4'-P energy: -23.762
tors. eta vs tors. theta energy: -47.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -482.418525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.418525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.418525 (E_RNA)
where:
Base-Base interactions energy: -322.228
where: short stacking energy: -147.806
Base-Backbone interact. energy: -0.537
local terms energy: -159.652838
where:
bonds (distance) C4'-P energy: -28.657
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -31.605
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -38.276
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: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -481.242809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.242809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.242809 (E_RNA)
where:
Base-Base interactions energy: -323.817
where: short stacking energy: -159.611
Base-Backbone interact. energy: -0.216
local terms energy: -157.209783
where:
bonds (distance) C4'-P energy: -28.538
bonds (distance) P-C4' energy: -31.914
flat angles C4'-P-C4' energy: -33.888
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -40.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -441.147349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.147349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.147349 (E_RNA)
where:
Base-Base interactions energy: -292.520
where: short stacking energy: -140.892
Base-Backbone interact. energy: -1.148
local terms energy: -147.479595
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -28.490
flat angles C4'-P-C4' energy: -34.848
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -35.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -357.135058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.135058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.135058 (E_RNA)
where:
Base-Base interactions energy: -215.587
where: short stacking energy: -113.321
Base-Backbone interact. energy: -0.425
local terms energy: -141.123020
where:
bonds (distance) C4'-P energy: -24.798
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -27.215
tors. eta vs tors. theta energy: -27.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -280.448108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.448108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.448108 (E_RNA)
where:
Base-Base interactions energy: -161.699
where: short stacking energy: -95.855
Base-Backbone interact. energy: -0.847
local terms energy: -117.902278
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -29.696
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -22.648
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -184.120445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.120445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.120445 (E_RNA)
where:
Base-Base interactions energy: -74.264
where: short stacking energy: -70.557
Base-Backbone interact. energy: -0.229
local terms energy: -109.627289
where:
bonds (distance) C4'-P energy: -27.985
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -26.326
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -176.150896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.150896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.150896 (E_RNA)
where:
Base-Base interactions energy: -87.332
where: short stacking energy: -70.733
Base-Backbone interact. energy: -0.494
local terms energy: -88.325563
where:
bonds (distance) C4'-P energy: -27.749
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -166.165469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.165469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.165469 (E_RNA)
where:
Base-Base interactions energy: -67.711
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.149
local terms energy: -98.305622
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -33.763
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -559.730069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.730069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.730069 (E_RNA)
where:
Base-Base interactions energy: -379.460
where: short stacking energy: -192.657
Base-Backbone interact. energy: 0.064
local terms energy: -180.334603
where:
bonds (distance) C4'-P energy: -36.390
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -28.751
tors. eta vs tors. theta energy: -53.550
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: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -548.248525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.248525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.248525 (E_RNA)
where:
Base-Base interactions energy: -382.176
where: short stacking energy: -173.972
Base-Backbone interact. energy: -0.027
local terms energy: -166.044945
where:
bonds (distance) C4'-P energy: -28.247
bonds (distance) P-C4' energy: -35.713
flat angles C4'-P-C4' energy: -34.676
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -43.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -484.243234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.243234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.243234 (E_RNA)
where:
Base-Base interactions energy: -325.205
where: short stacking energy: -164.950
Base-Backbone interact. energy: -0.278
local terms energy: -158.759936
where:
bonds (distance) C4'-P energy: -31.161
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -35.664
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -43.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -463.470208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.470208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.470208 (E_RNA)
where:
Base-Base interactions energy: -322.561
where: short stacking energy: -156.816
Base-Backbone interact. energy: -0.617
local terms energy: -140.292174
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -32.708
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -33.310
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: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -453.424159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.424159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.424159 (E_RNA)
where:
Base-Base interactions energy: -296.310
where: short stacking energy: -149.014
Base-Backbone interact. energy: -1.088
local terms energy: -156.026619
where:
bonds (distance) C4'-P energy: -30.283
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -34.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -375.241613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.241613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.241613 (E_RNA)
where:
Base-Base interactions energy: -227.571
where: short stacking energy: -133.967
Base-Backbone interact. energy: -0.860
local terms energy: -146.810025
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -37.244
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -34.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -275.898754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.898754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.898754 (E_RNA)
where:
Base-Base interactions energy: -158.613
where: short stacking energy: -93.582
Base-Backbone interact. energy: -0.731
local terms energy: -116.554905
where:
bonds (distance) C4'-P energy: -29.228
bonds (distance) P-C4' energy: -28.544
flat angles C4'-P-C4' energy: -28.967
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -175.850239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.850239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.850239 (E_RNA)
where:
Base-Base interactions energy: -67.527
where: short stacking energy: -48.010
Base-Backbone interact. energy: 1.132
local terms energy: -109.455827
where:
bonds (distance) C4'-P energy: -31.162
bonds (distance) P-C4' energy: -32.450
flat angles C4'-P-C4' energy: -30.731
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -1.840
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: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -162.102398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.102398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.102398 (E_RNA)
where:
Base-Base interactions energy: -71.304
where: short stacking energy: -64.738
Base-Backbone interact. energy: -1.035
local terms energy: -89.764205
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -5.976
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: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -172.518011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.518011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.518011 (E_RNA)
where:
Base-Base interactions energy: -75.103
where: short stacking energy: -66.242
Base-Backbone interact. energy: 5.742
local terms energy: -103.156646
where:
bonds (distance) C4'-P energy: -33.310
bonds (distance) P-C4' energy: -27.373
flat angles C4'-P-C4' energy: -27.031
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -552.299819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.299819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.299819 (E_RNA)
where:
Base-Base interactions energy: -367.918
where: short stacking energy: -183.520
Base-Backbone interact. energy: -0.067
local terms energy: -184.314765
where:
bonds (distance) C4'-P energy: -33.178
bonds (distance) P-C4' energy: -37.453
flat angles C4'-P-C4' energy: -35.154
flat angles P-C4'-P energy: -25.117
tors. eta vs tors. theta energy: -53.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -540.206095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.206095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.206095 (E_RNA)
where:
Base-Base interactions energy: -378.745
where: short stacking energy: -168.985
Base-Backbone interact. energy: -0.271
local terms energy: -161.190063
where:
bonds (distance) C4'-P energy: -35.402
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -32.135
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -41.900
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: 3, replica: 9
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -473.472465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.472465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.472465 (E_RNA)
where:
Base-Base interactions energy: -310.559
where: short stacking energy: -141.056
Base-Backbone interact. energy: -1.174
local terms energy: -161.740142
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -36.286
flat angles C4'-P-C4' energy: -36.248
flat angles P-C4'-P energy: -27.749
tors. eta vs tors. theta energy: -35.551
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: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -487.267595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.267595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.267595 (E_RNA)
where:
Base-Base interactions energy: -325.966
where: short stacking energy: -163.656
Base-Backbone interact. energy: -1.506
local terms energy: -159.795939
where:
bonds (distance) C4'-P energy: -28.556
bonds (distance) P-C4' energy: -31.103
flat angles C4'-P-C4' energy: -36.488
flat angles P-C4'-P energy: -21.137
tors. eta vs tors. theta energy: -42.512
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: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -451.848522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.848522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.848522 (E_RNA)
where:
Base-Base interactions energy: -309.006
where: short stacking energy: -143.110
Base-Backbone interact. energy: 1.460
local terms energy: -144.302895
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -35.500
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: -36.766
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: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -371.501959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.501959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.501959 (E_RNA)
where:
Base-Base interactions energy: -241.378
where: short stacking energy: -136.459
Base-Backbone interact. energy: -0.853
local terms energy: -129.271287
where:
bonds (distance) C4'-P energy: -26.187
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -28.674
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -32.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -281.076577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.076577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.076577 (E_RNA)
where:
Base-Base interactions energy: -172.557
where: short stacking energy: -78.019
Base-Backbone interact. energy: -0.294
local terms energy: -108.225758
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -31.632
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -15.578
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: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -168.805400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.805400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.805400 (E_RNA)
where:
Base-Base interactions energy: -66.589
where: short stacking energy: -64.978
Base-Backbone interact. energy: 2.557
local terms energy: -104.773180
where:
bonds (distance) C4'-P energy: -32.066
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -175.753845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.753845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.753845 (E_RNA)
where:
Base-Base interactions energy: -58.461
where: short stacking energy: -58.201
Base-Backbone interact. energy: 0.181
local terms energy: -117.474286
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -27.690
flat angles C4'-P-C4' energy: -29.035
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -8.799
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: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -143.235503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.235503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.235503 (E_RNA)
where:
Base-Base interactions energy: -41.404
where: short stacking energy: -40.021
Base-Backbone interact. energy: 0.944
local terms energy: -102.775674
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: 0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -553.174484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.174484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.174484 (E_RNA)
where:
Base-Base interactions energy: -391.560
where: short stacking energy: -175.786
Base-Backbone interact. energy: -0.651
local terms energy: -160.963708
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -38.569
flat angles P-C4'-P energy: -21.137
tors. eta vs tors. theta energy: -43.105
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: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -537.647775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.647775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.647775 (E_RNA)
where:
Base-Base interactions energy: -362.705
where: short stacking energy: -187.234
Base-Backbone interact. energy: -0.497
local terms energy: -174.445458
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -29.220
flat angles C4'-P-C4' energy: -37.035
flat angles P-C4'-P energy: -28.539
tors. eta vs tors. theta energy: -50.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -488.603736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.603736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.603736 (E_RNA)
where:
Base-Base interactions energy: -322.413
where: short stacking energy: -148.639
Base-Backbone interact. energy: -0.763
local terms energy: -165.428476
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -35.045
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -22.231
tors. eta vs tors. theta energy: -42.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -441.488682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.488682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.488682 (E_RNA)
where:
Base-Base interactions energy: -301.373
where: short stacking energy: -148.611
Base-Backbone interact. energy: -0.296
local terms energy: -139.819631
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -31.054
flat angles P-C4'-P energy: -17.789
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: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -443.904166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.904166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.904166 (E_RNA)
where:
Base-Base interactions energy: -306.687
where: short stacking energy: -142.275
Base-Backbone interact. energy: -0.347
local terms energy: -136.870383
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -32.040
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -33.785
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: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -371.515002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.515002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.515002 (E_RNA)
where:
Base-Base interactions energy: -233.216
where: short stacking energy: -123.168
Base-Backbone interact. energy: -0.154
local terms energy: -138.145048
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -32.026
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -18.541
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: 7, replica: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -274.151630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.151630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.151630 (E_RNA)
where:
Base-Base interactions energy: -153.392
where: short stacking energy: -87.192
Base-Backbone interact. energy: -1.381
local terms energy: -119.379065
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -33.857
flat angles C4'-P-C4' energy: -30.001
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -202.355984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.355984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.355984 (E_RNA)
where:
Base-Base interactions energy: -91.878
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.673
local terms energy: -109.804972
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -31.212
flat angles C4'-P-C4' energy: -30.712
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -5.034
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: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -174.277835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.277835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.277835 (E_RNA)
where:
Base-Base interactions energy: -64.553
where: short stacking energy: -63.109
Base-Backbone interact. energy: 0.242
local terms energy: -109.967438
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -29.994
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -9.355
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: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -148.042590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.042590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.042590 (E_RNA)
where:
Base-Base interactions energy: -56.236
where: short stacking energy: -51.279
Base-Backbone interact. energy: -0.621
local terms energy: -91.184985
where:
bonds (distance) C4'-P energy: -26.314
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -28.557
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -554.535959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.535959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.535959 (E_RNA)
where:
Base-Base interactions energy: -392.860
where: short stacking energy: -169.714
Base-Backbone interact. energy: -0.592
local terms energy: -161.084042
where:
bonds (distance) C4'-P energy: -33.433
bonds (distance) P-C4' energy: -30.693
flat angles C4'-P-C4' energy: -33.590
flat angles P-C4'-P energy: -22.736
tors. eta vs tors. theta energy: -40.633
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: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -547.804259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.804259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.804259 (E_RNA)
where:
Base-Base interactions energy: -371.137
where: short stacking energy: -178.337
Base-Backbone interact. energy: -0.022
local terms energy: -176.645553
where:
bonds (distance) C4'-P energy: -33.800
bonds (distance) P-C4' energy: -32.378
flat angles C4'-P-C4' energy: -34.857
flat angles P-C4'-P energy: -23.161
tors. eta vs tors. theta energy: -52.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -489.454984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.454984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.454984 (E_RNA)
where:
Base-Base interactions energy: -333.012
where: short stacking energy: -161.939
Base-Backbone interact. energy: -1.234
local terms energy: -155.209875
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -33.344
flat angles C4'-P-C4' energy: -32.369
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -42.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -461.034260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.034260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.034260 (E_RNA)
where:
Base-Base interactions energy: -298.362
where: short stacking energy: -160.428
Base-Backbone interact. energy: -2.553
local terms energy: -160.119498
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -28.104
flat angles C4'-P-C4' energy: -37.524
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: -46.394
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: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -458.551437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.551437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.551437 (E_RNA)
where:
Base-Base interactions energy: -298.975
where: short stacking energy: -155.462
Base-Backbone interact. energy: -1.419
local terms energy: -158.157109
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -31.745
flat angles C4'-P-C4' energy: -35.926
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -42.274
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: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -366.095760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.095760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.095760 (E_RNA)
where:
Base-Base interactions energy: -238.805
where: short stacking energy: -121.655
Base-Backbone interact. energy: -0.229
local terms energy: -127.061806
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -33.745
flat angles P-C4'-P energy: -26.990
tors. eta vs tors. theta energy: -21.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -284.737210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.737210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.737210 (E_RNA)
where:
Base-Base interactions energy: -143.193
where: short stacking energy: -90.713
Base-Backbone interact. energy: -0.102
local terms energy: -141.441756
where:
bonds (distance) C4'-P energy: -31.830
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -29.693
flat angles P-C4'-P energy: -22.035
tors. eta vs tors. theta energy: -24.302
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: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -190.544145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.544145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.544145 (E_RNA)
where:
Base-Base interactions energy: -87.906
where: short stacking energy: -77.147
Base-Backbone interact. energy: -0.231
local terms energy: -102.406991
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -29.362
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -163.344228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.344228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.344228 (E_RNA)
where:
Base-Base interactions energy: -71.799
where: short stacking energy: -69.935
Base-Backbone interact. energy: -0.401
local terms energy: -91.144267
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -30.202
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -3.907
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: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -162.815207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.815207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.815207 (E_RNA)
where:
Base-Base interactions energy: -70.009
where: short stacking energy: -56.689
Base-Backbone interact. energy: -1.717
local terms energy: -91.089459
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -29.393
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -22.205
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: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -545.013732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.013732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.013732 (E_RNA)
where:
Base-Base interactions energy: -363.370
where: short stacking energy: -177.200
Base-Backbone interact. energy: -0.291
local terms energy: -181.352617
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -35.270
flat angles C4'-P-C4' energy: -37.649
flat angles P-C4'-P energy: -22.993
tors. eta vs tors. theta energy: -53.604
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: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -537.713787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.713787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.713787 (E_RNA)
where:
Base-Base interactions energy: -363.624
where: short stacking energy: -163.008
Base-Backbone interact. energy: -0.328
local terms energy: -173.761532
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -33.152
flat angles C4'-P-C4' energy: -35.851
flat angles P-C4'-P energy: -30.499
tors. eta vs tors. theta energy: -43.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -480.151095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.151095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.151095 (E_RNA)
where:
Base-Base interactions energy: -329.236
where: short stacking energy: -158.611
Base-Backbone interact. energy: -1.014
local terms energy: -149.901203
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -30.156
flat angles C4'-P-C4' energy: -31.760
flat angles P-C4'-P energy: -29.372
tors. eta vs tors. theta energy: -35.353
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: 4, replica: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -450.724817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.724817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.724817 (E_RNA)
where:
Base-Base interactions energy: -290.065
where: short stacking energy: -134.352
Base-Backbone interact. energy: -0.112
local terms energy: -160.547945
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -37.817
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: -38.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -444.607052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.607052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.607052 (E_RNA)
where:
Base-Base interactions energy: -311.200
where: short stacking energy: -127.885
Base-Backbone interact. energy: 0.863
local terms energy: -134.270907
where:
bonds (distance) C4'-P energy: -22.193
bonds (distance) P-C4' energy: -24.214
flat angles C4'-P-C4' energy: -27.785
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: -36.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -365.638268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.638268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.638268 (E_RNA)
where:
Base-Base interactions energy: -216.520
where: short stacking energy: -121.394
Base-Backbone interact. energy: -0.446
local terms energy: -148.672663
where:
bonds (distance) C4'-P energy: -29.414
bonds (distance) P-C4' energy: -31.859
flat angles C4'-P-C4' energy: -34.324
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -29.738
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: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -319.651163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.651163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.651163 (E_RNA)
where:
Base-Base interactions energy: -190.024
where: short stacking energy: -94.126
Base-Backbone interact. energy: -0.417
local terms energy: -129.209782
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -29.115
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -14.550
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: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -167.816494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.816494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.816494 (E_RNA)
where:
Base-Base interactions energy: -70.894
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.307
local terms energy: -96.615328
where:
bonds (distance) C4'-P energy: -30.394
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -168.929372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.929372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.929372 (E_RNA)
where:
Base-Base interactions energy: -70.357
where: short stacking energy: -56.887
Base-Backbone interact. energy: -0.569
local terms energy: -98.003934
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -27.720
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: -1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -170.201292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.201292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.201292 (E_RNA)
where:
Base-Base interactions energy: -70.923
where: short stacking energy: -64.125
Base-Backbone interact. energy: -1.967
local terms energy: -97.311446
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -31.218
flat angles C4'-P-C4' energy: -23.088
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -12.661
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: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -548.113745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.113745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.113745 (E_RNA)
where:
Base-Base interactions energy: -364.884
where: short stacking energy: -178.843
Base-Backbone interact. energy: -0.015
local terms energy: -183.214500
where:
bonds (distance) C4'-P energy: -33.227
bonds (distance) P-C4' energy: -33.977
flat angles C4'-P-C4' energy: -33.993
flat angles P-C4'-P energy: -27.738
tors. eta vs tors. theta energy: -54.279
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: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -542.035653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.035653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.035653 (E_RNA)
where:
Base-Base interactions energy: -392.127
where: short stacking energy: -163.609
Base-Backbone interact. energy: -0.368
local terms energy: -149.540692
where:
bonds (distance) C4'-P energy: -22.203
bonds (distance) P-C4' energy: -33.822
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -22.995
tors. eta vs tors. theta energy: -41.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -480.527973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.527973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.527973 (E_RNA)
where:
Base-Base interactions energy: -316.123
where: short stacking energy: -154.176
Base-Backbone interact. energy: -0.011
local terms energy: -164.393799
where:
bonds (distance) C4'-P energy: -29.573
bonds (distance) P-C4' energy: -32.019
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -43.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -471.792220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.792220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.792220 (E_RNA)
where:
Base-Base interactions energy: -306.741
where: short stacking energy: -160.625
Base-Backbone interact. energy: -0.078
local terms energy: -164.973061
where:
bonds (distance) C4'-P energy: -30.032
bonds (distance) P-C4' energy: -30.135
flat angles C4'-P-C4' energy: -36.388
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -44.225
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: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -449.220515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.220515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.220515 (E_RNA)
where:
Base-Base interactions energy: -291.779
where: short stacking energy: -140.484
Base-Backbone interact. energy: -2.799
local terms energy: -154.642630
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -33.266
flat angles P-C4'-P energy: -24.485
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: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -349.078426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.078426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.078426 (E_RNA)
where:
Base-Base interactions energy: -211.525
where: short stacking energy: -109.847
Base-Backbone interact. energy: -0.391
local terms energy: -137.162087
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -20.208
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -367.857697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.857697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.857697 (E_RNA)
where:
Base-Base interactions energy: -236.733
where: short stacking energy: -124.959
Base-Backbone interact. energy: -0.693
local terms energy: -130.431989
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -28.441
flat angles C4'-P-C4' energy: -29.949
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: -30.138
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: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -180.737585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.737585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.737585 (E_RNA)
where:
Base-Base interactions energy: -78.194
where: short stacking energy: -69.300
Base-Backbone interact. energy: -0.566
local terms energy: -101.977746
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -34.158
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -21.863
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: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -166.318136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.318136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.318136 (E_RNA)
where:
Base-Base interactions energy: -73.070
where: short stacking energy: -57.892
Base-Backbone interact. energy: -0.088
local terms energy: -93.160050
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -28.034
flat angles P-C4'-P energy: -21.377
tors. eta vs tors. theta energy: 3.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -155.459752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.459752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.459752 (E_RNA)
where:
Base-Base interactions energy: -61.282
where: short stacking energy: -50.958
Base-Backbone interact. energy: 0.312
local terms energy: -94.489771
where:
bonds (distance) C4'-P energy: -29.337
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: 3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -552.445322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.445322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.445322 (E_RNA)
where:
Base-Base interactions energy: -374.138
where: short stacking energy: -165.809
Base-Backbone interact. energy: -0.606
local terms energy: -177.700451
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -37.546
flat angles C4'-P-C4' energy: -34.144
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: -45.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -545.894005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.894005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.894005 (E_RNA)
where:
Base-Base interactions energy: -360.048
where: short stacking energy: -176.028
Base-Backbone interact. energy: -2.585
local terms energy: -183.260940
where:
bonds (distance) C4'-P energy: -35.707
bonds (distance) P-C4' energy: -36.226
flat angles C4'-P-C4' energy: -34.650
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -51.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -489.067180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.067180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.067180 (E_RNA)
where:
Base-Base interactions energy: -326.407
where: short stacking energy: -156.815
Base-Backbone interact. energy: -0.422
local terms energy: -162.238168
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -30.843
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -24.054
tors. eta vs tors. theta energy: -41.583
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: 80
Temperature: 1.050000
Total energy: -476.451867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.451867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.451867 (E_RNA)
where:
Base-Base interactions energy: -316.340
where: short stacking energy: -162.741
Base-Backbone interact. energy: -2.206
local terms energy: -157.905730
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -35.620
flat angles P-C4'-P energy: -23.654
tors. eta vs tors. theta energy: -43.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -456.745396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.745396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.745396 (E_RNA)
where:
Base-Base interactions energy: -307.355
where: short stacking energy: -147.239
Base-Backbone interact. energy: -0.293
local terms energy: -149.097641
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -29.239
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -38.752
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: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -344.024977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.024977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.024977 (E_RNA)
where:
Base-Base interactions energy: -216.211
where: short stacking energy: -115.667
Base-Backbone interact. energy: 1.647
local terms energy: -129.461169
where:
bonds (distance) C4'-P energy: -30.432
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -33.254
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -383.677858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.677858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.677858 (E_RNA)
where:
Base-Base interactions energy: -242.627
where: short stacking energy: -120.728
Base-Backbone interact. energy: -0.431
local terms energy: -140.620217
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -35.893
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -31.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -178.989046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.989046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.989046 (E_RNA)
where:
Base-Base interactions energy: -74.292
where: short stacking energy: -66.280
Base-Backbone interact. energy: 1.096
local terms energy: -105.793236
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -169.341560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.341560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.341560 (E_RNA)
where:
Base-Base interactions energy: -64.361
where: short stacking energy: -57.811
Base-Backbone interact. energy: -0.281
local terms energy: -104.699540
where:
bonds (distance) C4'-P energy: -28.703
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -26.092
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -168.051301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.051301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.051301 (E_RNA)
where:
Base-Base interactions energy: -80.029
where: short stacking energy: -62.412
Base-Backbone interact. energy: -0.616
local terms energy: -87.406404
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -27.372
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -6.785
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: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -557.857033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.857033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.857033 (E_RNA)
where:
Base-Base interactions energy: -379.890
where: short stacking energy: -170.651
Base-Backbone interact. energy: -0.807
local terms energy: -177.159289
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -35.591
flat angles C4'-P-C4' energy: -39.069
flat angles P-C4'-P energy: -26.691
tors. eta vs tors. theta energy: -48.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -533.768616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.768616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.768616 (E_RNA)
where:
Base-Base interactions energy: -362.341
where: short stacking energy: -164.126
Base-Backbone interact. energy: -1.311
local terms energy: -170.116836
where:
bonds (distance) C4'-P energy: -32.284
bonds (distance) P-C4' energy: -30.554
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -26.906
tors. eta vs tors. theta energy: -46.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -468.990913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.990913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.990913 (E_RNA)
where:
Base-Base interactions energy: -313.189
where: short stacking energy: -136.006
Base-Backbone interact. energy: -0.251
local terms energy: -155.551819
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -34.074
flat angles C4'-P-C4' energy: -34.796
flat angles P-C4'-P energy: -23.252
tors. eta vs tors. theta energy: -35.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -470.386759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.386759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.386759 (E_RNA)
where:
Base-Base interactions energy: -318.772
where: short stacking energy: -148.613
Base-Backbone interact. energy: -1.547
local terms energy: -150.068373
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -31.967
flat angles P-C4'-P energy: -23.916
tors. eta vs tors. theta energy: -41.348
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: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -458.534854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.534854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.534854 (E_RNA)
where:
Base-Base interactions energy: -299.414
where: short stacking energy: -155.876
Base-Backbone interact. energy: -0.616
local terms energy: -158.505569
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -46.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -375.027119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.027119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.027119 (E_RNA)
where:
Base-Base interactions energy: -233.354
where: short stacking energy: -116.274
Base-Backbone interact. energy: -1.123
local terms energy: -140.550679
where:
bonds (distance) C4'-P energy: -27.878
bonds (distance) P-C4' energy: -30.696
flat angles C4'-P-C4' energy: -29.644
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -30.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -342.164040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.164040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.164040 (E_RNA)
where:
Base-Base interactions energy: -213.682
where: short stacking energy: -118.488
Base-Backbone interact. energy: -0.497
local terms energy: -127.984767
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -29.589
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -25.399
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: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -176.355812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.355812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.355812 (E_RNA)
where:
Base-Base interactions energy: -60.684
where: short stacking energy: -58.905
Base-Backbone interact. energy: -0.357
local terms energy: -115.314588
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -28.357
flat angles C4'-P-C4' energy: -30.054
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -189.355297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.355297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.355297 (E_RNA)
where:
Base-Base interactions energy: -79.247
where: short stacking energy: -73.740
Base-Backbone interact. energy: -0.051
local terms energy: -110.057393
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -15.972
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: 81
Temperature: 1.350000
Total energy: -160.053719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.053719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.053719 (E_RNA)
where:
Base-Base interactions energy: -63.174
where: short stacking energy: -61.639
Base-Backbone interact. energy: 0.041
local terms energy: -96.920601
where:
bonds (distance) C4'-P energy: -25.722
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -10.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -537.080323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.080323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.080323 (E_RNA)
where:
Base-Base interactions energy: -362.502
where: short stacking energy: -178.647
Base-Backbone interact. energy: -0.981
local terms energy: -173.597591
where:
bonds (distance) C4'-P energy: -28.592
bonds (distance) P-C4' energy: -30.104
flat angles C4'-P-C4' energy: -36.799
flat angles P-C4'-P energy: -29.680
tors. eta vs tors. theta energy: -48.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -538.755903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.755903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.755903 (E_RNA)
where:
Base-Base interactions energy: -369.218
where: short stacking energy: -167.801
Base-Backbone interact. energy: -0.648
local terms energy: -168.890092
where:
bonds (distance) C4'-P energy: -33.256
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -46.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -494.005309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.005309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.005309 (E_RNA)
where:
Base-Base interactions energy: -328.884
where: short stacking energy: -174.857
Base-Backbone interact. energy: -1.725
local terms energy: -163.396359
where:
bonds (distance) C4'-P energy: -29.379
bonds (distance) P-C4' energy: -32.748
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -43.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -464.380558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.380558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.380558 (E_RNA)
where:
Base-Base interactions energy: -306.680
where: short stacking energy: -150.747
Base-Backbone interact. energy: -0.287
local terms energy: -157.412799
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -33.535
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -22.647
tors. eta vs tors. theta energy: -39.158
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: 5, replica: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -447.437582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.437582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.437582 (E_RNA)
where:
Base-Base interactions energy: -299.903
where: short stacking energy: -149.371
Base-Backbone interact. energy: 0.126
local terms energy: -147.660246
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -30.362
flat angles C4'-P-C4' energy: -33.892
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -37.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -385.575179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.575179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.575179 (E_RNA)
where:
Base-Base interactions energy: -254.380
where: short stacking energy: -117.861
Base-Backbone interact. energy: -1.714
local terms energy: -129.481432
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -29.918
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -32.154
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: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -319.347636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.347636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.347636 (E_RNA)
where:
Base-Base interactions energy: -179.554
where: short stacking energy: -91.999
Base-Backbone interact. energy: -0.569
local terms energy: -139.225112
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -29.575
flat angles P-C4'-P energy: -21.575
tors. eta vs tors. theta energy: -26.115
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: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -175.067174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.067174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.067174 (E_RNA)
where:
Base-Base interactions energy: -77.824
where: short stacking energy: -67.539
Base-Backbone interact. energy: 1.207
local terms energy: -98.450087
where:
bonds (distance) C4'-P energy: -25.158
bonds (distance) P-C4' energy: -29.963
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -171.061601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.061601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.061601 (E_RNA)
where:
Base-Base interactions energy: -71.260
where: short stacking energy: -68.278
Base-Backbone interact. energy: -0.028
local terms energy: -99.773659
where:
bonds (distance) C4'-P energy: -33.518
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -5.339
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: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -164.627540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.627540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.627540 (E_RNA)
where:
Base-Base interactions energy: -62.564
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.720
local terms energy: -101.343330
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -34.116
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -2.391
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: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -551.642093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.642093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.642093 (E_RNA)
where:
Base-Base interactions energy: -373.350
where: short stacking energy: -181.113
Base-Backbone interact. energy: -1.005
local terms energy: -177.287067
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -37.543
flat angles P-C4'-P energy: -28.689
tors. eta vs tors. theta energy: -50.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -542.359247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.359247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.359247 (E_RNA)
where:
Base-Base interactions energy: -384.332
where: short stacking energy: -170.322
Base-Backbone interact. energy: -0.380
local terms energy: -157.647548
where:
bonds (distance) C4'-P energy: -29.852
bonds (distance) P-C4' energy: -26.429
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -25.984
tors. eta vs tors. theta energy: -46.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -485.357104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.357104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.357104 (E_RNA)
where:
Base-Base interactions energy: -325.725
where: short stacking energy: -159.472
Base-Backbone interact. energy: -1.075
local terms energy: -158.556972
where:
bonds (distance) C4'-P energy: -30.125
bonds (distance) P-C4' energy: -28.429
flat angles C4'-P-C4' energy: -31.602
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -44.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -463.529271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.529271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.529271 (E_RNA)
where:
Base-Base interactions energy: -313.493
where: short stacking energy: -142.071
Base-Backbone interact. energy: -0.600
local terms energy: -149.436048
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -34.630
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -37.485
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: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -465.868865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.868865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.868865 (E_RNA)
where:
Base-Base interactions energy: -310.778
where: short stacking energy: -166.235
Base-Backbone interact. energy: 0.463
local terms energy: -155.553893
where:
bonds (distance) C4'-P energy: -28.833
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -37.710
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -46.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -352.692140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.692140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.692140 (E_RNA)
where:
Base-Base interactions energy: -218.616
where: short stacking energy: -97.760
Base-Backbone interact. energy: -1.541
local terms energy: -132.535769
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -32.655
flat angles C4'-P-C4' energy: -35.324
flat angles P-C4'-P energy: -23.760
tors. eta vs tors. theta energy: -20.363
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: 83
Temperature: 1.200000
Total energy: -379.971874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.971874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.971874 (E_RNA)
where:
Base-Base interactions energy: -231.793
where: short stacking energy: -113.837
Base-Backbone interact. energy: -0.140
local terms energy: -148.038765
where:
bonds (distance) C4'-P energy: -30.196
bonds (distance) P-C4' energy: -31.426
flat angles C4'-P-C4' energy: -30.716
flat angles P-C4'-P energy: -24.995
tors. eta vs tors. theta energy: -30.706
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: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -178.052378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.052378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.052378 (E_RNA)
where:
Base-Base interactions energy: -75.201
where: short stacking energy: -72.060
Base-Backbone interact. energy: -1.273
local terms energy: -101.577979
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -28.676
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -176.160360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.160360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.160360 (E_RNA)
where:
Base-Base interactions energy: -74.178
where: short stacking energy: -64.169
Base-Backbone interact. energy: -1.096
local terms energy: -100.885673
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -29.447
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -2.287
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: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -165.652867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.652867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.652867 (E_RNA)
where:
Base-Base interactions energy: -77.150
where: short stacking energy: -71.747
Base-Backbone interact. energy: 0.540
local terms energy: -89.042269
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -6.944
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: 84
Temperature: 0.900000
Total energy: -560.370324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.370324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.370324 (E_RNA)
where:
Base-Base interactions energy: -377.914
where: short stacking energy: -166.465
Base-Backbone interact. energy: -0.054
local terms energy: -182.402446
where:
bonds (distance) C4'-P energy: -38.720
bonds (distance) P-C4' energy: -34.309
flat angles C4'-P-C4' energy: -37.791
flat angles P-C4'-P energy: -25.397
tors. eta vs tors. theta energy: -46.185
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: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -534.876736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.876736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.876736 (E_RNA)
where:
Base-Base interactions energy: -362.189
where: short stacking energy: -170.758
Base-Backbone interact. energy: -1.006
local terms energy: -171.681094
where:
bonds (distance) C4'-P energy: -30.984
bonds (distance) P-C4' energy: -33.344
flat angles C4'-P-C4' energy: -32.773
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -50.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -485.504664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.504664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.504664 (E_RNA)
where:
Base-Base interactions energy: -332.552
where: short stacking energy: -154.628
Base-Backbone interact. energy: 1.140
local terms energy: -154.092347
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -28.953
flat angles C4'-P-C4' energy: -29.487
flat angles P-C4'-P energy: -22.421
tors. eta vs tors. theta energy: -41.643
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: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -482.140580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.140580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.140580 (E_RNA)
where:
Base-Base interactions energy: -323.605
where: short stacking energy: -164.669
Base-Backbone interact. energy: -0.382
local terms energy: -158.154094
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -30.473
flat angles C4'-P-C4' energy: -33.859
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -42.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -447.110566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.110566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.110566 (E_RNA)
where:
Base-Base interactions energy: -287.391
where: short stacking energy: -149.516
Base-Backbone interact. energy: -0.099
local terms energy: -159.619809
where:
bonds (distance) C4'-P energy: -30.659
bonds (distance) P-C4' energy: -32.687
flat angles C4'-P-C4' energy: -33.443
flat angles P-C4'-P energy: -24.590
tors. eta vs tors. theta energy: -38.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -395.276064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.276064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.276064 (E_RNA)
where:
Base-Base interactions energy: -264.455
where: short stacking energy: -132.987
Base-Backbone interact. energy: -0.647
local terms energy: -130.174116
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -28.856
flat angles C4'-P-C4' energy: -27.184
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -28.528
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: 84
Temperature: 1.200000
Total energy: -376.431102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.431102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.431102 (E_RNA)
where:
Base-Base interactions energy: -242.984
where: short stacking energy: -113.849
Base-Backbone interact. energy: -0.520
local terms energy: -132.927045
where:
bonds (distance) C4'-P energy: -26.703
bonds (distance) P-C4' energy: -30.509
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -28.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -182.417664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.417664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.417664 (E_RNA)
where:
Base-Base interactions energy: -74.099
where: short stacking energy: -61.117
Base-Backbone interact. energy: 0.264
local terms energy: -108.582773
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -30.674
flat angles C4'-P-C4' energy: -29.494
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -13.360
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: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -183.108662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.108662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.108662 (E_RNA)
where:
Base-Base interactions energy: -89.393
where: short stacking energy: -74.970
Base-Backbone interact. energy: -0.686
local terms energy: -93.030188
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -160.806471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.806471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.806471 (E_RNA)
where:
Base-Base interactions energy: -77.982
where: short stacking energy: -59.320
Base-Backbone interact. energy: 4.683
local terms energy: -87.508158
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -561.837528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.837528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.837528 (E_RNA)
where:
Base-Base interactions energy: -391.335
where: short stacking energy: -172.264
Base-Backbone interact. energy: -0.493
local terms energy: -170.008809
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -38.424
flat angles C4'-P-C4' energy: -33.014
flat angles P-C4'-P energy: -23.179
tors. eta vs tors. theta energy: -44.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -546.134728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.134728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.134728 (E_RNA)
where:
Base-Base interactions energy: -371.400
where: short stacking energy: -171.516
Base-Backbone interact. energy: -0.037
local terms energy: -174.698467
where:
bonds (distance) C4'-P energy: -34.329
bonds (distance) P-C4' energy: -31.483
flat angles C4'-P-C4' energy: -35.491
flat angles P-C4'-P energy: -27.050
tors. eta vs tors. theta energy: -46.346
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: 85
Temperature: 1.000000
Total energy: -471.853997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.853997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.853997 (E_RNA)
where:
Base-Base interactions energy: -325.872
where: short stacking energy: -153.916
Base-Backbone interact. energy: 1.345
local terms energy: -147.327029
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -30.452
flat angles C4'-P-C4' energy: -34.024
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -37.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -472.282707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.282707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.282707 (E_RNA)
where:
Base-Base interactions energy: -308.260
where: short stacking energy: -147.439
Base-Backbone interact. energy: -1.412
local terms energy: -162.610835
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -31.101
flat angles C4'-P-C4' energy: -34.735
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -44.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -466.076442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.076442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.076442 (E_RNA)
where:
Base-Base interactions energy: -299.879
where: short stacking energy: -147.123
Base-Backbone interact. energy: -0.479
local terms energy: -165.718083
where:
bonds (distance) C4'-P energy: -30.491
bonds (distance) P-C4' energy: -29.810
flat angles C4'-P-C4' energy: -37.615
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -46.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -351.490226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.490226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.490226 (E_RNA)
where:
Base-Base interactions energy: -229.529
where: short stacking energy: -127.681
Base-Backbone interact. energy: -1.163
local terms energy: -120.798444
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -30.245
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -28.247
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: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -354.893522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.893522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.893522 (E_RNA)
where:
Base-Base interactions energy: -203.830
where: short stacking energy: -113.441
Base-Backbone interact. energy: 0.452
local terms energy: -151.515148
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -36.049
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -29.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -213.285101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.285101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.285101 (E_RNA)
where:
Base-Base interactions energy: -97.170
where: short stacking energy: -71.146
Base-Backbone interact. energy: -1.610
local terms energy: -114.504653
where:
bonds (distance) C4'-P energy: -33.302
bonds (distance) P-C4' energy: -31.761
flat angles C4'-P-C4' energy: -26.026
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -167.304090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.304090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.304090 (E_RNA)
where:
Base-Base interactions energy: -65.851
where: short stacking energy: -50.607
Base-Backbone interact. energy: -0.618
local terms energy: -100.834764
where:
bonds (distance) C4'-P energy: -30.326
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -5.118
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: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -142.716076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.716076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.716076 (E_RNA)
where:
Base-Base interactions energy: -49.745
where: short stacking energy: -41.193
Base-Backbone interact. energy: -0.350
local terms energy: -92.621101
where:
bonds (distance) C4'-P energy: -27.775
bonds (distance) P-C4' energy: -27.176
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -3.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -559.184089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.184089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.184089 (E_RNA)
where:
Base-Base interactions energy: -386.800
where: short stacking energy: -178.636
Base-Backbone interact. energy: 0.066
local terms energy: -172.449964
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -30.835
flat angles C4'-P-C4' energy: -39.615
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -45.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -538.712700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.712700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.712700 (E_RNA)
where:
Base-Base interactions energy: -359.162
where: short stacking energy: -169.379
Base-Backbone interact. energy: 1.084
local terms energy: -180.634656
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -34.183
flat angles C4'-P-C4' energy: -38.657
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -53.139
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: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -489.978181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.978181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.978181 (E_RNA)
where:
Base-Base interactions energy: -328.549
where: short stacking energy: -160.383
Base-Backbone interact. energy: -1.047
local terms energy: -160.382269
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -46.134
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: 4, replica: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -452.706809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.706809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.706809 (E_RNA)
where:
Base-Base interactions energy: -307.732
where: short stacking energy: -146.762
Base-Backbone interact. energy: -1.197
local terms energy: -143.778328
where:
bonds (distance) C4'-P energy: -26.541
bonds (distance) P-C4' energy: -27.855
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -36.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -451.438848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.438848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.438848 (E_RNA)
where:
Base-Base interactions energy: -309.805
where: short stacking energy: -143.693
Base-Backbone interact. energy: -0.924
local terms energy: -140.710280
where:
bonds (distance) C4'-P energy: -27.837
bonds (distance) P-C4' energy: -30.191
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -35.095
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: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -346.205922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.205922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.205922 (E_RNA)
where:
Base-Base interactions energy: -223.728
where: short stacking energy: -90.422
Base-Backbone interact. energy: -0.827
local terms energy: -121.651428
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -32.624
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -17.136
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: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -385.677336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.677336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.677336 (E_RNA)
where:
Base-Base interactions energy: -253.188
where: short stacking energy: -136.695
Base-Backbone interact. energy: -1.678
local terms energy: -130.810448
where:
bonds (distance) C4'-P energy: -26.029
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -35.037
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: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -171.830948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.830948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.830948 (E_RNA)
where:
Base-Base interactions energy: -67.684
where: short stacking energy: -59.479
Base-Backbone interact. energy: 0.248
local terms energy: -104.394382
where:
bonds (distance) C4'-P energy: -25.891
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -26.612
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -2.943
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: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -163.030553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.030553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.030553 (E_RNA)
where:
Base-Base interactions energy: -61.100
where: short stacking energy: -53.331
Base-Backbone interact. energy: -1.252
local terms energy: -100.678392
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -28.129
flat angles C4'-P-C4' energy: -27.434
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: 3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -157.621834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.621834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.621834 (E_RNA)
where:
Base-Base interactions energy: -73.179
where: short stacking energy: -69.714
Base-Backbone interact. energy: -0.176
local terms energy: -84.266187
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -27.431
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: -7.025
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: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -541.968324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.968324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.968324 (E_RNA)
where:
Base-Base interactions energy: -376.898
where: short stacking energy: -159.603
Base-Backbone interact. energy: -0.783
local terms energy: -164.286527
where:
bonds (distance) C4'-P energy: -26.517
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -38.805
flat angles P-C4'-P energy: -27.569
tors. eta vs tors. theta energy: -41.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -537.400472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.400472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.400472 (E_RNA)
where:
Base-Base interactions energy: -371.133
where: short stacking energy: -159.553
Base-Backbone interact. energy: -0.212
local terms energy: -166.055814
where:
bonds (distance) C4'-P energy: -34.905
bonds (distance) P-C4' energy: -27.143
flat angles C4'-P-C4' energy: -31.274
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: -52.680
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: 87
Temperature: 1.000000
Total energy: -486.985855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.985855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.985855 (E_RNA)
where:
Base-Base interactions energy: -330.365
where: short stacking energy: -155.592
Base-Backbone interact. energy: -0.481
local terms energy: -156.140695
where:
bonds (distance) C4'-P energy: -26.704
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -35.735
flat angles P-C4'-P energy: -16.146
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: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -480.569579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.569579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.569579 (E_RNA)
where:
Base-Base interactions energy: -323.879
where: short stacking energy: -180.942
Base-Backbone interact. energy: -0.302
local terms energy: -156.387833
where:
bonds (distance) C4'-P energy: -27.973
bonds (distance) P-C4' energy: -26.900
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -23.360
tors. eta vs tors. theta energy: -47.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -441.764445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.764445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.764445 (E_RNA)
where:
Base-Base interactions energy: -283.562
where: short stacking energy: -143.055
Base-Backbone interact. energy: -0.760
local terms energy: -157.442715
where:
bonds (distance) C4'-P energy: -28.578
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -36.787
flat angles P-C4'-P energy: -22.757
tors. eta vs tors. theta energy: -40.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -383.965996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.965996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.965996 (E_RNA)
where:
Base-Base interactions energy: -247.290
where: short stacking energy: -130.286
Base-Backbone interact. energy: -0.562
local terms energy: -136.114596
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -34.363
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: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -267.464135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.464135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.464135 (E_RNA)
where:
Base-Base interactions energy: -143.100
where: short stacking energy: -70.986
Base-Backbone interact. energy: 0.281
local terms energy: -124.645452
where:
bonds (distance) C4'-P energy: -26.570
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -27.095
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -23.516
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: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -184.423388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.423388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.423388 (E_RNA)
where:
Base-Base interactions energy: -82.873
where: short stacking energy: -74.724
Base-Backbone interact. energy: -0.354
local terms energy: -101.196263
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -26.873
flat angles C4'-P-C4' energy: -28.182
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -13.922
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: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -181.746794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.746794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.746794 (E_RNA)
where:
Base-Base interactions energy: -83.763
where: short stacking energy: -76.997
Base-Backbone interact. energy: 0.609
local terms energy: -98.592686
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -26.969
flat angles P-C4'-P energy: -19.661
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -157.537652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.537652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.537652 (E_RNA)
where:
Base-Base interactions energy: -70.835
where: short stacking energy: -69.479
Base-Backbone interact. energy: 2.329
local terms energy: -89.031956
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -553.700617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.700617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.700617 (E_RNA)
where:
Base-Base interactions energy: -371.844
where: short stacking energy: -175.160
Base-Backbone interact. energy: -0.429
local terms energy: -181.427542
where:
bonds (distance) C4'-P energy: -31.999
bonds (distance) P-C4' energy: -34.362
flat angles C4'-P-C4' energy: -35.642
flat angles P-C4'-P energy: -27.380
tors. eta vs tors. theta energy: -52.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -553.845550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.845550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.845550 (E_RNA)
where:
Base-Base interactions energy: -373.280
where: short stacking energy: -171.390
Base-Backbone interact. energy: 0.763
local terms energy: -181.327827
where:
bonds (distance) C4'-P energy: -37.972
bonds (distance) P-C4' energy: -32.753
flat angles C4'-P-C4' energy: -36.688
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -46.462
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: 88
Temperature: 1.000000
Total energy: -490.874900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.874900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.874900 (E_RNA)
where:
Base-Base interactions energy: -323.828
where: short stacking energy: -152.239
Base-Backbone interact. energy: -0.931
local terms energy: -166.115344
where:
bonds (distance) C4'-P energy: -28.593
bonds (distance) P-C4' energy: -34.759
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -25.004
tors. eta vs tors. theta energy: -41.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -481.629810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.629810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.629810 (E_RNA)
where:
Base-Base interactions energy: -312.468
where: short stacking energy: -153.962
Base-Backbone interact. energy: -2.217
local terms energy: -166.945045
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -34.540
flat angles P-C4'-P energy: -27.153
tors. eta vs tors. theta energy: -46.762
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: 88
Temperature: 1.100000
Total energy: -450.259762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.259762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.259762 (E_RNA)
where:
Base-Base interactions energy: -307.112
where: short stacking energy: -148.342
Base-Backbone interact. energy: -1.103
local terms energy: -142.044560
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -31.212
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -39.255
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: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -405.034486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.034486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.034486 (E_RNA)
where:
Base-Base interactions energy: -259.169
where: short stacking energy: -138.160
Base-Backbone interact. energy: -0.392
local terms energy: -145.472826
where:
bonds (distance) C4'-P energy: -23.644
bonds (distance) P-C4' energy: -26.770
flat angles C4'-P-C4' energy: -35.266
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -38.962
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: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -298.639714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.639714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.639714 (E_RNA)
where:
Base-Base interactions energy: -169.762
where: short stacking energy: -103.508
Base-Backbone interact. energy: -0.844
local terms energy: -128.034071
where:
bonds (distance) C4'-P energy: -32.864
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -178.758372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.758372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.758372 (E_RNA)
where:
Base-Base interactions energy: -80.570
where: short stacking energy: -54.798
Base-Backbone interact. energy: -1.721
local terms energy: -96.466895
where:
bonds (distance) C4'-P energy: -29.209
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: 4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -162.167280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.167280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.167280 (E_RNA)
where:
Base-Base interactions energy: -64.649
where: short stacking energy: -56.914
Base-Backbone interact. energy: -0.068
local terms energy: -97.449811
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -34.448
flat angles C4'-P-C4' energy: -26.485
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: 3.515
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: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -155.362832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.362832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.362832 (E_RNA)
where:
Base-Base interactions energy: -61.284
where: short stacking energy: -61.383
Base-Backbone interact. energy: -0.677
local terms energy: -93.402339
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -545.174007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.174007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.174007 (E_RNA)
where:
Base-Base interactions energy: -368.956
where: short stacking energy: -179.052
Base-Backbone interact. energy: -0.312
local terms energy: -175.906583
where:
bonds (distance) C4'-P energy: -30.794
bonds (distance) P-C4' energy: -31.007
flat angles C4'-P-C4' energy: -34.245
flat angles P-C4'-P energy: -26.172
tors. eta vs tors. theta energy: -53.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -554.705381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.705381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.705381 (E_RNA)
where:
Base-Base interactions energy: -371.274
where: short stacking energy: -177.578
Base-Backbone interact. energy: -1.227
local terms energy: -182.204365
where:
bonds (distance) C4'-P energy: -34.817
bonds (distance) P-C4' energy: -35.094
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -30.147
tors. eta vs tors. theta energy: -48.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -490.954128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.954128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.954128 (E_RNA)
where:
Base-Base interactions energy: -337.574
where: short stacking energy: -170.683
Base-Backbone interact. energy: -0.482
local terms energy: -152.897787
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -42.716
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: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -455.384526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.384526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.384526 (E_RNA)
where:
Base-Base interactions energy: -297.012
where: short stacking energy: -139.922
Base-Backbone interact. energy: -0.388
local terms energy: -157.984723
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -34.982
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -37.451
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: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -460.266283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.266283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.266283 (E_RNA)
where:
Base-Base interactions energy: -310.202
where: short stacking energy: -142.305
Base-Backbone interact. energy: -0.344
local terms energy: -149.720846
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -29.854
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -19.519
tors. eta vs tors. theta energy: -36.994
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: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -392.424991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.424991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.424991 (E_RNA)
where:
Base-Base interactions energy: -259.623
where: short stacking energy: -143.932
Base-Backbone interact. energy: -0.889
local terms energy: -131.912679
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -20.801
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -35.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -322.379389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.379389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.379389 (E_RNA)
where:
Base-Base interactions energy: -198.227
where: short stacking energy: -105.857
Base-Backbone interact. energy: -1.653
local terms energy: -122.499669
where:
bonds (distance) C4'-P energy: -27.834
bonds (distance) P-C4' energy: -29.370
flat angles C4'-P-C4' energy: -26.709
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -20.591
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: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -192.947855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.947855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.947855 (E_RNA)
where:
Base-Base interactions energy: -97.182
where: short stacking energy: -64.706
Base-Backbone interact. energy: -0.863
local terms energy: -94.902978
where:
bonds (distance) C4'-P energy: -28.512
bonds (distance) P-C4' energy: -32.420
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: 0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -187.297930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.297930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.297930 (E_RNA)
where:
Base-Base interactions energy: -74.655
where: short stacking energy: -74.629
Base-Backbone interact. energy: -0.528
local terms energy: -112.115213
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -34.929
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -14.235
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: 89
Temperature: 1.350000
Total energy: -156.553312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.553312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.553312 (E_RNA)
where:
Base-Base interactions energy: -58.566
where: short stacking energy: -56.420
Base-Backbone interact. energy: -1.016
local terms energy: -96.970864
where:
bonds (distance) C4'-P energy: -28.775
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -23.398
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -1.386
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: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -553.749635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.749635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.749635 (E_RNA)
where:
Base-Base interactions energy: -381.892
where: short stacking energy: -162.995
Base-Backbone interact. energy: -0.144
local terms energy: -171.713337
where:
bonds (distance) C4'-P energy: -34.888
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -32.586
flat angles P-C4'-P energy: -27.339
tors. eta vs tors. theta energy: -43.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -537.296131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.296131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.296131 (E_RNA)
where:
Base-Base interactions energy: -358.328
where: short stacking energy: -166.204
Base-Backbone interact. energy: -0.597
local terms energy: -178.371224
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -32.271
flat angles C4'-P-C4' energy: -34.904
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: -52.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -475.101759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.101759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.101759 (E_RNA)
where:
Base-Base interactions energy: -314.939
where: short stacking energy: -150.396
Base-Backbone interact. energy: -1.295
local terms energy: -158.867827
where:
bonds (distance) C4'-P energy: -30.376
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -34.827
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -38.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -476.655968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.655968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.655968 (E_RNA)
where:
Base-Base interactions energy: -312.844
where: short stacking energy: -146.106
Base-Backbone interact. energy: -0.861
local terms energy: -162.950969
where:
bonds (distance) C4'-P energy: -33.786
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -38.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -446.258742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.258742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.258742 (E_RNA)
where:
Base-Base interactions energy: -299.019
where: short stacking energy: -142.128
Base-Backbone interact. energy: -1.202
local terms energy: -146.037703
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -36.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -392.102017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.102017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.102017 (E_RNA)
where:
Base-Base interactions energy: -251.022
where: short stacking energy: -131.757
Base-Backbone interact. energy: -0.102
local terms energy: -140.978289
where:
bonds (distance) C4'-P energy: -26.748
bonds (distance) P-C4' energy: -28.666
flat angles C4'-P-C4' energy: -31.582
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -30.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -329.257958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.257958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.257958 (E_RNA)
where:
Base-Base interactions energy: -204.202
where: short stacking energy: -105.377
Base-Backbone interact. energy: -0.777
local terms energy: -124.279087
where:
bonds (distance) C4'-P energy: -27.839
bonds (distance) P-C4' energy: -34.004
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -20.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -197.124036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.124036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.124036 (E_RNA)
where:
Base-Base interactions energy: -87.466
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.399
local terms energy: -109.258739
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -22.622
tors. eta vs tors. theta energy: -9.272
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: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -189.193728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.193728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.193728 (E_RNA)
where:
Base-Base interactions energy: -84.945
where: short stacking energy: -70.909
Base-Backbone interact. energy: 0.187
local terms energy: -104.435117
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -27.943
flat angles C4'-P-C4' energy: -30.998
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -173.953730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.953730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.953730 (E_RNA)
where:
Base-Base interactions energy: -66.817
where: short stacking energy: -62.575
Base-Backbone interact. energy: -0.377
local terms energy: -106.759904
where:
bonds (distance) C4'-P energy: -29.378
bonds (distance) P-C4' energy: -32.023
flat angles C4'-P-C4' energy: -30.335
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -2.464
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: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -562.829069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.829069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.829069 (E_RNA)
where:
Base-Base interactions energy: -397.297
where: short stacking energy: -167.723
Base-Backbone interact. energy: -0.208
local terms energy: -165.324054
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -20.821
tors. eta vs tors. theta energy: -49.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -532.760204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.760204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.760204 (E_RNA)
where:
Base-Base interactions energy: -353.972
where: short stacking energy: -172.156
Base-Backbone interact. energy: -0.119
local terms energy: -178.668375
where:
bonds (distance) C4'-P energy: -32.822
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -37.245
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -51.517
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: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -483.324822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.324822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.324822 (E_RNA)
where:
Base-Base interactions energy: -313.268
where: short stacking energy: -166.007
Base-Backbone interact. energy: -0.551
local terms energy: -169.505126
where:
bonds (distance) C4'-P energy: -28.359
bonds (distance) P-C4' energy: -35.808
flat angles C4'-P-C4' energy: -33.749
flat angles P-C4'-P energy: -21.229
tors. eta vs tors. theta energy: -50.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -485.316721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.316721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.316721 (E_RNA)
where:
Base-Base interactions energy: -332.320
where: short stacking energy: -156.616
Base-Backbone interact. energy: -1.569
local terms energy: -151.428451
where:
bonds (distance) C4'-P energy: -30.285
bonds (distance) P-C4' energy: -31.543
flat angles C4'-P-C4' energy: -32.704
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -42.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -467.705776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.705776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.705776 (E_RNA)
where:
Base-Base interactions energy: -317.320
where: short stacking energy: -149.239
Base-Backbone interact. energy: -0.529
local terms energy: -149.857027
where:
bonds (distance) C4'-P energy: -25.713
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -34.496
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: -42.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -377.338545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.338545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.338545 (E_RNA)
where:
Base-Base interactions energy: -243.989
where: short stacking energy: -136.622
Base-Backbone interact. energy: -0.710
local terms energy: -132.639887
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -28.575
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -35.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -352.199682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.199682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.199682 (E_RNA)
where:
Base-Base interactions energy: -219.624
where: short stacking energy: -106.405
Base-Backbone interact. energy: -0.006
local terms energy: -132.569521
where:
bonds (distance) C4'-P energy: -25.441
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -31.603
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -20.710
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: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -188.021673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.021673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.021673 (E_RNA)
where:
Base-Base interactions energy: -94.527
where: short stacking energy: -74.420
Base-Backbone interact. energy: 0.961
local terms energy: -94.454813
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -30.261
flat angles C4'-P-C4' energy: -26.352
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -7.646
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: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -177.842561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.842561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.842561 (E_RNA)
where:
Base-Base interactions energy: -80.852
where: short stacking energy: -76.483
Base-Backbone interact. energy: -1.227
local terms energy: -95.763602
where:
bonds (distance) C4'-P energy: -27.798
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -11.400
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: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -155.914237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.914237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.914237 (E_RNA)
where:
Base-Base interactions energy: -63.657
where: short stacking energy: -55.175
Base-Backbone interact. energy: 0.650
local terms energy: -92.907380
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -19.439
tors. eta vs tors. theta energy: -6.235
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: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -565.498162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.498162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.498162 (E_RNA)
where:
Base-Base interactions energy: -395.566
where: short stacking energy: -180.442
Base-Backbone interact. energy: -1.419
local terms energy: -168.513350
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -27.302
tors. eta vs tors. theta energy: -49.875
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: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -534.820750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.820750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.820750 (E_RNA)
where:
Base-Base interactions energy: -367.525
where: short stacking energy: -176.735
Base-Backbone interact. energy: -0.638
local terms energy: -166.657555
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -30.893
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -52.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -483.333667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.333667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.333667 (E_RNA)
where:
Base-Base interactions energy: -316.179
where: short stacking energy: -165.513
Base-Backbone interact. energy: -1.343
local terms energy: -165.812435
where:
bonds (distance) C4'-P energy: -33.713
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -21.017
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -466.121564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.121564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.121564 (E_RNA)
where:
Base-Base interactions energy: -317.843
where: short stacking energy: -142.328
Base-Backbone interact. energy: -1.384
local terms energy: -146.894586
where:
bonds (distance) C4'-P energy: -27.633
bonds (distance) P-C4' energy: -28.261
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -21.698
tors. eta vs tors. theta energy: -36.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -455.434016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.434016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.434016 (E_RNA)
where:
Base-Base interactions energy: -308.843
where: short stacking energy: -147.734
Base-Backbone interact. energy: 0.178
local terms energy: -146.768814
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -29.186
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -36.506
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: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -355.798407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.798407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.798407 (E_RNA)
where:
Base-Base interactions energy: -217.148
where: short stacking energy: -119.967
Base-Backbone interact. energy: -1.594
local terms energy: -137.056348
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -29.180
flat angles C4'-P-C4' energy: -33.826
flat angles P-C4'-P energy: -28.076
tors. eta vs tors. theta energy: -28.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -329.238119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.238119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.238119 (E_RNA)
where:
Base-Base interactions energy: -215.980
where: short stacking energy: -119.842
Base-Backbone interact. energy: -1.291
local terms energy: -111.967619
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -18.773
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -208.015213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.015213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.015213 (E_RNA)
where:
Base-Base interactions energy: -118.002
where: short stacking energy: -76.510
Base-Backbone interact. energy: -0.203
local terms energy: -89.810296
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -199.645633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.645633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.645633 (E_RNA)
where:
Base-Base interactions energy: -104.957
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.682
local terms energy: -94.005885
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -1.986
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: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -170.727352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.727352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.727352 (E_RNA)
where:
Base-Base interactions energy: -64.408
where: short stacking energy: -63.959
Base-Backbone interact. energy: 0.176
local terms energy: -106.495097
where:
bonds (distance) C4'-P energy: -26.079
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -28.374
flat angles P-C4'-P energy: -14.593
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: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -560.786717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.786717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.786717 (E_RNA)
where:
Base-Base interactions energy: -392.751
where: short stacking energy: -181.666
Base-Backbone interact. energy: -0.012
local terms energy: -168.023682
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -34.811
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: -50.956
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: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -523.570896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.570896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.570896 (E_RNA)
where:
Base-Base interactions energy: -349.630
where: short stacking energy: -164.586
Base-Backbone interact. energy: -0.121
local terms energy: -173.819604
where:
bonds (distance) C4'-P energy: -34.521
bonds (distance) P-C4' energy: -29.486
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -52.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -499.631024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.631024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.631024 (E_RNA)
where:
Base-Base interactions energy: -332.502
where: short stacking energy: -175.289
Base-Backbone interact. energy: -0.367
local terms energy: -166.761475
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -35.072
flat angles C4'-P-C4' energy: -35.029
flat angles P-C4'-P energy: -21.112
tors. eta vs tors. theta energy: -49.159
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: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -455.157829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.157829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.157829 (E_RNA)
where:
Base-Base interactions energy: -311.758
where: short stacking energy: -162.754
Base-Backbone interact. energy: 0.506
local terms energy: -143.905920
where:
bonds (distance) C4'-P energy: -29.366
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -20.954
tors. eta vs tors. theta energy: -39.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -477.366285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.366285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.366285 (E_RNA)
where:
Base-Base interactions energy: -314.726
where: short stacking energy: -156.176
Base-Backbone interact. energy: -0.054
local terms energy: -162.586857
where:
bonds (distance) C4'-P energy: -31.165
bonds (distance) P-C4' energy: -34.925
flat angles C4'-P-C4' energy: -30.927
flat angles P-C4'-P energy: -25.187
tors. eta vs tors. theta energy: -40.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -361.541450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.541450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.541450 (E_RNA)
where:
Base-Base interactions energy: -220.640
where: short stacking energy: -118.564
Base-Backbone interact. energy: -0.437
local terms energy: -140.465154
where:
bonds (distance) C4'-P energy: -29.309
bonds (distance) P-C4' energy: -32.683
flat angles C4'-P-C4' energy: -29.962
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -34.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -347.581421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.581421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.581421 (E_RNA)
where:
Base-Base interactions energy: -213.029
where: short stacking energy: -107.864
Base-Backbone interact. energy: -0.648
local terms energy: -133.903997
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -32.261
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -28.617
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: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -240.043659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.043659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.043659 (E_RNA)
where:
Base-Base interactions energy: -124.870
where: short stacking energy: -83.128
Base-Backbone interact. energy: -1.227
local terms energy: -113.946591
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -19.892
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -159.097953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.097953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.097953 (E_RNA)
where:
Base-Base interactions energy: -55.586
where: short stacking energy: -44.171
Base-Backbone interact. energy: -0.332
local terms energy: -103.180420
where:
bonds (distance) C4'-P energy: -34.652
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -4.672
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: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -154.728808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.728808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.728808 (E_RNA)
where:
Base-Base interactions energy: -72.153
where: short stacking energy: -56.535
Base-Backbone interact. energy: 2.957
local terms energy: -85.532333
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: 3.647
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: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -566.034951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.034951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.034951 (E_RNA)
where:
Base-Base interactions energy: -395.225
where: short stacking energy: -175.461
Base-Backbone interact. energy: -0.289
local terms energy: -170.520843
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -37.285
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -47.662
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: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -512.074076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.074076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.074076 (E_RNA)
where:
Base-Base interactions energy: -344.748
where: short stacking energy: -161.529
Base-Backbone interact. energy: -1.240
local terms energy: -166.086001
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -36.677
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -40.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -471.155870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.155870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.155870 (E_RNA)
where:
Base-Base interactions energy: -319.674
where: short stacking energy: -149.215
Base-Backbone interact. energy: 1.134
local terms energy: -152.615700
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -32.945
flat angles C4'-P-C4' energy: -37.904
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -34.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -462.049738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.049738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.049738 (E_RNA)
where:
Base-Base interactions energy: -316.764
where: short stacking energy: -143.529
Base-Backbone interact. energy: -0.327
local terms energy: -144.959477
where:
bonds (distance) C4'-P energy: -33.386
bonds (distance) P-C4' energy: -33.406
flat angles C4'-P-C4' energy: -30.958
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -31.490
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: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -448.001071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.001071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.001071 (E_RNA)
where:
Base-Base interactions energy: -292.558
where: short stacking energy: -148.052
Base-Backbone interact. energy: -0.210
local terms energy: -155.232110
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -33.998
flat angles C4'-P-C4' energy: -34.518
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -38.491
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: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -369.943023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.943023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.943023 (E_RNA)
where:
Base-Base interactions energy: -233.560
where: short stacking energy: -123.629
Base-Backbone interact. energy: -0.940
local terms energy: -135.442470
where:
bonds (distance) C4'-P energy: -23.855
bonds (distance) P-C4' energy: -28.710
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -34.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -333.865652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.865652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.865652 (E_RNA)
where:
Base-Base interactions energy: -203.196
where: short stacking energy: -96.635
Base-Backbone interact. energy: -0.379
local terms energy: -130.290170
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -32.690
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -20.583
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: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -257.853599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.853599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.853599 (E_RNA)
where:
Base-Base interactions energy: -131.970
where: short stacking energy: -74.293
Base-Backbone interact. energy: 0.757
local terms energy: -126.640254
where:
bonds (distance) C4'-P energy: -30.788
bonds (distance) P-C4' energy: -37.084
flat angles C4'-P-C4' energy: -28.600
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -177.683391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.683391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.683391 (E_RNA)
where:
Base-Base interactions energy: -78.085
where: short stacking energy: -53.503
Base-Backbone interact. energy: 1.573
local terms energy: -101.171684
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -33.521
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -19.080
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -184.570722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.570722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.570722 (E_RNA)
where:
Base-Base interactions energy: -71.521
where: short stacking energy: -63.253
Base-Backbone interact. energy: -0.170
local terms energy: -112.879014
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -30.196
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -22.437
tors. eta vs tors. theta energy: -11.263
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: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -552.850545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.850545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.850545 (E_RNA)
where:
Base-Base interactions energy: -386.109
where: short stacking energy: -173.097
Base-Backbone interact. energy: 0.158
local terms energy: -166.899470
where:
bonds (distance) C4'-P energy: -27.973
bonds (distance) P-C4' energy: -33.314
flat angles C4'-P-C4' energy: -40.184
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -42.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -519.945426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.945426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.945426 (E_RNA)
where:
Base-Base interactions energy: -354.012
where: short stacking energy: -157.693
Base-Backbone interact. energy: -1.230
local terms energy: -164.703511
where:
bonds (distance) C4'-P energy: -26.398
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -34.324
flat angles P-C4'-P energy: -26.830
tors. eta vs tors. theta energy: -42.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -474.432183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.432183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.432183 (E_RNA)
where:
Base-Base interactions energy: -321.024
where: short stacking energy: -156.093
Base-Backbone interact. energy: -0.752
local terms energy: -152.655522
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: -45.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -467.937713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.937713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.937713 (E_RNA)
where:
Base-Base interactions energy: -306.723
where: short stacking energy: -141.650
Base-Backbone interact. energy: -1.837
local terms energy: -159.377001
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -34.870
flat angles C4'-P-C4' energy: -38.166
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -34.731
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: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -429.438641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.438641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.438641 (E_RNA)
where:
Base-Base interactions energy: -289.509
where: short stacking energy: -124.961
Base-Backbone interact. energy: -0.862
local terms energy: -139.067539
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -28.995
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -30.841
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: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -329.258727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.258727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.258727 (E_RNA)
where:
Base-Base interactions energy: -198.068
where: short stacking energy: -99.690
Base-Backbone interact. energy: -0.832
local terms energy: -130.358323
where:
bonds (distance) C4'-P energy: -34.213
bonds (distance) P-C4' energy: -28.549
flat angles C4'-P-C4' energy: -31.929
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -335.528448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.528448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.528448 (E_RNA)
where:
Base-Base interactions energy: -217.676
where: short stacking energy: -106.240
Base-Backbone interact. energy: -0.824
local terms energy: -117.028111
where:
bonds (distance) C4'-P energy: -30.839
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -24.479
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -20.702
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: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -237.161006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.161006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.161006 (E_RNA)
where:
Base-Base interactions energy: -123.666
where: short stacking energy: -87.344
Base-Backbone interact. energy: -0.342
local terms energy: -113.152795
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -22.659
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -12.306
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: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -251.435131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.435131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.435131 (E_RNA)
where:
Base-Base interactions energy: -146.359
where: short stacking energy: -80.598
Base-Backbone interact. energy: -2.082
local terms energy: -102.994074
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -22.770
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -153.449459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.449459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.449459 (E_RNA)
where:
Base-Base interactions energy: -61.553
where: short stacking energy: -55.642
Base-Backbone interact. energy: 0.552
local terms energy: -92.447909
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -534.691453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.691453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.691453 (E_RNA)
where:
Base-Base interactions energy: -351.068
where: short stacking energy: -169.069
Base-Backbone interact. energy: -0.622
local terms energy: -183.001149
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -33.650
flat angles C4'-P-C4' energy: -37.742
flat angles P-C4'-P energy: -31.120
tors. eta vs tors. theta energy: -49.113
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: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -547.143971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.143971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.143971 (E_RNA)
where:
Base-Base interactions energy: -380.511
where: short stacking energy: -176.115
Base-Backbone interact. energy: -0.006
local terms energy: -166.627316
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -33.430
flat angles C4'-P-C4' energy: -33.549
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: -46.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -474.218741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.218741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.218741 (E_RNA)
where:
Base-Base interactions energy: -320.438
where: short stacking energy: -150.889
Base-Backbone interact. energy: -0.491
local terms energy: -153.289931
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -31.989
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -39.967
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: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -488.985234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.985234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.985234 (E_RNA)
where:
Base-Base interactions energy: -319.642
where: short stacking energy: -163.607
Base-Backbone interact. energy: -1.175
local terms energy: -168.168082
where:
bonds (distance) C4'-P energy: -29.419
bonds (distance) P-C4' energy: -33.055
flat angles C4'-P-C4' energy: -32.065
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -49.035
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: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -401.427638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.427638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.427638 (E_RNA)
where:
Base-Base interactions energy: -263.564
where: short stacking energy: -125.563
Base-Backbone interact. energy: -1.117
local terms energy: -136.746623
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -31.154
flat angles C4'-P-C4' energy: -36.206
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -28.021
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: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -363.597866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.597866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.597866 (E_RNA)
where:
Base-Base interactions energy: -224.646
where: short stacking energy: -110.640
Base-Backbone interact. energy: -1.221
local terms energy: -137.731261
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -29.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -406.434593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.434593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.434593 (E_RNA)
where:
Base-Base interactions energy: -281.611
where: short stacking energy: -146.625
Base-Backbone interact. energy: -2.829
local terms energy: -121.994001
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -32.737
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -38.336
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: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -235.010703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.010703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.010703 (E_RNA)
where:
Base-Base interactions energy: -125.464
where: short stacking energy: -79.012
Base-Backbone interact. energy: -0.983
local terms energy: -108.563663
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -28.001
flat angles C4'-P-C4' energy: -31.778
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -249.008369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.008369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.008369 (E_RNA)
where:
Base-Base interactions energy: -123.734
where: short stacking energy: -78.911
Base-Backbone interact. energy: 0.246
local terms energy: -125.521093
where:
bonds (distance) C4'-P energy: -27.860
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -182.188133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.188133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.188133 (E_RNA)
where:
Base-Base interactions energy: -86.218
where: short stacking energy: -76.986
Base-Backbone interact. energy: 0.279
local terms energy: -96.248970
where:
bonds (distance) C4'-P energy: -29.821
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -537.666401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.666401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.666401 (E_RNA)
where:
Base-Base interactions energy: -356.492
where: short stacking energy: -170.525
Base-Backbone interact. energy: -0.549
local terms energy: -180.625149
where:
bonds (distance) C4'-P energy: -31.904
bonds (distance) P-C4' energy: -35.960
flat angles C4'-P-C4' energy: -37.988
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -51.280
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: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -554.145214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.145214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.145214 (E_RNA)
where:
Base-Base interactions energy: -379.184
where: short stacking energy: -172.371
Base-Backbone interact. energy: -0.044
local terms energy: -174.917200
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -35.003
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -52.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -471.449841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.449841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.449841 (E_RNA)
where:
Base-Base interactions energy: -319.805
where: short stacking energy: -144.675
Base-Backbone interact. energy: -0.456
local terms energy: -151.188361
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -33.408
flat angles C4'-P-C4' energy: -34.089
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: -35.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -490.117293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.117293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.117293 (E_RNA)
where:
Base-Base interactions energy: -329.038
where: short stacking energy: -154.497
Base-Backbone interact. energy: -0.097
local terms energy: -160.981802
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -27.635
flat angles C4'-P-C4' energy: -35.499
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -47.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -399.550944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.550944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.550944 (E_RNA)
where:
Base-Base interactions energy: -254.650
where: short stacking energy: -129.665
Base-Backbone interact. energy: -1.142
local terms energy: -143.758705
where:
bonds (distance) C4'-P energy: -32.810
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -33.537
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -30.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -351.466233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.466233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.466233 (E_RNA)
where:
Base-Base interactions energy: -229.604
where: short stacking energy: -116.190
Base-Backbone interact. energy: -1.390
local terms energy: -120.471422
where:
bonds (distance) C4'-P energy: -22.285
bonds (distance) P-C4' energy: -29.613
flat angles C4'-P-C4' energy: -30.684
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -330.191960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.191960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.191960 (E_RNA)
where:
Base-Base interactions energy: -217.298
where: short stacking energy: -98.390
Base-Backbone interact. energy: -0.358
local terms energy: -112.535210
where:
bonds (distance) C4'-P energy: -33.798
bonds (distance) P-C4' energy: -26.134
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -19.713
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: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -236.718554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.718554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.718554 (E_RNA)
where:
Base-Base interactions energy: -126.968
where: short stacking energy: -91.507
Base-Backbone interact. energy: -0.180
local terms energy: -109.571121
where:
bonds (distance) C4'-P energy: -31.350
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -17.545
tors. eta vs tors. theta energy: -13.933
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: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -245.127141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.127141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.127141 (E_RNA)
where:
Base-Base interactions energy: -139.679
where: short stacking energy: -75.864
Base-Backbone interact. energy: -0.267
local terms energy: -105.181153
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -27.948
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -17.027
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: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -181.299809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.299809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.299809 (E_RNA)
where:
Base-Base interactions energy: -66.734
where: short stacking energy: -66.734
Base-Backbone interact. energy: 0.030
local terms energy: -114.595411
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -13.684
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: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -569.903970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.903970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.903970 (E_RNA)
where:
Base-Base interactions energy: -385.742
where: short stacking energy: -176.453
Base-Backbone interact. energy: -0.067
local terms energy: -184.094779
where:
bonds (distance) C4'-P energy: -36.546
bonds (distance) P-C4' energy: -32.699
flat angles C4'-P-C4' energy: -35.878
flat angles P-C4'-P energy: -28.855
tors. eta vs tors. theta energy: -50.116
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: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -525.048833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.048833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.048833 (E_RNA)
where:
Base-Base interactions energy: -349.027
where: short stacking energy: -177.705
Base-Backbone interact. energy: 0.598
local terms energy: -176.618943
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -35.490
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -25.742
tors. eta vs tors. theta energy: -53.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -483.230229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.230229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.230229 (E_RNA)
where:
Base-Base interactions energy: -314.145
where: short stacking energy: -154.058
Base-Backbone interact. energy: -0.718
local terms energy: -168.367377
where:
bonds (distance) C4'-P energy: -30.091
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -26.776
tors. eta vs tors. theta energy: -45.827
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: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -472.350521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.350521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.350521 (E_RNA)
where:
Base-Base interactions energy: -309.050
where: short stacking energy: -155.848
Base-Backbone interact. energy: -0.477
local terms energy: -162.824136
where:
bonds (distance) C4'-P energy: -33.278
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -32.180
flat angles P-C4'-P energy: -26.329
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: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -399.940360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.940360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.940360 (E_RNA)
where:
Base-Base interactions energy: -266.691
where: short stacking energy: -115.608
Base-Backbone interact. energy: -0.589
local terms energy: -132.660163
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -28.758
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: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -285.498416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.498416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.498416 (E_RNA)
where:
Base-Base interactions energy: -159.735
where: short stacking energy: -97.865
Base-Backbone interact. energy: 0.723
local terms energy: -126.486063
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -30.367
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -331.036245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.036245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.036245 (E_RNA)
where:
Base-Base interactions energy: -200.573
where: short stacking energy: -111.283
Base-Backbone interact. energy: -0.686
local terms energy: -129.777102
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -34.660
flat angles C4'-P-C4' energy: -26.710
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -21.460
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: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -220.280723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.280723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.280723 (E_RNA)
where:
Base-Base interactions energy: -106.658
where: short stacking energy: -63.651
Base-Backbone interact. energy: 0.649
local terms energy: -114.272407
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -9.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -243.771370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.771370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.771370 (E_RNA)
where:
Base-Base interactions energy: -127.170
where: short stacking energy: -69.125
Base-Backbone interact. energy: -0.954
local terms energy: -115.648022
where:
bonds (distance) C4'-P energy: -31.123
bonds (distance) P-C4' energy: -29.792
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -7.314
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: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -159.638607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.638607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.638607 (E_RNA)
where:
Base-Base interactions energy: -59.378
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.418
local terms energy: -99.841882
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -31.167
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -19.982
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: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -565.203825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.203825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.203825 (E_RNA)
where:
Base-Base interactions energy: -392.996
where: short stacking energy: -179.756
Base-Backbone interact. energy: -0.076
local terms energy: -172.132426
where:
bonds (distance) C4'-P energy: -33.932
bonds (distance) P-C4' energy: -27.472
flat angles C4'-P-C4' energy: -35.523
flat angles P-C4'-P energy: -27.721
tors. eta vs tors. theta energy: -47.485
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: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -535.845918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.845918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.845918 (E_RNA)
where:
Base-Base interactions energy: -363.502
where: short stacking energy: -173.585
Base-Backbone interact. energy: -1.836
local terms energy: -170.507866
where:
bonds (distance) C4'-P energy: -36.349
bonds (distance) P-C4' energy: -28.574
flat angles C4'-P-C4' energy: -33.399
flat angles P-C4'-P energy: -23.930
tors. eta vs tors. theta energy: -48.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -492.083010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.083010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.083010 (E_RNA)
where:
Base-Base interactions energy: -327.903
where: short stacking energy: -155.982
Base-Backbone interact. energy: -2.769
local terms energy: -161.411245
where:
bonds (distance) C4'-P energy: -24.435
bonds (distance) P-C4' energy: -36.332
flat angles C4'-P-C4' energy: -34.878
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -46.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -472.846648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.846648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.846648 (E_RNA)
where:
Base-Base interactions energy: -314.625
where: short stacking energy: -147.066
Base-Backbone interact. energy: -0.899
local terms energy: -157.322641
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -33.586
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -43.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -438.060750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.060750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.060750 (E_RNA)
where:
Base-Base interactions energy: -286.004
where: short stacking energy: -130.281
Base-Backbone interact. energy: -1.004
local terms energy: -151.053076
where:
bonds (distance) C4'-P energy: -28.185
bonds (distance) P-C4' energy: -32.170
flat angles C4'-P-C4' energy: -39.561
flat angles P-C4'-P energy: -21.626
tors. eta vs tors. theta energy: -29.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -351.354805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.354805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.354805 (E_RNA)
where:
Base-Base interactions energy: -223.307
where: short stacking energy: -134.137
Base-Backbone interact. energy: -0.809
local terms energy: -127.238941
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -25.869
flat angles C4'-P-C4' energy: -33.544
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -314.093052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.093052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.093052 (E_RNA)
where:
Base-Base interactions energy: -177.863
where: short stacking energy: -107.591
Base-Backbone interact. energy: -0.494
local terms energy: -135.735234
where:
bonds (distance) C4'-P energy: -28.123
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -251.844279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.844279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.844279 (E_RNA)
where:
Base-Base interactions energy: -125.736
where: short stacking energy: -80.084
Base-Backbone interact. energy: -0.989
local terms energy: -125.119785
where:
bonds (distance) C4'-P energy: -26.674
bonds (distance) P-C4' energy: -32.485
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -16.369
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: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -218.621348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.621348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.621348 (E_RNA)
where:
Base-Base interactions energy: -124.669
where: short stacking energy: -66.305
Base-Backbone interact. energy: -0.917
local terms energy: -93.035693
where:
bonds (distance) C4'-P energy: -27.522
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -2.723
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: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -164.146751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.146751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.146751 (E_RNA)
where:
Base-Base interactions energy: -77.241
where: short stacking energy: -66.563
Base-Backbone interact. energy: -0.148
local terms energy: -86.757038
where:
bonds (distance) C4'-P energy: -22.241
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -567.040324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.040324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.040324 (E_RNA)
where:
Base-Base interactions energy: -393.823
where: short stacking energy: -170.143
Base-Backbone interact. energy: -0.184
local terms energy: -173.033909
where:
bonds (distance) C4'-P energy: -25.561
bonds (distance) P-C4' energy: -36.525
flat angles C4'-P-C4' energy: -36.076
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: -49.480
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: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -529.734461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.734461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.734461 (E_RNA)
where:
Base-Base interactions energy: -349.048
where: short stacking energy: -172.253
Base-Backbone interact. energy: -0.762
local terms energy: -179.924411
where:
bonds (distance) C4'-P energy: -31.275
bonds (distance) P-C4' energy: -34.649
flat angles C4'-P-C4' energy: -35.877
flat angles P-C4'-P energy: -31.319
tors. eta vs tors. theta energy: -46.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -464.348289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.348289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.348289 (E_RNA)
where:
Base-Base interactions energy: -316.566
where: short stacking energy: -143.916
Base-Backbone interact. energy: -0.252
local terms energy: -147.530664
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -28.822
flat angles C4'-P-C4' energy: -39.184
flat angles P-C4'-P energy: -23.132
tors. eta vs tors. theta energy: -35.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -472.333523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.333523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.333523 (E_RNA)
where:
Base-Base interactions energy: -314.266
where: short stacking energy: -158.479
Base-Backbone interact. energy: -1.119
local terms energy: -156.948075
where:
bonds (distance) C4'-P energy: -34.689
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -43.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -432.953259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.953259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.953259 (E_RNA)
where:
Base-Base interactions energy: -299.265
where: short stacking energy: -147.370
Base-Backbone interact. energy: -1.447
local terms energy: -132.240438
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -26.961
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -34.286
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: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -340.705144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.705144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.705144 (E_RNA)
where:
Base-Base interactions energy: -208.011
where: short stacking energy: -116.255
Base-Backbone interact. energy: -1.063
local terms energy: -131.632080
where:
bonds (distance) C4'-P energy: -29.754
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -29.680
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -26.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -327.600380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.600380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.600380 (E_RNA)
where:
Base-Base interactions energy: -196.139
where: short stacking energy: -115.861
Base-Backbone interact. energy: -0.828
local terms energy: -130.633937
where:
bonds (distance) C4'-P energy: -30.547
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -23.613
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -26.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -255.278953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.278953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.278953 (E_RNA)
where:
Base-Base interactions energy: -147.899
where: short stacking energy: -89.575
Base-Backbone interact. energy: -0.707
local terms energy: -106.672946
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -13.552
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: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -232.632758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.632758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.632758 (E_RNA)
where:
Base-Base interactions energy: -120.662
where: short stacking energy: -85.284
Base-Backbone interact. energy: -0.227
local terms energy: -111.743369
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -31.983
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -163.092377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.092377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.092377 (E_RNA)
where:
Base-Base interactions energy: -66.612
where: short stacking energy: -43.257
Base-Backbone interact. energy: 0.071
local terms energy: -96.551518
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -32.821
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: 0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -556.781840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.781840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.781840 (E_RNA)
where:
Base-Base interactions energy: -380.473
where: short stacking energy: -168.900
Base-Backbone interact. energy: -0.025
local terms energy: -176.283821
where:
bonds (distance) C4'-P energy: -31.672
bonds (distance) P-C4' energy: -28.886
flat angles C4'-P-C4' energy: -37.749
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -49.710
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: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -540.769552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.769552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.769552 (E_RNA)
where:
Base-Base interactions energy: -357.019
where: short stacking energy: -181.057
Base-Backbone interact. energy: 1.939
local terms energy: -185.689646
where:
bonds (distance) C4'-P energy: -37.658
bonds (distance) P-C4' energy: -30.476
flat angles C4'-P-C4' energy: -38.390
flat angles P-C4'-P energy: -26.430
tors. eta vs tors. theta energy: -52.736
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: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -519.014309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.014309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.014309 (E_RNA)
where:
Base-Base interactions energy: -352.556
where: short stacking energy: -166.059
Base-Backbone interact. energy: -0.120
local terms energy: -166.338361
where:
bonds (distance) C4'-P energy: -33.629
bonds (distance) P-C4' energy: -34.146
flat angles C4'-P-C4' energy: -33.500
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -42.260
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: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -448.936462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.936462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.936462 (E_RNA)
where:
Base-Base interactions energy: -293.240
where: short stacking energy: -147.538
Base-Backbone interact. energy: -1.124
local terms energy: -154.572730
where:
bonds (distance) C4'-P energy: -32.354
bonds (distance) P-C4' energy: -36.385
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -31.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -464.271520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.271520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.271520 (E_RNA)
where:
Base-Base interactions energy: -308.709
where: short stacking energy: -149.508
Base-Backbone interact. energy: -0.290
local terms energy: -155.272856
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -29.412
flat angles C4'-P-C4' energy: -32.716
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -46.697
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: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -404.206144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.206144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.206144 (E_RNA)
where:
Base-Base interactions energy: -261.351
where: short stacking energy: -149.199
Base-Backbone interact. energy: -0.027
local terms energy: -142.828390
where:
bonds (distance) C4'-P energy: -33.691
bonds (distance) P-C4' energy: -33.829
flat angles C4'-P-C4' energy: -26.033
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -32.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -324.431607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.431607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.431607 (E_RNA)
where:
Base-Base interactions energy: -199.521
where: short stacking energy: -82.322
Base-Backbone interact. energy: -0.270
local terms energy: -124.640745
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -31.614
flat angles C4'-P-C4' energy: -35.829
flat angles P-C4'-P energy: -25.256
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -269.166710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.166710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.166710 (E_RNA)
where:
Base-Base interactions energy: -156.477
where: short stacking energy: -86.317
Base-Backbone interact. energy: -0.442
local terms energy: -112.247653
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -28.886
flat angles P-C4'-P energy: -22.480
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -173.521282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.521282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.521282 (E_RNA)
where:
Base-Base interactions energy: -77.330
where: short stacking energy: -52.993
Base-Backbone interact. energy: -0.871
local terms energy: -95.320549
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -153.079660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.079660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.079660 (E_RNA)
where:
Base-Base interactions energy: -52.769
where: short stacking energy: -51.723
Base-Backbone interact. energy: -0.289
local terms energy: -100.021558
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -30.158
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -556.549963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.549963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.549963 (E_RNA)
where:
Base-Base interactions energy: -386.544
where: short stacking energy: -174.465
Base-Backbone interact. energy: -0.018
local terms energy: -169.987762
where:
bonds (distance) C4'-P energy: -32.256
bonds (distance) P-C4' energy: -31.205
flat angles C4'-P-C4' energy: -36.274
flat angles P-C4'-P energy: -26.613
tors. eta vs tors. theta energy: -43.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -534.898302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.898302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.898302 (E_RNA)
where:
Base-Base interactions energy: -360.484
where: short stacking energy: -180.250
Base-Backbone interact. energy: -0.316
local terms energy: -174.099075
where:
bonds (distance) C4'-P energy: -32.213
bonds (distance) P-C4' energy: -28.769
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -52.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -499.676272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.676272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.676272 (E_RNA)
where:
Base-Base interactions energy: -333.845
where: short stacking energy: -148.688
Base-Backbone interact. energy: -1.100
local terms energy: -164.731332
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -39.604
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -43.893
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: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -435.662734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.662734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.662734 (E_RNA)
where:
Base-Base interactions energy: -301.807
where: short stacking energy: -146.956
Base-Backbone interact. energy: -2.352
local terms energy: -131.503937
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -32.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -460.724337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.724337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.724337 (E_RNA)
where:
Base-Base interactions energy: -304.523
where: short stacking energy: -157.650
Base-Backbone interact. energy: -0.872
local terms energy: -155.328810
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -32.868
flat angles C4'-P-C4' energy: -33.502
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: -43.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -421.540807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.540807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.540807 (E_RNA)
where:
Base-Base interactions energy: -264.232
where: short stacking energy: -158.951
Base-Backbone interact. energy: -0.183
local terms energy: -157.126226
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -33.172
flat angles P-C4'-P energy: -22.727
tors. eta vs tors. theta energy: -45.036
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: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -344.142974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.142974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.142974 (E_RNA)
where:
Base-Base interactions energy: -229.103
where: short stacking energy: -108.537
Base-Backbone interact. energy: 5.679
local terms energy: -120.718972
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -31.326
flat angles C4'-P-C4' energy: -29.287
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -26.137
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: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -314.937177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.937177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.937177 (E_RNA)
where:
Base-Base interactions energy: -196.287
where: short stacking energy: -104.316
Base-Backbone interact. energy: -1.140
local terms energy: -117.510367
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -30.924
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -164.032479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.032479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.032479 (E_RNA)
where:
Base-Base interactions energy: -65.452
where: short stacking energy: -65.459
Base-Backbone interact. energy: -0.766
local terms energy: -97.815154
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -25.342
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: 1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -159.813420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.813420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.813420 (E_RNA)
where:
Base-Base interactions energy: -71.256
where: short stacking energy: -54.868
Base-Backbone interact. energy: -0.209
local terms energy: -88.348298
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -27.276
flat angles C4'-P-C4' energy: -27.832
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -7.045
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: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -557.665889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.665889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.665889 (E_RNA)
where:
Base-Base interactions energy: -387.285
where: short stacking energy: -178.311
Base-Backbone interact. energy: -0.658
local terms energy: -169.723134
where:
bonds (distance) C4'-P energy: -32.033
bonds (distance) P-C4' energy: -28.149
flat angles C4'-P-C4' energy: -35.732
flat angles P-C4'-P energy: -30.600
tors. eta vs tors. theta energy: -43.209
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: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -512.222116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.222116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.222116 (E_RNA)
where:
Base-Base interactions energy: -333.833
where: short stacking energy: -152.442
Base-Backbone interact. energy: -0.200
local terms energy: -178.189068
where:
bonds (distance) C4'-P energy: -35.161
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -35.050
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -47.230
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: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -542.559025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.559025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.559025 (E_RNA)
where:
Base-Base interactions energy: -359.205
where: short stacking energy: -182.764
Base-Backbone interact. energy: -0.418
local terms energy: -182.935795
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -31.089
flat angles C4'-P-C4' energy: -40.589
flat angles P-C4'-P energy: -30.837
tors. eta vs tors. theta energy: -52.072
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: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -484.092197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.092197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.092197 (E_RNA)
where:
Base-Base interactions energy: -319.766
where: short stacking energy: -159.690
Base-Backbone interact. energy: -0.460
local terms energy: -163.866873
where:
bonds (distance) C4'-P energy: -32.437
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -30.195
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -45.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -433.212801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.212801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.212801 (E_RNA)
where:
Base-Base interactions energy: -287.047
where: short stacking energy: -132.541
Base-Backbone interact. energy: -1.912
local terms energy: -144.254092
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -34.724
flat angles C4'-P-C4' energy: -27.351
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -29.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -399.390060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.390060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.390060 (E_RNA)
where:
Base-Base interactions energy: -263.036
where: short stacking energy: -135.538
Base-Backbone interact. energy: -0.371
local terms energy: -135.983318
where:
bonds (distance) C4'-P energy: -26.360
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -21.338
tors. eta vs tors. theta energy: -30.869
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: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -364.028530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.028530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.028530 (E_RNA)
where:
Base-Base interactions energy: -226.101
where: short stacking energy: -112.675
Base-Backbone interact. energy: -0.990
local terms energy: -136.937677
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -32.999
flat angles P-C4'-P energy: -25.185
tors. eta vs tors. theta energy: -24.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -317.277399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.277399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.277399 (E_RNA)
where:
Base-Base interactions energy: -193.365
where: short stacking energy: -104.984
Base-Backbone interact. energy: 0.167
local terms energy: -124.079286
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -33.718
flat angles C4'-P-C4' energy: -28.535
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -18.541
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: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -182.800023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.800023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.800023 (E_RNA)
where:
Base-Base interactions energy: -84.069
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.370
local terms energy: -98.360609
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -23.628
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -18.663
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: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -183.815506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.815506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.815506 (E_RNA)
where:
Base-Base interactions energy: -68.830
where: short stacking energy: -58.753
Base-Backbone interact. energy: 0.088
local terms energy: -115.074322
where:
bonds (distance) C4'-P energy: -27.593
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -31.346
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -514.282345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.282345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.282345 (E_RNA)
where:
Base-Base interactions energy: -338.582
where: short stacking energy: -179.166
Base-Backbone interact. energy: 0.669
local terms energy: -176.369522
where:
bonds (distance) C4'-P energy: -33.653
bonds (distance) P-C4' energy: -37.870
flat angles C4'-P-C4' energy: -35.424
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -46.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -551.328304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.328304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.328304 (E_RNA)
where:
Base-Base interactions energy: -375.459
where: short stacking energy: -168.079
Base-Backbone interact. energy: -1.116
local terms energy: -174.753811
where:
bonds (distance) C4'-P energy: -31.142
bonds (distance) P-C4' energy: -35.252
flat angles C4'-P-C4' energy: -38.155
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -46.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -476.409551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.409551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.409551 (E_RNA)
where:
Base-Base interactions energy: -310.478
where: short stacking energy: -150.977
Base-Backbone interact. energy: -1.056
local terms energy: -164.875475
where:
bonds (distance) C4'-P energy: -30.082
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -28.686
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -45.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -527.740056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.740056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.740056 (E_RNA)
where:
Base-Base interactions energy: -356.377
where: short stacking energy: -168.148
Base-Backbone interact. energy: -1.233
local terms energy: -170.129800
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -34.408
flat angles P-C4'-P energy: -26.786
tors. eta vs tors. theta energy: -49.097
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: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -433.896353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.896353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.896353 (E_RNA)
where:
Base-Base interactions energy: -293.033
where: short stacking energy: -127.268
Base-Backbone interact. energy: -0.718
local terms energy: -140.145293
where:
bonds (distance) C4'-P energy: -28.463
bonds (distance) P-C4' energy: -26.488
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -19.694
tors. eta vs tors. theta energy: -32.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -387.499963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.499963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.499963 (E_RNA)
where:
Base-Base interactions energy: -256.496
where: short stacking energy: -124.207
Base-Backbone interact. energy: -0.156
local terms energy: -130.847386
where:
bonds (distance) C4'-P energy: -26.302
bonds (distance) P-C4' energy: -26.244
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -29.412
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: 104
Temperature: 1.200000
Total energy: -349.952186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.952186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.952186 (E_RNA)
where:
Base-Base interactions energy: -226.308
where: short stacking energy: -117.152
Base-Backbone interact. energy: -0.201
local terms energy: -123.443094
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -26.007
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -274.777460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.777460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.777460 (E_RNA)
where:
Base-Base interactions energy: -161.655
where: short stacking energy: -76.568
Base-Backbone interact. energy: -1.299
local terms energy: -111.822724
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -32.790
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -178.989304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.989304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.989304 (E_RNA)
where:
Base-Base interactions energy: -90.624
where: short stacking energy: -52.929
Base-Backbone interact. energy: 1.099
local terms energy: -89.464724
where:
bonds (distance) C4'-P energy: -29.333
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: 0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -165.003150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.003150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.003150 (E_RNA)
where:
Base-Base interactions energy: -81.351
where: short stacking energy: -45.238
Base-Backbone interact. energy: -2.031
local terms energy: -81.620849
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -516.389446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.389446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.389446 (E_RNA)
where:
Base-Base interactions energy: -347.287
where: short stacking energy: -164.761
Base-Backbone interact. energy: -0.631
local terms energy: -168.471831
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -33.867
flat angles C4'-P-C4' energy: -39.452
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -46.221
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: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -555.370805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.370805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.370805 (E_RNA)
where:
Base-Base interactions energy: -390.092
where: short stacking energy: -168.851
Base-Backbone interact. energy: -0.322
local terms energy: -164.956775
where:
bonds (distance) C4'-P energy: -31.065
bonds (distance) P-C4' energy: -32.192
flat angles C4'-P-C4' energy: -35.734
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -48.745
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: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -472.623030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.623030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.623030 (E_RNA)
where:
Base-Base interactions energy: -309.110
where: short stacking energy: -158.947
Base-Backbone interact. energy: -0.883
local terms energy: -162.629963
where:
bonds (distance) C4'-P energy: -33.645
bonds (distance) P-C4' energy: -29.640
flat angles C4'-P-C4' energy: -37.231
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -41.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -519.704376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.704376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.704376 (E_RNA)
where:
Base-Base interactions energy: -348.618
where: short stacking energy: -174.004
Base-Backbone interact. energy: -0.029
local terms energy: -171.058289
where:
bonds (distance) C4'-P energy: -29.066
bonds (distance) P-C4' energy: -34.535
flat angles C4'-P-C4' energy: -35.788
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -48.673
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: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -434.849013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.849013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.849013 (E_RNA)
where:
Base-Base interactions energy: -293.446
where: short stacking energy: -143.777
Base-Backbone interact. energy: -0.189
local terms energy: -141.214327
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -32.591
flat angles C4'-P-C4' energy: -26.436
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -32.724
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: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -396.543669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.543669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.543669 (E_RNA)
where:
Base-Base interactions energy: -252.374
where: short stacking energy: -128.706
Base-Backbone interact. energy: -0.117
local terms energy: -144.053296
where:
bonds (distance) C4'-P energy: -31.227
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -29.882
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: -35.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -335.013686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.013686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.013686 (E_RNA)
where:
Base-Base interactions energy: -207.481
where: short stacking energy: -108.833
Base-Backbone interact. energy: -0.907
local terms energy: -126.626256
where:
bonds (distance) C4'-P energy: -27.849
bonds (distance) P-C4' energy: -32.929
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -24.737
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: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -285.611585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.611585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.611585 (E_RNA)
where:
Base-Base interactions energy: -167.143
where: short stacking energy: -83.941
Base-Backbone interact. energy: -1.206
local terms energy: -117.262386
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -193.071344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.071344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.071344 (E_RNA)
where:
Base-Base interactions energy: -110.737
where: short stacking energy: -67.211
Base-Backbone interact. energy: -0.487
local terms energy: -81.847369
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: 0.322
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: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -159.952986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.952986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.952986 (E_RNA)
where:
Base-Base interactions energy: -68.663
where: short stacking energy: -54.132
Base-Backbone interact. energy: -0.508
local terms energy: -90.781630
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -29.107
flat angles C4'-P-C4' energy: -32.781
flat angles P-C4'-P energy: -2.142
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -555.217599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.217599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.217599 (E_RNA)
where:
Base-Base interactions energy: -392.116
where: short stacking energy: -182.340
Base-Backbone interact. energy: -0.020
local terms energy: -163.082287
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -26.718
flat angles C4'-P-C4' energy: -36.124
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -48.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -504.377113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.377113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.377113 (E_RNA)
where:
Base-Base interactions energy: -336.521
where: short stacking energy: -169.309
Base-Backbone interact. energy: -0.455
local terms energy: -167.400825
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -32.397
flat angles P-C4'-P energy: -26.180
tors. eta vs tors. theta energy: -44.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -527.727742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.727742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.727742 (E_RNA)
where:
Base-Base interactions energy: -363.756
where: short stacking energy: -169.034
Base-Backbone interact. energy: -0.133
local terms energy: -163.839598
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -34.728
flat angles C4'-P-C4' energy: -32.982
flat angles P-C4'-P energy: -21.968
tors. eta vs tors. theta energy: -49.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -470.319116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.319116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.319116 (E_RNA)
where:
Base-Base interactions energy: -302.215
where: short stacking energy: -154.187
Base-Backbone interact. energy: -0.259
local terms energy: -167.844371
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -30.754
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -47.895
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: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -432.470372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.470372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.470372 (E_RNA)
where:
Base-Base interactions energy: -297.726
where: short stacking energy: -124.077
Base-Backbone interact. energy: -1.052
local terms energy: -133.691679
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -38.483
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -24.684
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: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -369.166779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.166779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.166779 (E_RNA)
where:
Base-Base interactions energy: -222.047
where: short stacking energy: -112.915
Base-Backbone interact. energy: -0.896
local terms energy: -146.223188
where:
bonds (distance) C4'-P energy: -28.491
bonds (distance) P-C4' energy: -32.360
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -24.252
tors. eta vs tors. theta energy: -28.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -333.728694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.728694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.728694 (E_RNA)
where:
Base-Base interactions energy: -198.836
where: short stacking energy: -105.991
Base-Backbone interact. energy: 0.283
local terms energy: -135.174835
where:
bonds (distance) C4'-P energy: -32.305
bonds (distance) P-C4' energy: -33.024
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -25.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -242.920282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.920282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.920282 (E_RNA)
where:
Base-Base interactions energy: -133.313
where: short stacking energy: -68.088
Base-Backbone interact. energy: 0.210
local terms energy: -109.817518
where:
bonds (distance) C4'-P energy: -33.721
bonds (distance) P-C4' energy: -28.707
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -19.278
tors. eta vs tors. theta energy: -4.594
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: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -177.187208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.187208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.187208 (E_RNA)
where:
Base-Base interactions energy: -71.697
where: short stacking energy: -71.697
Base-Backbone interact. energy: -0.764
local terms energy: -104.726324
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -27.271
flat angles C4'-P-C4' energy: -28.228
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -213.879066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.879066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.879066 (E_RNA)
where:
Base-Base interactions energy: -102.995
where: short stacking energy: -53.949
Base-Backbone interact. energy: -1.185
local terms energy: -109.698921
where:
bonds (distance) C4'-P energy: -30.060
bonds (distance) P-C4' energy: -29.362
flat angles C4'-P-C4' energy: -30.969
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -2.112
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: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -555.024394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.024394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.024394 (E_RNA)
where:
Base-Base interactions energy: -377.366
where: short stacking energy: -176.435
Base-Backbone interact. energy: -0.005
local terms energy: -177.653103
where:
bonds (distance) C4'-P energy: -37.128
bonds (distance) P-C4' energy: -34.787
flat angles C4'-P-C4' energy: -37.783
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -44.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -539.627124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.627124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.627124 (E_RNA)
where:
Base-Base interactions energy: -363.276
where: short stacking energy: -179.635
Base-Backbone interact. energy: -0.870
local terms energy: -175.481296
where:
bonds (distance) C4'-P energy: -30.552
bonds (distance) P-C4' energy: -33.915
flat angles C4'-P-C4' energy: -37.856
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -51.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -489.906701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.906701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.906701 (E_RNA)
where:
Base-Base interactions energy: -328.017
where: short stacking energy: -154.117
Base-Backbone interact. energy: -1.696
local terms energy: -160.194390
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -30.277
flat angles C4'-P-C4' energy: -35.980
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -37.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -476.007655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.007655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.007655 (E_RNA)
where:
Base-Base interactions energy: -308.302
where: short stacking energy: -153.933
Base-Backbone interact. energy: -0.514
local terms energy: -167.191511
where:
bonds (distance) C4'-P energy: -32.598
bonds (distance) P-C4' energy: -30.992
flat angles C4'-P-C4' energy: -33.608
flat angles P-C4'-P energy: -26.438
tors. eta vs tors. theta energy: -43.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -458.782812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.782812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.782812 (E_RNA)
where:
Base-Base interactions energy: -309.832
where: short stacking energy: -131.559
Base-Backbone interact. energy: -1.049
local terms energy: -147.901803
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -33.971
flat angles C4'-P-C4' energy: -29.132
flat angles P-C4'-P energy: -21.735
tors. eta vs tors. theta energy: -33.537
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: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -382.999591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.999591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.999591 (E_RNA)
where:
Base-Base interactions energy: -236.139
where: short stacking energy: -122.352
Base-Backbone interact. energy: -0.123
local terms energy: -146.737870
where:
bonds (distance) C4'-P energy: -32.496
bonds (distance) P-C4' energy: -34.295
flat angles C4'-P-C4' energy: -32.015
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -32.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -340.473872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.473872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.473872 (E_RNA)
where:
Base-Base interactions energy: -207.868
where: short stacking energy: -116.816
Base-Backbone interact. energy: -0.476
local terms energy: -132.130179
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -27.211
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -29.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -262.490711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.490711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.490711 (E_RNA)
where:
Base-Base interactions energy: -133.530
where: short stacking energy: -83.774
Base-Backbone interact. energy: -1.357
local terms energy: -127.603566
where:
bonds (distance) C4'-P energy: -30.289
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -185.454715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.454715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.454715 (E_RNA)
where:
Base-Base interactions energy: -90.803
where: short stacking energy: -75.032
Base-Backbone interact. energy: 0.237
local terms energy: -94.889302
where:
bonds (distance) C4'-P energy: -25.160
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -188.617843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.617843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.617843 (E_RNA)
where:
Base-Base interactions energy: -92.627
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.574
local terms energy: -95.416956
where:
bonds (distance) C4'-P energy: -27.950
bonds (distance) P-C4' energy: -27.479
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -560.363194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.363194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.363194 (E_RNA)
where:
Base-Base interactions energy: -366.897
where: short stacking energy: -192.575
Base-Backbone interact. energy: -0.392
local terms energy: -193.074166
where:
bonds (distance) C4'-P energy: -37.442
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -35.512
flat angles P-C4'-P energy: -31.740
tors. eta vs tors. theta energy: -56.729
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: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -555.352282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.352282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.352282 (E_RNA)
where:
Base-Base interactions energy: -390.367
where: short stacking energy: -169.106
Base-Backbone interact. energy: -0.274
local terms energy: -164.711388
where:
bonds (distance) C4'-P energy: -30.482
bonds (distance) P-C4' energy: -29.591
flat angles C4'-P-C4' energy: -35.843
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -49.069
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: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -484.707847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.707847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.707847 (E_RNA)
where:
Base-Base interactions energy: -327.890
where: short stacking energy: -157.651
Base-Backbone interact. energy: -0.679
local terms energy: -156.138991
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -27.676
flat angles C4'-P-C4' energy: -31.022
flat angles P-C4'-P energy: -24.347
tors. eta vs tors. theta energy: -44.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -473.177191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.177191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.177191 (E_RNA)
where:
Base-Base interactions energy: -313.199
where: short stacking energy: -161.586
Base-Backbone interact. energy: -0.961
local terms energy: -159.017434
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -31.379
flat angles C4'-P-C4' energy: -34.820
flat angles P-C4'-P energy: -21.213
tors. eta vs tors. theta energy: -45.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -446.641708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.641708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.641708 (E_RNA)
where:
Base-Base interactions energy: -307.394
where: short stacking energy: -127.217
Base-Backbone interact. energy: 4.282
local terms energy: -143.530042
where:
bonds (distance) C4'-P energy: -35.127
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -28.547
flat angles P-C4'-P energy: -24.120
tors. eta vs tors. theta energy: -28.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -395.389153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.389153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.389153 (E_RNA)
where:
Base-Base interactions energy: -255.577
where: short stacking energy: -124.355
Base-Backbone interact. energy: -0.956
local terms energy: -138.856480
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -32.823
flat angles C4'-P-C4' energy: -28.948
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: -26.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -341.398988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.398988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.398988 (E_RNA)
where:
Base-Base interactions energy: -209.158
where: short stacking energy: -110.870
Base-Backbone interact. energy: -0.059
local terms energy: -132.181783
where:
bonds (distance) C4'-P energy: -29.480
bonds (distance) P-C4' energy: -28.722
flat angles C4'-P-C4' energy: -31.792
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -252.231189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.231189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.231189 (E_RNA)
where:
Base-Base interactions energy: -135.378
where: short stacking energy: -68.968
Base-Backbone interact. energy: 1.149
local terms energy: -118.002623
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: -9.584
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: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -184.844104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.844104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.844104 (E_RNA)
where:
Base-Base interactions energy: -71.453
where: short stacking energy: -63.785
Base-Backbone interact. energy: 0.240
local terms energy: -113.631284
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -24.673
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -161.607809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.607809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.607809 (E_RNA)
where:
Base-Base interactions energy: -71.105
where: short stacking energy: -58.175
Base-Backbone interact. energy: -1.443
local terms energy: -89.060167
where:
bonds (distance) C4'-P energy: -27.933
bonds (distance) P-C4' energy: -31.310
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -5.257
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: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -551.458157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.458157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.458157 (E_RNA)
where:
Base-Base interactions energy: -369.638
where: short stacking energy: -181.717
Base-Backbone interact. energy: -0.046
local terms energy: -181.774180
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -34.544
flat angles C4'-P-C4' energy: -39.152
flat angles P-C4'-P energy: -26.421
tors. eta vs tors. theta energy: -56.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -554.732178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.732178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.732178 (E_RNA)
where:
Base-Base interactions energy: -391.430
where: short stacking energy: -166.336
Base-Backbone interact. energy: -0.811
local terms energy: -162.490635
where:
bonds (distance) C4'-P energy: -30.351
bonds (distance) P-C4' energy: -31.330
flat angles C4'-P-C4' energy: -32.484
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -44.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -477.823122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.823122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.823122 (E_RNA)
where:
Base-Base interactions energy: -313.560
where: short stacking energy: -145.255
Base-Backbone interact. energy: -0.215
local terms energy: -164.048175
where:
bonds (distance) C4'-P energy: -28.918
bonds (distance) P-C4' energy: -31.114
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -27.866
tors. eta vs tors. theta energy: -39.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -448.218491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.218491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.218491 (E_RNA)
where:
Base-Base interactions energy: -294.189
where: short stacking energy: -144.449
Base-Backbone interact. energy: -1.921
local terms energy: -152.109039
where:
bonds (distance) C4'-P energy: -28.544
bonds (distance) P-C4' energy: -27.118
flat angles C4'-P-C4' energy: -35.720
flat angles P-C4'-P energy: -23.111
tors. eta vs tors. theta energy: -37.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -416.245673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.245673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.245673 (E_RNA)
where:
Base-Base interactions energy: -280.489
where: short stacking energy: -142.878
Base-Backbone interact. energy: -1.341
local terms energy: -134.416599
where:
bonds (distance) C4'-P energy: -29.108
bonds (distance) P-C4' energy: -26.576
flat angles C4'-P-C4' energy: -32.915
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -26.808
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: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -373.583108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.583108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.583108 (E_RNA)
where:
Base-Base interactions energy: -249.496
where: short stacking energy: -137.998
Base-Backbone interact. energy: -0.179
local terms energy: -123.908286
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -29.358
flat angles C4'-P-C4' energy: -26.368
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -32.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -387.934540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.934540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.934540 (E_RNA)
where:
Base-Base interactions energy: -259.849
where: short stacking energy: -112.776
Base-Backbone interact. energy: -2.240
local terms energy: -125.845526
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -33.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -243.185499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.185499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.185499 (E_RNA)
where:
Base-Base interactions energy: -139.118
where: short stacking energy: -77.457
Base-Backbone interact. energy: -1.057
local terms energy: -103.010143
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -30.237
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -206.241777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.241777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.241777 (E_RNA)
where:
Base-Base interactions energy: -116.477
where: short stacking energy: -71.184
Base-Backbone interact. energy: 1.003
local terms energy: -90.767324
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -26.723
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: 0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -150.084116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.084116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.084116 (E_RNA)
where:
Base-Base interactions energy: -59.692
where: short stacking energy: -48.441
Base-Backbone interact. energy: -0.803
local terms energy: -89.589789
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -1.571
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: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -566.665677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.665677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.665677 (E_RNA)
where:
Base-Base interactions energy: -388.183
where: short stacking energy: -174.112
Base-Backbone interact. energy: -0.296
local terms energy: -178.186397
where:
bonds (distance) C4'-P energy: -31.374
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -36.114
flat angles P-C4'-P energy: -32.441
tors. eta vs tors. theta energy: -46.683
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: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -538.801790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.801790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.801790 (E_RNA)
where:
Base-Base interactions energy: -360.884
where: short stacking energy: -169.959
Base-Backbone interact. energy: -0.447
local terms energy: -177.471476
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -34.951
flat angles C4'-P-C4' energy: -34.527
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -52.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -479.011838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.011838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.011838 (E_RNA)
where:
Base-Base interactions energy: -315.057
where: short stacking energy: -149.030
Base-Backbone interact. energy: -0.220
local terms energy: -163.735158
where:
bonds (distance) C4'-P energy: -26.960
bonds (distance) P-C4' energy: -34.478
flat angles C4'-P-C4' energy: -37.478
flat angles P-C4'-P energy: -25.903
tors. eta vs tors. theta energy: -38.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -476.363450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.363450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.363450 (E_RNA)
where:
Base-Base interactions energy: -319.797
where: short stacking energy: -151.012
Base-Backbone interact. energy: -1.176
local terms energy: -155.391061
where:
bonds (distance) C4'-P energy: -31.704
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -32.790
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -36.895
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: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -407.650889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.650889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.650889 (E_RNA)
where:
Base-Base interactions energy: -247.055
where: short stacking energy: -135.024
Base-Backbone interact. energy: -0.096
local terms energy: -160.499755
where:
bonds (distance) C4'-P energy: -28.415
bonds (distance) P-C4' energy: -37.748
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -24.326
tors. eta vs tors. theta energy: -35.593
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: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -417.767443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.767443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.767443 (E_RNA)
where:
Base-Base interactions energy: -279.284
where: short stacking energy: -136.624
Base-Backbone interact. energy: -0.050
local terms energy: -138.432563
where:
bonds (distance) C4'-P energy: -26.481
bonds (distance) P-C4' energy: -29.153
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -29.152
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: 110
Temperature: 1.200000
Total energy: -344.085542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.085542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.085542 (E_RNA)
where:
Base-Base interactions energy: -218.380
where: short stacking energy: -109.667
Base-Backbone interact. energy: -0.193
local terms energy: -125.512781
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -202.757464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.757464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.757464 (E_RNA)
where:
Base-Base interactions energy: -99.406
where: short stacking energy: -66.237
Base-Backbone interact. energy: -2.300
local terms energy: -101.051352
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -198.431231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.431231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.431231 (E_RNA)
where:
Base-Base interactions energy: -105.882
where: short stacking energy: -68.953
Base-Backbone interact. energy: -0.552
local terms energy: -91.997745
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -28.331
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -7.197
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: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -171.302406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.302406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.302406 (E_RNA)
where:
Base-Base interactions energy: -59.518
where: short stacking energy: -54.739
Base-Backbone interact. energy: 5.521
local terms energy: -117.305630
where:
bonds (distance) C4'-P energy: -30.305
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -30.318
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: -8.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -552.703720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.703720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.703720 (E_RNA)
where:
Base-Base interactions energy: -386.184
where: short stacking energy: -166.171
Base-Backbone interact. energy: -0.111
local terms energy: -166.408391
where:
bonds (distance) C4'-P energy: -30.501
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -37.635
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: -43.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -527.754939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.754939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.754939 (E_RNA)
where:
Base-Base interactions energy: -356.486
where: short stacking energy: -173.353
Base-Backbone interact. energy: -0.330
local terms energy: -170.939526
where:
bonds (distance) C4'-P energy: -32.947
bonds (distance) P-C4' energy: -31.625
flat angles C4'-P-C4' energy: -34.283
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -49.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -473.932074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.932074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.932074 (E_RNA)
where:
Base-Base interactions energy: -318.769
where: short stacking energy: -154.126
Base-Backbone interact. energy: -0.285
local terms energy: -154.877837
where:
bonds (distance) C4'-P energy: -25.301
bonds (distance) P-C4' energy: -33.146
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -22.171
tors. eta vs tors. theta energy: -37.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -459.495733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.495733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.495733 (E_RNA)
where:
Base-Base interactions energy: -303.657
where: short stacking energy: -131.738
Base-Backbone interact. energy: -0.384
local terms energy: -155.455087
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -33.645
flat angles C4'-P-C4' energy: -33.657
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -31.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -427.891344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.891344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.891344 (E_RNA)
where:
Base-Base interactions energy: -281.054
where: short stacking energy: -134.821
Base-Backbone interact. energy: -0.056
local terms energy: -146.781370
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: -43.490
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: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -428.335470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.335470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.335470 (E_RNA)
where:
Base-Base interactions energy: -284.244
where: short stacking energy: -136.375
Base-Backbone interact. energy: -1.514
local terms energy: -142.578103
where:
bonds (distance) C4'-P energy: -25.631
bonds (distance) P-C4' energy: -28.868
flat angles C4'-P-C4' energy: -31.600
flat angles P-C4'-P energy: -24.549
tors. eta vs tors. theta energy: -31.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -347.022266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.022266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.022266 (E_RNA)
where:
Base-Base interactions energy: -214.183
where: short stacking energy: -106.337
Base-Backbone interact. energy: -0.572
local terms energy: -132.266543
where:
bonds (distance) C4'-P energy: -24.815
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -33.675
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -23.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -219.161998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.161998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.161998 (E_RNA)
where:
Base-Base interactions energy: -109.251
where: short stacking energy: -67.754
Base-Backbone interact. energy: -0.350
local terms energy: -109.561032
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -19.113
tors. eta vs tors. theta energy: -12.532
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: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -172.551318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.551318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.551318 (E_RNA)
where:
Base-Base interactions energy: -81.445
where: short stacking energy: -64.528
Base-Backbone interact. energy: -0.560
local terms energy: -90.546038
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -6.230
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: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -154.033901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.033901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.033901 (E_RNA)
where:
Base-Base interactions energy: -64.857
where: short stacking energy: -63.851
Base-Backbone interact. energy: 1.325
local terms energy: -90.502314
where:
bonds (distance) C4'-P energy: -32.125
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -542.941452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.941452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.941452 (E_RNA)
where:
Base-Base interactions energy: -364.739
where: short stacking energy: -178.941
Base-Backbone interact. energy: -1.202
local terms energy: -177.000362
where:
bonds (distance) C4'-P energy: -34.901
bonds (distance) P-C4' energy: -34.171
flat angles C4'-P-C4' energy: -36.286
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -51.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -533.404027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.404027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.404027 (E_RNA)
where:
Base-Base interactions energy: -370.573
where: short stacking energy: -163.340
Base-Backbone interact. energy: -0.035
local terms energy: -162.796206
where:
bonds (distance) C4'-P energy: -27.643
bonds (distance) P-C4' energy: -32.473
flat angles C4'-P-C4' energy: -30.138
flat angles P-C4'-P energy: -28.562
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: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -485.851005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.851005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.851005 (E_RNA)
where:
Base-Base interactions energy: -335.146
where: short stacking energy: -147.393
Base-Backbone interact. energy: -1.226
local terms energy: -149.479512
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -29.525
flat angles C4'-P-C4' energy: -30.495
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -40.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -441.015804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.015804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.015804 (E_RNA)
where:
Base-Base interactions energy: -292.926
where: short stacking energy: -130.762
Base-Backbone interact. energy: -1.090
local terms energy: -146.999606
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -28.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -450.132104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.132104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.132104 (E_RNA)
where:
Base-Base interactions energy: -292.913
where: short stacking energy: -148.369
Base-Backbone interact. energy: -1.499
local terms energy: -155.720779
where:
bonds (distance) C4'-P energy: -29.515
bonds (distance) P-C4' energy: -37.098
flat angles C4'-P-C4' energy: -32.138
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -39.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -410.956291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.956291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.956291 (E_RNA)
where:
Base-Base interactions energy: -272.772
where: short stacking energy: -126.489
Base-Backbone interact. energy: -0.787
local terms energy: -137.397062
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -35.120
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -29.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -347.980455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.980455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.980455 (E_RNA)
where:
Base-Base interactions energy: -215.117
where: short stacking energy: -106.295
Base-Backbone interact. energy: -0.783
local terms energy: -132.079686
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -31.451
flat angles C4'-P-C4' energy: -29.822
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -26.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -244.882710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.882710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.882710 (E_RNA)
where:
Base-Base interactions energy: -145.285
where: short stacking energy: -86.769
Base-Backbone interact. energy: -0.376
local terms energy: -99.222078
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -27.897
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -174.501617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.501617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.501617 (E_RNA)
where:
Base-Base interactions energy: -81.212
where: short stacking energy: -71.303
Base-Backbone interact. energy: -0.353
local terms energy: -92.937026
where:
bonds (distance) C4'-P energy: -28.519
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -1.774
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: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -154.764021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.764021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.764021 (E_RNA)
where:
Base-Base interactions energy: -65.365
where: short stacking energy: -53.900
Base-Backbone interact. energy: -0.441
local terms energy: -88.957802
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -27.312
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -4.201
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: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -559.240633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.240633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.240633 (E_RNA)
where:
Base-Base interactions energy: -377.128
where: short stacking energy: -185.900
Base-Backbone interact. energy: -0.272
local terms energy: -181.840237
where:
bonds (distance) C4'-P energy: -31.121
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -37.562
flat angles P-C4'-P energy: -28.891
tors. eta vs tors. theta energy: -53.372
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: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -558.634488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.634488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.634488 (E_RNA)
where:
Base-Base interactions energy: -383.083
where: short stacking energy: -174.603
Base-Backbone interact. energy: -0.157
local terms energy: -175.395021
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -34.889
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -24.461
tors. eta vs tors. theta energy: -47.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -499.214472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.214472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.214472 (E_RNA)
where:
Base-Base interactions energy: -332.510
where: short stacking energy: -156.107
Base-Backbone interact. energy: -0.252
local terms energy: -166.452965
where:
bonds (distance) C4'-P energy: -28.450
bonds (distance) P-C4' energy: -33.430
flat angles C4'-P-C4' energy: -37.755
flat angles P-C4'-P energy: -25.195
tors. eta vs tors. theta energy: -41.623
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: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -465.129962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.129962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.129962 (E_RNA)
where:
Base-Base interactions energy: -311.041
where: short stacking energy: -158.678
Base-Backbone interact. energy: -0.648
local terms energy: -153.441079
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -26.705
flat angles C4'-P-C4' energy: -32.823
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -46.866
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: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -436.371165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.371165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.371165 (E_RNA)
where:
Base-Base interactions energy: -292.408
where: short stacking energy: -127.105
Base-Backbone interact. energy: 1.056
local terms energy: -145.018672
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -29.217
flat angles C4'-P-C4' energy: -35.530
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -30.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -415.862521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.862521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.862521 (E_RNA)
where:
Base-Base interactions energy: -257.790
where: short stacking energy: -126.510
Base-Backbone interact. energy: 1.085
local terms energy: -159.157631
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -34.526
flat angles P-C4'-P energy: -22.547
tors. eta vs tors. theta energy: -32.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -307.494773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.494773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.494773 (E_RNA)
where:
Base-Base interactions energy: -185.327
where: short stacking energy: -103.166
Base-Backbone interact. energy: -0.194
local terms energy: -121.973162
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -35.875
flat angles C4'-P-C4' energy: -28.246
flat angles P-C4'-P energy: -19.849
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -256.159970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.159970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.159970 (E_RNA)
where:
Base-Base interactions energy: -151.520
where: short stacking energy: -93.257
Base-Backbone interact. energy: -1.040
local terms energy: -103.599820
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -29.342
flat angles C4'-P-C4' energy: -24.378
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -12.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -166.756133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.756133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.756133 (E_RNA)
where:
Base-Base interactions energy: -77.553
where: short stacking energy: -67.717
Base-Backbone interact. energy: 0.688
local terms energy: -89.891427
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -26.482
flat angles C4'-P-C4' energy: -26.707
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -173.551563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.551563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.551563 (E_RNA)
where:
Base-Base interactions energy: -74.737
where: short stacking energy: -62.717
Base-Backbone interact. energy: 0.057
local terms energy: -98.871691
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -551.631773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.631773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.631773 (E_RNA)
where:
Base-Base interactions energy: -371.600
where: short stacking energy: -168.992
Base-Backbone interact. energy: -0.252
local terms energy: -179.779745
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -33.070
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -50.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -538.549860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.549860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.549860 (E_RNA)
where:
Base-Base interactions energy: -357.444
where: short stacking energy: -175.080
Base-Backbone interact. energy: -1.973
local terms energy: -179.133075
where:
bonds (distance) C4'-P energy: -29.663
bonds (distance) P-C4' energy: -34.603
flat angles C4'-P-C4' energy: -36.263
flat angles P-C4'-P energy: -28.508
tors. eta vs tors. theta energy: -50.096
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: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -469.530388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.530388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.530388 (E_RNA)
where:
Base-Base interactions energy: -304.760
where: short stacking energy: -163.617
Base-Backbone interact. energy: -0.260
local terms energy: -164.510198
where:
bonds (distance) C4'-P energy: -30.248
bonds (distance) P-C4' energy: -30.982
flat angles C4'-P-C4' energy: -35.209
flat angles P-C4'-P energy: -25.966
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: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -430.021230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.021230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.021230 (E_RNA)
where:
Base-Base interactions energy: -274.035
where: short stacking energy: -130.519
Base-Backbone interact. energy: -0.220
local terms energy: -155.766422
where:
bonds (distance) C4'-P energy: -27.601
bonds (distance) P-C4' energy: -35.779
flat angles C4'-P-C4' energy: -32.956
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: -33.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -474.673592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.673592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.673592 (E_RNA)
where:
Base-Base interactions energy: -318.429
where: short stacking energy: -156.547
Base-Backbone interact. energy: -0.233
local terms energy: -156.011989
where:
bonds (distance) C4'-P energy: -30.626
bonds (distance) P-C4' energy: -26.926
flat angles C4'-P-C4' energy: -35.670
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -41.001
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: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -402.532043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.532043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.532043 (E_RNA)
where:
Base-Base interactions energy: -255.430
where: short stacking energy: -122.638
Base-Backbone interact. energy: 0.085
local terms energy: -147.186885
where:
bonds (distance) C4'-P energy: -32.700
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -25.880
tors. eta vs tors. theta energy: -26.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -354.556314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.556314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.556314 (E_RNA)
where:
Base-Base interactions energy: -224.191
where: short stacking energy: -116.980
Base-Backbone interact. energy: -1.085
local terms energy: -129.280119
where:
bonds (distance) C4'-P energy: -26.059
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -257.499708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.499708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.499708 (E_RNA)
where:
Base-Base interactions energy: -150.607
where: short stacking energy: -83.510
Base-Backbone interact. energy: -0.982
local terms energy: -105.910691
where:
bonds (distance) C4'-P energy: -33.132
bonds (distance) P-C4' energy: -25.292
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -10.981
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: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -180.064529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.064529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.064529 (E_RNA)
where:
Base-Base interactions energy: -76.343
where: short stacking energy: -47.906
Base-Backbone interact. energy: -0.401
local terms energy: -103.321222
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -30.720
flat angles C4'-P-C4' energy: -29.313
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: 0.334
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: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -163.387115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.387115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.387115 (E_RNA)
where:
Base-Base interactions energy: -60.390
where: short stacking energy: -52.190
Base-Backbone interact. energy: -0.662
local terms energy: -102.334660
where:
bonds (distance) C4'-P energy: -32.265
bonds (distance) P-C4' energy: -31.481
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -3.440
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: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -556.130063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.130063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.130063 (E_RNA)
where:
Base-Base interactions energy: -376.087
where: short stacking energy: -163.578
Base-Backbone interact. energy: 2.287
local terms energy: -182.329971
where:
bonds (distance) C4'-P energy: -32.545
bonds (distance) P-C4' energy: -34.777
flat angles C4'-P-C4' energy: -36.978
flat angles P-C4'-P energy: -27.924
tors. eta vs tors. theta energy: -50.106
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: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -548.385683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.385683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.385683 (E_RNA)
where:
Base-Base interactions energy: -366.968
where: short stacking energy: -185.228
Base-Backbone interact. energy: -1.112
local terms energy: -180.305754
where:
bonds (distance) C4'-P energy: -32.176
bonds (distance) P-C4' energy: -35.167
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -22.182
tors. eta vs tors. theta energy: -55.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -445.558004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.558004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.558004 (E_RNA)
where:
Base-Base interactions energy: -293.809
where: short stacking energy: -139.724
Base-Backbone interact. energy: 0.077
local terms energy: -151.825940
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -35.833
flat angles P-C4'-P energy: -23.959
tors. eta vs tors. theta energy: -34.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -489.402569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.402569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.402569 (E_RNA)
where:
Base-Base interactions energy: -323.627
where: short stacking energy: -157.137
Base-Backbone interact. energy: 0.067
local terms energy: -165.842326
where:
bonds (distance) C4'-P energy: -35.241
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -35.326
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: -44.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -449.742927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.742927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.742927 (E_RNA)
where:
Base-Base interactions energy: -302.405
where: short stacking energy: -135.337
Base-Backbone interact. energy: -0.373
local terms energy: -146.965297
where:
bonds (distance) C4'-P energy: -29.922
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -24.185
tors. eta vs tors. theta energy: -33.646
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: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -390.589774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.589774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.589774 (E_RNA)
where:
Base-Base interactions energy: -248.614
where: short stacking energy: -116.729
Base-Backbone interact. energy: -0.810
local terms energy: -141.165975
where:
bonds (distance) C4'-P energy: -30.608
bonds (distance) P-C4' energy: -28.993
flat angles C4'-P-C4' energy: -32.095
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -31.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -351.348516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.348516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.348516 (E_RNA)
where:
Base-Base interactions energy: -221.969
where: short stacking energy: -120.101
Base-Backbone interact. energy: -0.019
local terms energy: -129.359914
where:
bonds (distance) C4'-P energy: -23.706
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -22.386
tors. eta vs tors. theta energy: -26.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -243.805985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.805985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.805985 (E_RNA)
where:
Base-Base interactions energy: -121.201
where: short stacking energy: -82.368
Base-Backbone interact. energy: -0.282
local terms energy: -122.323076
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -32.977
flat angles C4'-P-C4' energy: -28.328
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -192.287511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.287511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.287511 (E_RNA)
where:
Base-Base interactions energy: -73.484
where: short stacking energy: -62.272
Base-Backbone interact. energy: -0.781
local terms energy: -118.022445
where:
bonds (distance) C4'-P energy: -31.308
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -21.585
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -182.745611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.745611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.745611 (E_RNA)
where:
Base-Base interactions energy: -76.935
where: short stacking energy: -64.421
Base-Backbone interact. energy: -0.701
local terms energy: -105.109540
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -29.182
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -552.425940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.425940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.425940 (E_RNA)
where:
Base-Base interactions energy: -371.855
where: short stacking energy: -188.436
Base-Backbone interact. energy: 0.010
local terms energy: -180.580919
where:
bonds (distance) C4'-P energy: -34.895
bonds (distance) P-C4' energy: -28.249
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -30.385
tors. eta vs tors. theta energy: -53.277
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: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -544.793295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.793295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.793295 (E_RNA)
where:
Base-Base interactions energy: -378.757
where: short stacking energy: -165.170
Base-Backbone interact. energy: -0.149
local terms energy: -165.886993
where:
bonds (distance) C4'-P energy: -30.473
bonds (distance) P-C4' energy: -29.340
flat angles C4'-P-C4' energy: -32.578
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -51.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -491.811237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.811237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.811237 (E_RNA)
where:
Base-Base interactions energy: -320.803
where: short stacking energy: -164.836
Base-Backbone interact. energy: -0.404
local terms energy: -170.604256
where:
bonds (distance) C4'-P energy: -36.689
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -34.402
flat angles P-C4'-P energy: -26.512
tors. eta vs tors. theta energy: -49.323
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: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -446.996531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.996531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.996531 (E_RNA)
where:
Base-Base interactions energy: -290.126
where: short stacking energy: -142.782
Base-Backbone interact. energy: -0.621
local terms energy: -156.250014
where:
bonds (distance) C4'-P energy: -27.549
bonds (distance) P-C4' energy: -32.720
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -28.701
tors. eta vs tors. theta energy: -42.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -452.215472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.215472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.215472 (E_RNA)
where:
Base-Base interactions energy: -307.237
where: short stacking energy: -143.116
Base-Backbone interact. energy: -0.737
local terms energy: -144.240590
where:
bonds (distance) C4'-P energy: -29.642
bonds (distance) P-C4' energy: -29.249
flat angles C4'-P-C4' energy: -31.909
flat angles P-C4'-P energy: -19.720
tors. eta vs tors. theta energy: -33.721
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: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -407.157652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.157652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.157652 (E_RNA)
where:
Base-Base interactions energy: -260.878
where: short stacking energy: -133.215
Base-Backbone interact. energy: -1.652
local terms energy: -144.627980
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -34.311
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -24.248
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: 7, replica: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -353.801548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.801548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.801548 (E_RNA)
where:
Base-Base interactions energy: -229.187
where: short stacking energy: -113.234
Base-Backbone interact. energy: -0.535
local terms energy: -124.079309
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -28.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -183.256258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.256258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.256258 (E_RNA)
where:
Base-Base interactions energy: -71.688
where: short stacking energy: -65.843
Base-Backbone interact. energy: -0.474
local terms energy: -111.094398
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -34.054
flat angles C4'-P-C4' energy: -28.210
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -166.318079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.318079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.318079 (E_RNA)
where:
Base-Base interactions energy: -65.566
where: short stacking energy: -53.263
Base-Backbone interact. energy: -1.245
local terms energy: -99.506510
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -27.285
flat angles C4'-P-C4' energy: -29.787
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -9.078
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: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -159.536101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.536101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.536101 (E_RNA)
where:
Base-Base interactions energy: -63.310
where: short stacking energy: -60.758
Base-Backbone interact. energy: -1.479
local terms energy: -94.747402
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -30.627
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -8.047
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: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -549.046421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.046421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.046421 (E_RNA)
where:
Base-Base interactions energy: -375.391
where: short stacking energy: -182.055
Base-Backbone interact. energy: -0.882
local terms energy: -172.773038
where:
bonds (distance) C4'-P energy: -31.373
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -34.582
flat angles P-C4'-P energy: -24.715
tors. eta vs tors. theta energy: -50.348
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: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -552.806454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.806454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.806454 (E_RNA)
where:
Base-Base interactions energy: -388.816
where: short stacking energy: -171.961
Base-Backbone interact. energy: -0.240
local terms energy: -163.749776
where:
bonds (distance) C4'-P energy: -28.479
bonds (distance) P-C4' energy: -30.176
flat angles C4'-P-C4' energy: -36.464
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -45.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -476.552685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.552685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.552685 (E_RNA)
where:
Base-Base interactions energy: -307.072
where: short stacking energy: -143.998
Base-Backbone interact. energy: -0.760
local terms energy: -168.720514
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -31.655
flat angles C4'-P-C4' energy: -36.528
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -46.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -480.703686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.703686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.703686 (E_RNA)
where:
Base-Base interactions energy: -309.619
where: short stacking energy: -149.967
Base-Backbone interact. energy: -0.719
local terms energy: -170.365635
where:
bonds (distance) C4'-P energy: -34.039
bonds (distance) P-C4' energy: -32.474
flat angles C4'-P-C4' energy: -36.670
flat angles P-C4'-P energy: -25.753
tors. eta vs tors. theta energy: -41.430
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: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -443.361816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.361816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.361816 (E_RNA)
where:
Base-Base interactions energy: -290.525
where: short stacking energy: -152.336
Base-Backbone interact. energy: -0.342
local terms energy: -152.495165
where:
bonds (distance) C4'-P energy: -27.792
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -33.311
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -37.508
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: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -395.358566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.358566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.358566 (E_RNA)
where:
Base-Base interactions energy: -257.037
where: short stacking energy: -118.244
Base-Backbone interact. energy: -0.644
local terms energy: -137.677762
where:
bonds (distance) C4'-P energy: -28.941
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -24.948
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: 117
Temperature: 1.200000
Total energy: -344.860645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.860645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.860645 (E_RNA)
where:
Base-Base interactions energy: -233.549
where: short stacking energy: -105.232
Base-Backbone interact. energy: -0.485
local terms energy: -110.826602
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -25.346
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -15.995
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: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -220.200512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.200512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.200512 (E_RNA)
where:
Base-Base interactions energy: -121.509
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.296
local terms energy: -98.395638
where:
bonds (distance) C4'-P energy: -27.266
bonds (distance) P-C4' energy: -28.718
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -188.190009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.190009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.190009 (E_RNA)
where:
Base-Base interactions energy: -87.275
where: short stacking energy: -76.326
Base-Backbone interact. energy: -0.729
local terms energy: -100.185242
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -31.356
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -162.699048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.699048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.699048 (E_RNA)
where:
Base-Base interactions energy: -75.107
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.626
local terms energy: -86.965784
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -29.031
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: 1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -566.534052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.534052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.534052 (E_RNA)
where:
Base-Base interactions energy: -392.841
where: short stacking energy: -172.663
Base-Backbone interact. energy: -0.013
local terms energy: -173.679527
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -32.749
flat angles C4'-P-C4' energy: -36.122
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: -48.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -533.699495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.699495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.699495 (E_RNA)
where:
Base-Base interactions energy: -376.306
where: short stacking energy: -171.565
Base-Backbone interact. energy: -0.978
local terms energy: -156.416196
where:
bonds (distance) C4'-P energy: -30.500
bonds (distance) P-C4' energy: -26.627
flat angles C4'-P-C4' energy: -33.044
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -43.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -478.360988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.360988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.360988 (E_RNA)
where:
Base-Base interactions energy: -309.438
where: short stacking energy: -150.119
Base-Backbone interact. energy: -0.277
local terms energy: -168.645694
where:
bonds (distance) C4'-P energy: -32.903
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -21.384
tors. eta vs tors. theta energy: -46.390
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: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -485.984984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.984984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.984984 (E_RNA)
where:
Base-Base interactions energy: -325.901
where: short stacking energy: -160.337
Base-Backbone interact. energy: -0.660
local terms energy: -159.424331
where:
bonds (distance) C4'-P energy: -32.616
bonds (distance) P-C4' energy: -30.091
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -23.020
tors. eta vs tors. theta energy: -41.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -436.598562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.598562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.598562 (E_RNA)
where:
Base-Base interactions energy: -284.271
where: short stacking energy: -148.672
Base-Backbone interact. energy: -0.905
local terms energy: -151.422248
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -28.272
flat angles C4'-P-C4' energy: -32.207
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -40.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -414.647545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.647545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.647545 (E_RNA)
where:
Base-Base interactions energy: -276.627
where: short stacking energy: -119.143
Base-Backbone interact. energy: -0.864
local terms energy: -137.156400
where:
bonds (distance) C4'-P energy: -29.498
bonds (distance) P-C4' energy: -26.660
flat angles C4'-P-C4' energy: -30.930
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -31.375
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: 118
Temperature: 1.200000
Total energy: -353.533205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.533205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.533205 (E_RNA)
where:
Base-Base interactions energy: -227.472
where: short stacking energy: -123.734
Base-Backbone interact. energy: -0.366
local terms energy: -125.695150
where:
bonds (distance) C4'-P energy: -30.380
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -28.534
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -33.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -212.697607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.697607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.697607 (E_RNA)
where:
Base-Base interactions energy: -116.107
where: short stacking energy: -78.336
Base-Backbone interact. energy: -0.978
local terms energy: -95.612462
where:
bonds (distance) C4'-P energy: -26.748
bonds (distance) P-C4' energy: -31.018
flat angles C4'-P-C4' energy: -28.271
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: 4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -198.857551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.857551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.857551 (E_RNA)
where:
Base-Base interactions energy: -101.794
where: short stacking energy: -66.305
Base-Backbone interact. energy: -0.226
local terms energy: -96.838448
where:
bonds (distance) C4'-P energy: -29.465
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -178.582616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.582616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.582616 (E_RNA)
where:
Base-Base interactions energy: -72.169
where: short stacking energy: -66.329
Base-Backbone interact. energy: 3.624
local terms energy: -110.037508
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -32.473
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -558.529069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.529069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.529069 (E_RNA)
where:
Base-Base interactions energy: -390.090
where: short stacking energy: -169.647
Base-Backbone interact. energy: -1.065
local terms energy: -167.374661
where:
bonds (distance) C4'-P energy: -27.397
bonds (distance) P-C4' energy: -37.590
flat angles C4'-P-C4' energy: -26.181
flat angles P-C4'-P energy: -26.050
tors. eta vs tors. theta energy: -50.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -544.040242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.040242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.040242 (E_RNA)
where:
Base-Base interactions energy: -371.996
where: short stacking energy: -182.671
Base-Backbone interact. energy: -1.399
local terms energy: -170.645502
where:
bonds (distance) C4'-P energy: -28.455
bonds (distance) P-C4' energy: -29.956
flat angles C4'-P-C4' energy: -34.563
flat angles P-C4'-P energy: -26.572
tors. eta vs tors. theta energy: -51.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -470.730164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.730164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.730164 (E_RNA)
where:
Base-Base interactions energy: -309.524
where: short stacking energy: -152.282
Base-Backbone interact. energy: 0.645
local terms energy: -161.850881
where:
bonds (distance) C4'-P energy: -30.844
bonds (distance) P-C4' energy: -33.152
flat angles C4'-P-C4' energy: -33.304
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -43.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -484.137304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.137304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.137304 (E_RNA)
where:
Base-Base interactions energy: -331.329
where: short stacking energy: -158.830
Base-Backbone interact. energy: -0.590
local terms energy: -152.218473
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -34.391
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -38.791
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: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -453.205100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.205100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.205100 (E_RNA)
where:
Base-Base interactions energy: -301.992
where: short stacking energy: -149.578
Base-Backbone interact. energy: -0.647
local terms energy: -150.566535
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -31.873
flat angles C4'-P-C4' energy: -28.381
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: -40.228
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: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -419.528263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.528263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.528263 (E_RNA)
where:
Base-Base interactions energy: -277.378
where: short stacking energy: -131.659
Base-Backbone interact. energy: 0.187
local terms energy: -142.337430
where:
bonds (distance) C4'-P energy: -33.772
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -32.647
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -29.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -364.147913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.147913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.147913 (E_RNA)
where:
Base-Base interactions energy: -228.185
where: short stacking energy: -118.754
Base-Backbone interact. energy: -0.137
local terms energy: -135.825297
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -31.169
flat angles P-C4'-P energy: -21.228
tors. eta vs tors. theta energy: -33.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -167.267760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.267760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.267760 (E_RNA)
where:
Base-Base interactions energy: -66.213
where: short stacking energy: -62.094
Base-Backbone interact. energy: -0.625
local terms energy: -100.429571
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -31.492
flat angles C4'-P-C4' energy: -28.298
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: 5.467
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: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -227.077339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.077339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.077339 (E_RNA)
where:
Base-Base interactions energy: -112.322
where: short stacking energy: -73.472
Base-Backbone interact. energy: -1.023
local terms energy: -113.731704
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -28.257
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -14.625
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: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -169.715322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.715322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.715322 (E_RNA)
where:
Base-Base interactions energy: -88.388
where: short stacking energy: -57.677
Base-Backbone interact. energy: 0.916
local terms energy: -82.242842
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -1.351
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: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -546.068141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.068141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.068141 (E_RNA)
where:
Base-Base interactions energy: -369.207
where: short stacking energy: -170.074
Base-Backbone interact. energy: -0.349
local terms energy: -176.512423
where:
bonds (distance) C4'-P energy: -34.741
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -36.432
flat angles P-C4'-P energy: -25.956
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: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -554.916241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.916241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.916241 (E_RNA)
where:
Base-Base interactions energy: -390.658
where: short stacking energy: -176.795
Base-Backbone interact. energy: -1.152
local terms energy: -163.106765
where:
bonds (distance) C4'-P energy: -32.965
bonds (distance) P-C4' energy: -27.978
flat angles C4'-P-C4' energy: -36.541
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -47.743
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: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -476.678196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.678196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.678196 (E_RNA)
where:
Base-Base interactions energy: -315.253
where: short stacking energy: -150.513
Base-Backbone interact. energy: -0.680
local terms energy: -160.745585
where:
bonds (distance) C4'-P energy: -33.845
bonds (distance) P-C4' energy: -31.489
flat angles C4'-P-C4' energy: -32.309
flat angles P-C4'-P energy: -26.134
tors. eta vs tors. theta energy: -36.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -464.213389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.213389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.213389 (E_RNA)
where:
Base-Base interactions energy: -302.534
where: short stacking energy: -147.462
Base-Backbone interact. energy: -0.752
local terms energy: -160.926603
where:
bonds (distance) C4'-P energy: -33.340
bonds (distance) P-C4' energy: -33.368
flat angles C4'-P-C4' energy: -32.195
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -40.100
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: 120
Temperature: 1.100000
Total energy: -436.511799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.511799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.511799 (E_RNA)
where:
Base-Base interactions energy: -277.230
where: short stacking energy: -131.210
Base-Backbone interact. energy: -0.908
local terms energy: -158.373315
where:
bonds (distance) C4'-P energy: -32.260
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -33.403
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -38.369
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: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -415.354817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.354817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.354817 (E_RNA)
where:
Base-Base interactions energy: -263.695
where: short stacking energy: -133.045
Base-Backbone interact. energy: -0.238
local terms energy: -151.421966
where:
bonds (distance) C4'-P energy: -28.192
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -33.318
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -35.645
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: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -358.548824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.548824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.548824 (E_RNA)
where:
Base-Base interactions energy: -232.978
where: short stacking energy: -133.595
Base-Backbone interact. energy: -0.431
local terms energy: -125.140079
where:
bonds (distance) C4'-P energy: -33.083
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -31.304
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: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -174.825354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.825354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.825354 (E_RNA)
where:
Base-Base interactions energy: -64.298
where: short stacking energy: -61.063
Base-Backbone interact. energy: -0.338
local terms energy: -110.189416
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -32.426
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -8.359
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: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -204.581311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.581311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.581311 (E_RNA)
where:
Base-Base interactions energy: -107.473
where: short stacking energy: -57.223
Base-Backbone interact. energy: -0.475
local terms energy: -96.633130
where:
bonds (distance) C4'-P energy: -29.297
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -178.092233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.092233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.092233 (E_RNA)
where:
Base-Base interactions energy: -84.325
where: short stacking energy: -53.379
Base-Backbone interact. energy: -1.375
local terms energy: -92.391923
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -28.784
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -533.012652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.012652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.012652 (E_RNA)
where:
Base-Base interactions energy: -354.744
where: short stacking energy: -166.969
Base-Backbone interact. energy: -0.052
local terms energy: -178.216553
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -38.887
flat angles C4'-P-C4' energy: -36.176
flat angles P-C4'-P energy: -24.705
tors. eta vs tors. theta energy: -48.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -557.034860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.034860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.034860 (E_RNA)
where:
Base-Base interactions energy: -388.384
where: short stacking energy: -165.468
Base-Backbone interact. energy: 0.474
local terms energy: -169.124621
where:
bonds (distance) C4'-P energy: -30.833
bonds (distance) P-C4' energy: -34.197
flat angles C4'-P-C4' energy: -33.420
flat angles P-C4'-P energy: -24.244
tors. eta vs tors. theta energy: -46.431
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: 121
Temperature: 1.000000
Total energy: -494.630295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.630295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.630295 (E_RNA)
where:
Base-Base interactions energy: -333.025
where: short stacking energy: -159.354
Base-Backbone interact. energy: -2.618
local terms energy: -158.987724
where:
bonds (distance) C4'-P energy: -22.518
bonds (distance) P-C4' energy: -28.049
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -27.289
tors. eta vs tors. theta energy: -47.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -476.579022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.579022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.579022 (E_RNA)
where:
Base-Base interactions energy: -320.620
where: short stacking energy: -153.740
Base-Backbone interact. energy: -2.112
local terms energy: -153.847359
where:
bonds (distance) C4'-P energy: -31.687
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -34.761
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: -39.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -434.812199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.812199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.812199 (E_RNA)
where:
Base-Base interactions energy: -295.310
where: short stacking energy: -138.537
Base-Backbone interact. energy: -0.111
local terms energy: -139.391763
where:
bonds (distance) C4'-P energy: -25.140
bonds (distance) P-C4' energy: -30.113
flat angles C4'-P-C4' energy: -26.817
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -35.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -365.133196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.133196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.133196 (E_RNA)
where:
Base-Base interactions energy: -240.738
where: short stacking energy: -119.872
Base-Backbone interact. energy: -1.707
local terms energy: -122.688395
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -28.298
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: 121
Temperature: 1.200000
Total energy: -340.137328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.137328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.137328 (E_RNA)
where:
Base-Base interactions energy: -215.781
where: short stacking energy: -115.926
Base-Backbone interact. energy: -0.803
local terms energy: -123.553499
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -23.015
tors. eta vs tors. theta energy: -27.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -187.532737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.532737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.532737 (E_RNA)
where:
Base-Base interactions energy: -80.943
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.781
local terms energy: -105.808234
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -33.113
flat angles C4'-P-C4' energy: -26.072
flat angles P-C4'-P energy: -20.458
tors. eta vs tors. theta energy: 0.266
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: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -201.617133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.617133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.617133 (E_RNA)
where:
Base-Base interactions energy: -91.315
where: short stacking energy: -69.174
Base-Backbone interact. energy: -0.402
local terms energy: -109.899474
where:
bonds (distance) C4'-P energy: -27.877
bonds (distance) P-C4' energy: -27.033
flat angles C4'-P-C4' energy: -27.705
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -10.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -158.602068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.602068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.602068 (E_RNA)
where:
Base-Base interactions energy: -56.675
where: short stacking energy: -53.323
Base-Backbone interact. energy: 2.574
local terms energy: -104.500648
where:
bonds (distance) C4'-P energy: -29.216
bonds (distance) P-C4' energy: -32.489
flat angles C4'-P-C4' energy: -30.808
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -7.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -568.144421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.144421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.144421 (E_RNA)
where:
Base-Base interactions energy: -388.117
where: short stacking energy: -181.709
Base-Backbone interact. energy: -0.062
local terms energy: -179.964963
where:
bonds (distance) C4'-P energy: -29.701
bonds (distance) P-C4' energy: -32.207
flat angles C4'-P-C4' energy: -36.963
flat angles P-C4'-P energy: -28.962
tors. eta vs tors. theta energy: -52.132
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: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -532.712854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.712854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.712854 (E_RNA)
where:
Base-Base interactions energy: -350.387
where: short stacking energy: -179.090
Base-Backbone interact. energy: -1.407
local terms energy: -180.919586
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -31.665
flat angles C4'-P-C4' energy: -39.658
flat angles P-C4'-P energy: -24.992
tors. eta vs tors. theta energy: -53.840
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: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -471.434331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.434331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.434331 (E_RNA)
where:
Base-Base interactions energy: -321.456
where: short stacking energy: -157.153
Base-Backbone interact. energy: -0.026
local terms energy: -149.952702
where:
bonds (distance) C4'-P energy: -33.303
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -20.289
tors. eta vs tors. theta energy: -44.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -468.640537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.640537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.640537 (E_RNA)
where:
Base-Base interactions energy: -322.399
where: short stacking energy: -163.495
Base-Backbone interact. energy: -1.308
local terms energy: -144.934064
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -25.416
flat angles C4'-P-C4' energy: -34.245
flat angles P-C4'-P energy: -19.469
tors. eta vs tors. theta energy: -43.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -429.673208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.673208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.673208 (E_RNA)
where:
Base-Base interactions energy: -289.736
where: short stacking energy: -143.014
Base-Backbone interact. energy: -1.743
local terms energy: -138.194354
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -33.336
flat angles C4'-P-C4' energy: -33.021
flat angles P-C4'-P energy: -20.614
tors. eta vs tors. theta energy: -33.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -374.701455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.701455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.701455 (E_RNA)
where:
Base-Base interactions energy: -231.608
where: short stacking energy: -133.499
Base-Backbone interact. energy: -1.055
local terms energy: -142.038449
where:
bonds (distance) C4'-P energy: -34.447
bonds (distance) P-C4' energy: -34.617
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -26.163
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: 122
Temperature: 1.200000
Total energy: -340.895070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.895070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.895070 (E_RNA)
where:
Base-Base interactions energy: -219.311
where: short stacking energy: -97.458
Base-Backbone interact. energy: -0.330
local terms energy: -121.254421
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -26.616
flat angles C4'-P-C4' energy: -31.383
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -22.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -200.812622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.812622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.812622 (E_RNA)
where:
Base-Base interactions energy: -91.803
where: short stacking energy: -82.150
Base-Backbone interact. energy: -1.790
local terms energy: -107.219553
where:
bonds (distance) C4'-P energy: -27.379
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -26.636
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -8.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -171.353878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.353878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.353878 (E_RNA)
where:
Base-Base interactions energy: -64.504
where: short stacking energy: -59.395
Base-Backbone interact. energy: 0.040
local terms energy: -106.889854
where:
bonds (distance) C4'-P energy: -29.111
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -157.924480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.924480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.924480 (E_RNA)
where:
Base-Base interactions energy: -58.405
where: short stacking energy: -53.652
Base-Backbone interact. energy: 1.527
local terms energy: -101.045781
where:
bonds (distance) C4'-P energy: -29.734
bonds (distance) P-C4' energy: -31.484
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -6.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -567.416178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.416178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.416178 (E_RNA)
where:
Base-Base interactions energy: -387.695
where: short stacking energy: -173.441
Base-Backbone interact. energy: -0.534
local terms energy: -179.187499
where:
bonds (distance) C4'-P energy: -31.370
bonds (distance) P-C4' energy: -36.593
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -50.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -543.601081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.601081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.601081 (E_RNA)
where:
Base-Base interactions energy: -366.971
where: short stacking energy: -181.588
Base-Backbone interact. energy: -0.264
local terms energy: -176.366592
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -35.961
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -30.056
tors. eta vs tors. theta energy: -47.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -474.717854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.717854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.717854 (E_RNA)
where:
Base-Base interactions energy: -302.356
where: short stacking energy: -160.797
Base-Backbone interact. energy: -0.345
local terms energy: -172.016917
where:
bonds (distance) C4'-P energy: -35.049
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -34.732
flat angles P-C4'-P energy: -28.906
tors. eta vs tors. theta energy: -45.811
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: 123
Temperature: 1.050000
Total energy: -443.552581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.552581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.552581 (E_RNA)
where:
Base-Base interactions energy: -288.261
where: short stacking energy: -136.163
Base-Backbone interact. energy: 0.293
local terms energy: -155.584299
where:
bonds (distance) C4'-P energy: -33.195
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -35.818
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: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -469.718127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.718127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.718127 (E_RNA)
where:
Base-Base interactions energy: -306.860
where: short stacking energy: -144.782
Base-Backbone interact. energy: -0.689
local terms energy: -162.169733
where:
bonds (distance) C4'-P energy: -30.143
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -34.787
flat angles P-C4'-P energy: -23.012
tors. eta vs tors. theta energy: -43.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -368.541656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.541656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.541656 (E_RNA)
where:
Base-Base interactions energy: -235.475
where: short stacking energy: -115.007
Base-Backbone interact. energy: -0.549
local terms energy: -132.517926
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -38.856
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -21.400
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: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -411.544061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.544061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.544061 (E_RNA)
where:
Base-Base interactions energy: -267.207
where: short stacking energy: -136.628
Base-Backbone interact. energy: -0.259
local terms energy: -144.077512
where:
bonds (distance) C4'-P energy: -28.900
bonds (distance) P-C4' energy: -25.652
flat angles C4'-P-C4' energy: -31.599
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -32.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -190.286430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.286430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.286430 (E_RNA)
where:
Base-Base interactions energy: -88.030
where: short stacking energy: -73.447
Base-Backbone interact. energy: 2.963
local terms energy: -105.219864
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -33.348
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -182.260300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.260300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.260300 (E_RNA)
where:
Base-Base interactions energy: -79.801
where: short stacking energy: -59.958
Base-Backbone interact. energy: 1.215
local terms energy: -103.674815
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -29.384
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -8.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -170.271127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.271127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.271127 (E_RNA)
where:
Base-Base interactions energy: -64.336
where: short stacking energy: -61.265
Base-Backbone interact. energy: -0.332
local terms energy: -105.603633
where:
bonds (distance) C4'-P energy: -27.229
bonds (distance) P-C4' energy: -33.339
flat angles C4'-P-C4' energy: -26.422
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -3.140
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: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -565.703810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.703810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.703810 (E_RNA)
where:
Base-Base interactions energy: -392.774
where: short stacking energy: -174.748
Base-Backbone interact. energy: -0.145
local terms energy: -172.784800
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -35.932
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -50.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -550.865524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.865524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.865524 (E_RNA)
where:
Base-Base interactions energy: -370.099
where: short stacking energy: -179.906
Base-Backbone interact. energy: -1.450
local terms energy: -179.316140
where:
bonds (distance) C4'-P energy: -30.730
bonds (distance) P-C4' energy: -32.831
flat angles C4'-P-C4' energy: -36.600
flat angles P-C4'-P energy: -27.195
tors. eta vs tors. theta energy: -51.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -459.750160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.750160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.750160 (E_RNA)
where:
Base-Base interactions energy: -311.736
where: short stacking energy: -156.053
Base-Backbone interact. energy: -0.002
local terms energy: -148.011938
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -25.879
flat angles C4'-P-C4' energy: -33.889
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -37.929
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: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -439.850518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.850518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.850518 (E_RNA)
where:
Base-Base interactions energy: -309.103
where: short stacking energy: -134.604
Base-Backbone interact. energy: -1.557
local terms energy: -129.190871
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -31.582
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -24.448
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: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -410.058514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.058514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.058514 (E_RNA)
where:
Base-Base interactions energy: -246.914
where: short stacking energy: -116.669
Base-Backbone interact. energy: -0.550
local terms energy: -162.594911
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -37.653
flat angles C4'-P-C4' energy: -36.100
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -33.787
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: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -435.393356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.393356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.393356 (E_RNA)
where:
Base-Base interactions energy: -292.666
where: short stacking energy: -138.022
Base-Backbone interact. energy: -1.394
local terms energy: -141.333168
where:
bonds (distance) C4'-P energy: -28.165
bonds (distance) P-C4' energy: -32.093
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -37.099
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: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -440.499328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.499328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.499328 (E_RNA)
where:
Base-Base interactions energy: -298.095
where: short stacking energy: -132.780
Base-Backbone interact. energy: -1.251
local terms energy: -141.153297
where:
bonds (distance) C4'-P energy: -30.666
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -28.061
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -38.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -171.750934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.750934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.750934 (E_RNA)
where:
Base-Base interactions energy: -58.940
where: short stacking energy: -53.304
Base-Backbone interact. energy: -2.366
local terms energy: -110.444391
where:
bonds (distance) C4'-P energy: -29.179
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -6.502
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: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -179.306857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.306857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.306857 (E_RNA)
where:
Base-Base interactions energy: -81.845
where: short stacking energy: -76.572
Base-Backbone interact. energy: -0.230
local terms energy: -97.231515
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -165.874333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.874333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.874333 (E_RNA)
where:
Base-Base interactions energy: -72.418
where: short stacking energy: -59.189
Base-Backbone interact. energy: -0.910
local terms energy: -92.546695
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -33.118
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -558.252271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.252271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.252271 (E_RNA)
where:
Base-Base interactions energy: -392.179
where: short stacking energy: -172.409
Base-Backbone interact. energy: 0.731
local terms energy: -166.804030
where:
bonds (distance) C4'-P energy: -29.504
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -37.116
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -45.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -541.140341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.140341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.140341 (E_RNA)
where:
Base-Base interactions energy: -364.763
where: short stacking energy: -176.733
Base-Backbone interact. energy: 0.124
local terms energy: -176.501172
where:
bonds (distance) C4'-P energy: -29.836
bonds (distance) P-C4' energy: -34.457
flat angles C4'-P-C4' energy: -35.488
flat angles P-C4'-P energy: -25.470
tors. eta vs tors. theta energy: -51.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -476.153430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.153430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.153430 (E_RNA)
where:
Base-Base interactions energy: -313.014
where: short stacking energy: -149.392
Base-Backbone interact. energy: -0.305
local terms energy: -162.834553
where:
bonds (distance) C4'-P energy: -28.971
bonds (distance) P-C4' energy: -34.138
flat angles C4'-P-C4' energy: -35.778
flat angles P-C4'-P energy: -19.603
tors. eta vs tors. theta energy: -44.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -453.152347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.152347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.152347 (E_RNA)
where:
Base-Base interactions energy: -311.999
where: short stacking energy: -124.368
Base-Backbone interact. energy: -0.712
local terms energy: -140.440934
where:
bonds (distance) C4'-P energy: -29.895
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -37.187
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -29.521
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: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -400.539015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.539015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.539015 (E_RNA)
where:
Base-Base interactions energy: -252.135
where: short stacking energy: -127.260
Base-Backbone interact. energy: 1.316
local terms energy: -149.720099
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -35.708
flat angles C4'-P-C4' energy: -35.697
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -27.712
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: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -485.961903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.961903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.961903 (E_RNA)
where:
Base-Base interactions energy: -329.767
where: short stacking energy: -155.787
Base-Backbone interact. energy: -0.682
local terms energy: -155.512927
where:
bonds (distance) C4'-P energy: -30.384
bonds (distance) P-C4' energy: -27.033
flat angles C4'-P-C4' energy: -35.954
flat angles P-C4'-P energy: -20.956
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: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -422.486328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.486328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.486328 (E_RNA)
where:
Base-Base interactions energy: -290.676
where: short stacking energy: -141.972
Base-Backbone interact. energy: -1.082
local terms energy: -130.728162
where:
bonds (distance) C4'-P energy: -25.006
bonds (distance) P-C4' energy: -28.217
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -33.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -188.661024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.661024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.661024 (E_RNA)
where:
Base-Base interactions energy: -68.074
where: short stacking energy: -52.709
Base-Backbone interact. energy: -0.488
local terms energy: -120.099118
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -33.704
flat angles C4'-P-C4' energy: -32.462
flat angles P-C4'-P energy: -17.411
tors. eta vs tors. theta energy: -6.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -159.226171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.226171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.226171 (E_RNA)
where:
Base-Base interactions energy: -63.014
where: short stacking energy: -54.450
Base-Backbone interact. energy: 1.735
local terms energy: -97.946696
where:
bonds (distance) C4'-P energy: -33.078
bonds (distance) P-C4' energy: -26.120
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -0.283
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: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -150.311281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.311281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.311281 (E_RNA)
where:
Base-Base interactions energy: -50.928
where: short stacking energy: -49.152
Base-Backbone interact. energy: -0.230
local terms energy: -99.152677
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -32.567
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: -1.339
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: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -566.429296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.429296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.429296 (E_RNA)
where:
Base-Base interactions energy: -386.326
where: short stacking energy: -172.147
Base-Backbone interact. energy: -0.600
local terms energy: -179.503768
where:
bonds (distance) C4'-P energy: -29.617
bonds (distance) P-C4' energy: -37.094
flat angles C4'-P-C4' energy: -35.275
flat angles P-C4'-P energy: -30.905
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: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -540.344489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.344489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.344489 (E_RNA)
where:
Base-Base interactions energy: -368.942
where: short stacking energy: -175.376
Base-Backbone interact. energy: -0.562
local terms energy: -170.840537
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -32.068
flat angles C4'-P-C4' energy: -35.932
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -44.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -468.805153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.805153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.805153 (E_RNA)
where:
Base-Base interactions energy: -314.167
where: short stacking energy: -152.875
Base-Backbone interact. energy: 0.069
local terms energy: -154.706887
where:
bonds (distance) C4'-P energy: -28.694
bonds (distance) P-C4' energy: -30.941
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -27.760
tors. eta vs tors. theta energy: -34.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -492.298432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.298432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.298432 (E_RNA)
where:
Base-Base interactions energy: -330.410
where: short stacking energy: -143.568
Base-Backbone interact. energy: -0.094
local terms energy: -161.793886
where:
bonds (distance) C4'-P energy: -32.536
bonds (distance) P-C4' energy: -30.638
flat angles C4'-P-C4' energy: -37.132
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: -39.340
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: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -466.730382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.730382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.730382 (E_RNA)
where:
Base-Base interactions energy: -326.681
where: short stacking energy: -145.314
Base-Backbone interact. energy: -0.588
local terms energy: -139.461667
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -39.017
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: 126
Temperature: 1.150000
Total energy: -368.224242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.224242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.224242 (E_RNA)
where:
Base-Base interactions energy: -239.852
where: short stacking energy: -116.780
Base-Backbone interact. energy: -1.923
local terms energy: -126.449287
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -25.894
flat angles P-C4'-P energy: -22.419
tors. eta vs tors. theta energy: -30.336
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: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -376.457557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.457557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.457557 (E_RNA)
where:
Base-Base interactions energy: -262.370
where: short stacking energy: -123.320
Base-Backbone interact. energy: -0.445
local terms energy: -113.642063
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -27.997
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: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -187.081348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.081348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.081348 (E_RNA)
where:
Base-Base interactions energy: -82.019
where: short stacking energy: -64.532
Base-Backbone interact. energy: -0.179
local terms energy: -104.883622
where:
bonds (distance) C4'-P energy: -34.801
bonds (distance) P-C4' energy: -31.397
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -180.789748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.789748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.789748 (E_RNA)
where:
Base-Base interactions energy: -87.860
where: short stacking energy: -69.757
Base-Backbone interact. energy: -0.216
local terms energy: -92.713688
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -9.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -179.559483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.559483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.559483 (E_RNA)
where:
Base-Base interactions energy: -74.304
where: short stacking energy: -58.856
Base-Backbone interact. energy: -0.918
local terms energy: -104.337474
where:
bonds (distance) C4'-P energy: -32.012
bonds (distance) P-C4' energy: -31.806
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -570.216416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.216416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.216416 (E_RNA)
where:
Base-Base interactions energy: -387.025
where: short stacking energy: -173.310
Base-Backbone interact. energy: -0.005
local terms energy: -183.185912
where:
bonds (distance) C4'-P energy: -33.554
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -37.205
flat angles P-C4'-P energy: -30.302
tors. eta vs tors. theta energy: -48.827
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: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -527.842605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.842605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.842605 (E_RNA)
where:
Base-Base interactions energy: -363.894
where: short stacking energy: -173.779
Base-Backbone interact. energy: -0.564
local terms energy: -163.384354
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -31.556
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -22.928
tors. eta vs tors. theta energy: -46.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -448.391987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.391987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.391987 (E_RNA)
where:
Base-Base interactions energy: -287.548
where: short stacking energy: -145.465
Base-Backbone interact. energy: -0.630
local terms energy: -160.213722
where:
bonds (distance) C4'-P energy: -23.148
bonds (distance) P-C4' energy: -34.356
flat angles C4'-P-C4' energy: -38.767
flat angles P-C4'-P energy: -28.987
tors. eta vs tors. theta energy: -34.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -476.978414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.978414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.978414 (E_RNA)
where:
Base-Base interactions energy: -334.202
where: short stacking energy: -146.118
Base-Backbone interact. energy: 0.377
local terms energy: -143.154150
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -28.834
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -24.307
tors. eta vs tors. theta energy: -40.724
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: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -461.388478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.388478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.388478 (E_RNA)
where:
Base-Base interactions energy: -301.987
where: short stacking energy: -142.440
Base-Backbone interact. energy: -0.612
local terms energy: -158.789033
where:
bonds (distance) C4'-P energy: -31.195
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -30.454
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -41.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -411.699305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.699305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.699305 (E_RNA)
where:
Base-Base interactions energy: -259.965
where: short stacking energy: -137.540
Base-Backbone interact. energy: -0.831
local terms energy: -150.903391
where:
bonds (distance) C4'-P energy: -30.867
bonds (distance) P-C4' energy: -28.593
flat angles C4'-P-C4' energy: -37.487
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -36.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -364.117835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.117835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.117835 (E_RNA)
where:
Base-Base interactions energy: -241.719
where: short stacking energy: -110.515
Base-Backbone interact. energy: -0.253
local terms energy: -122.145483
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -28.712
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -25.083
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: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -176.227541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.227541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.227541 (E_RNA)
where:
Base-Base interactions energy: -79.735
where: short stacking energy: -51.279
Base-Backbone interact. energy: -0.073
local terms energy: -96.419579
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -171.347662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.347662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.347662 (E_RNA)
where:
Base-Base interactions energy: -61.227
where: short stacking energy: -55.873
Base-Backbone interact. energy: 2.377
local terms energy: -112.497870
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -31.617
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -7.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -157.757351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.757351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.757351 (E_RNA)
where:
Base-Base interactions energy: -61.955
where: short stacking energy: -55.744
Base-Backbone interact. energy: -0.307
local terms energy: -95.494900
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -27.379
flat angles C4'-P-C4' energy: -26.431
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -556.361799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.361799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.361799 (E_RNA)
where:
Base-Base interactions energy: -390.848
where: short stacking energy: -171.616
Base-Backbone interact. energy: -0.779
local terms energy: -164.734664
where:
bonds (distance) C4'-P energy: -34.412
bonds (distance) P-C4' energy: -32.754
flat angles C4'-P-C4' energy: -30.553
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -48.566
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: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -534.643400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.643400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.643400 (E_RNA)
where:
Base-Base interactions energy: -359.756
where: short stacking energy: -166.952
Base-Backbone interact. energy: -0.065
local terms energy: -174.822427
where:
bonds (distance) C4'-P energy: -27.353
bonds (distance) P-C4' energy: -37.651
flat angles C4'-P-C4' energy: -33.644
flat angles P-C4'-P energy: -24.612
tors. eta vs tors. theta energy: -51.563
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: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -512.235890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.235890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.235890 (E_RNA)
where:
Base-Base interactions energy: -350.073
where: short stacking energy: -162.789
Base-Backbone interact. energy: -1.861
local terms energy: -160.301748
where:
bonds (distance) C4'-P energy: -34.176
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -30.921
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: -39.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -435.555214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.555214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.555214 (E_RNA)
where:
Base-Base interactions energy: -294.741
where: short stacking energy: -140.074
Base-Backbone interact. energy: -0.855
local terms energy: -139.958823
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -27.857
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -32.645
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: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -462.077892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.077892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.077892 (E_RNA)
where:
Base-Base interactions energy: -312.137
where: short stacking energy: -144.299
Base-Backbone interact. energy: -0.512
local terms energy: -149.428785
where:
bonds (distance) C4'-P energy: -34.285
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -41.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -409.234205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.234205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.234205 (E_RNA)
where:
Base-Base interactions energy: -257.994
where: short stacking energy: -112.092
Base-Backbone interact. energy: -1.528
local terms energy: -149.711497
where:
bonds (distance) C4'-P energy: -33.666
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -37.259
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -27.021
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: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -331.138984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.138984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.138984 (E_RNA)
where:
Base-Base interactions energy: -207.089
where: short stacking energy: -126.773
Base-Backbone interact. energy: -0.682
local terms energy: -123.367878
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -27.249
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -186.924192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.924192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.924192 (E_RNA)
where:
Base-Base interactions energy: -72.103
where: short stacking energy: -64.795
Base-Backbone interact. energy: -0.132
local terms energy: -114.689251
where:
bonds (distance) C4'-P energy: -31.149
bonds (distance) P-C4' energy: -31.050
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -168.487454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.487454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.487454 (E_RNA)
where:
Base-Base interactions energy: -71.400
where: short stacking energy: -59.992
Base-Backbone interact. energy: -0.491
local terms energy: -96.596456
where:
bonds (distance) C4'-P energy: -26.108
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -23.330
tors. eta vs tors. theta energy: -8.788
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: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -151.679658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.679658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.679658 (E_RNA)
where:
Base-Base interactions energy: -63.311
where: short stacking energy: -55.909
Base-Backbone interact. energy: -0.696
local terms energy: -87.672541
where:
bonds (distance) C4'-P energy: -22.766
bonds (distance) P-C4' energy: -28.715
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -559.283987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.283987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.283987 (E_RNA)
where:
Base-Base interactions energy: -382.800
where: short stacking energy: -167.431
Base-Backbone interact. energy: -0.258
local terms energy: -176.225813
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -34.035
flat angles C4'-P-C4' energy: -38.059
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -48.447
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: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -528.843129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.843129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.843129 (E_RNA)
where:
Base-Base interactions energy: -361.432
where: short stacking energy: -162.042
Base-Backbone interact. energy: 1.100
local terms energy: -168.511014
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -33.379
flat angles C4'-P-C4' energy: -34.292
flat angles P-C4'-P energy: -29.284
tors. eta vs tors. theta energy: -43.262
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: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -509.092468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.092468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.092468 (E_RNA)
where:
Base-Base interactions energy: -349.714
where: short stacking energy: -165.159
Base-Backbone interact. energy: -0.034
local terms energy: -159.343851
where:
bonds (distance) C4'-P energy: -32.974
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -33.030
flat angles P-C4'-P energy: -19.522
tors. eta vs tors. theta energy: -38.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -463.704439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.704439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.704439 (E_RNA)
where:
Base-Base interactions energy: -289.908
where: short stacking energy: -155.766
Base-Backbone interact. energy: -0.063
local terms energy: -173.733338
where:
bonds (distance) C4'-P energy: -37.704
bonds (distance) P-C4' energy: -30.789
flat angles C4'-P-C4' energy: -35.476
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -41.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -426.889128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.889128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.889128 (E_RNA)
where:
Base-Base interactions energy: -299.706
where: short stacking energy: -134.324
Base-Backbone interact. energy: 0.566
local terms energy: -127.749025
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -29.561
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -29.327
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: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -425.378041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.378041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.378041 (E_RNA)
where:
Base-Base interactions energy: -287.123
where: short stacking energy: -127.521
Base-Backbone interact. energy: -0.726
local terms energy: -137.529432
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -32.749
flat angles C4'-P-C4' energy: -28.524
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -33.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -336.872904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.872904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.872904 (E_RNA)
where:
Base-Base interactions energy: -205.322
where: short stacking energy: -106.536
Base-Backbone interact. energy: -1.121
local terms energy: -130.429702
where:
bonds (distance) C4'-P energy: -31.515
bonds (distance) P-C4' energy: -27.432
flat angles C4'-P-C4' energy: -28.973
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -202.339360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.339360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.339360 (E_RNA)
where:
Base-Base interactions energy: -84.241
where: short stacking energy: -74.714
Base-Backbone interact. energy: -0.319
local terms energy: -117.779159
where:
bonds (distance) C4'-P energy: -25.015
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -175.281505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.281505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.281505 (E_RNA)
where:
Base-Base interactions energy: -64.057
where: short stacking energy: -54.059
Base-Backbone interact. energy: -0.054
local terms energy: -111.170206
where:
bonds (distance) C4'-P energy: -32.675
bonds (distance) P-C4' energy: -31.238
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -157.840035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.840035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.840035 (E_RNA)
where:
Base-Base interactions energy: -66.673
where: short stacking energy: -48.595
Base-Backbone interact. energy: -0.489
local terms energy: -90.678209
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -27.382
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -7.094
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: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -568.620894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.620894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.620894 (E_RNA)
where:
Base-Base interactions energy: -388.965
where: short stacking energy: -169.729
Base-Backbone interact. energy: -0.169
local terms energy: -179.486849
where:
bonds (distance) C4'-P energy: -32.924
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -35.659
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -50.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -540.091552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.091552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.091552 (E_RNA)
where:
Base-Base interactions energy: -363.561
where: short stacking energy: -183.794
Base-Backbone interact. energy: -0.524
local terms energy: -176.006510
where:
bonds (distance) C4'-P energy: -37.083
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -38.776
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -46.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -503.921609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.921609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.921609 (E_RNA)
where:
Base-Base interactions energy: -345.140
where: short stacking energy: -160.740
Base-Backbone interact. energy: -0.246
local terms energy: -158.535158
where:
bonds (distance) C4'-P energy: -34.308
bonds (distance) P-C4' energy: -36.663
flat angles C4'-P-C4' energy: -29.945
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -37.292
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: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -461.752221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.752221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.752221 (E_RNA)
where:
Base-Base interactions energy: -304.500
where: short stacking energy: -146.593
Base-Backbone interact. energy: -0.636
local terms energy: -156.616844
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -32.042
flat angles P-C4'-P energy: -27.311
tors. eta vs tors. theta energy: -39.516
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: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -422.194391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.194391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.194391 (E_RNA)
where:
Base-Base interactions energy: -290.021
where: short stacking energy: -129.456
Base-Backbone interact. energy: -2.268
local terms energy: -129.905967
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -27.976
flat angles C4'-P-C4' energy: -28.507
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -432.039723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.039723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.039723 (E_RNA)
where:
Base-Base interactions energy: -293.483
where: short stacking energy: -155.045
Base-Backbone interact. energy: -0.061
local terms energy: -138.495632
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -27.024
flat angles P-C4'-P energy: -24.750
tors. eta vs tors. theta energy: -34.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -364.833989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.833989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.833989 (E_RNA)
where:
Base-Base interactions energy: -236.150
where: short stacking energy: -124.386
Base-Backbone interact. energy: 0.451
local terms energy: -129.135696
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -37.927
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -36.452
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: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -196.034024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.034024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.034024 (E_RNA)
where:
Base-Base interactions energy: -80.696
where: short stacking energy: -74.237
Base-Backbone interact. energy: -0.344
local terms energy: -114.994748
where:
bonds (distance) C4'-P energy: -29.112
bonds (distance) P-C4' energy: -32.374
flat angles C4'-P-C4' energy: -25.704
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -175.272955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.272955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.272955 (E_RNA)
where:
Base-Base interactions energy: -91.424
where: short stacking energy: -57.557
Base-Backbone interact. energy: -0.398
local terms energy: -83.450993
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -22.857
flat angles P-C4'-P energy: -17.423
tors. eta vs tors. theta energy: 3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -156.578053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.578053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.578053 (E_RNA)
where:
Base-Base interactions energy: -56.000
where: short stacking energy: -50.532
Base-Backbone interact. energy: -0.930
local terms energy: -99.647569
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -28.042
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: 2.294
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: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -560.806300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.806300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.806300 (E_RNA)
where:
Base-Base interactions energy: -400.327
where: short stacking energy: -183.016
Base-Backbone interact. energy: -0.315
local terms energy: -160.164440
where:
bonds (distance) C4'-P energy: -26.123
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -35.596
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -48.847
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: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -532.827676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.827676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.827676 (E_RNA)
where:
Base-Base interactions energy: -358.407
where: short stacking energy: -171.199
Base-Backbone interact. energy: -0.642
local terms energy: -173.778412
where:
bonds (distance) C4'-P energy: -33.605
bonds (distance) P-C4' energy: -30.599
flat angles C4'-P-C4' energy: -33.080
flat angles P-C4'-P energy: -28.463
tors. eta vs tors. theta energy: -48.031
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: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -521.717761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.717761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.717761 (E_RNA)
where:
Base-Base interactions energy: -362.030
where: short stacking energy: -164.885
Base-Backbone interact. energy: -1.048
local terms energy: -158.639276
where:
bonds (distance) C4'-P energy: -30.016
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -32.570
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -38.937
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: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -470.427765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.427765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.427765 (E_RNA)
where:
Base-Base interactions energy: -317.420
where: short stacking energy: -140.230
Base-Backbone interact. energy: 1.129
local terms energy: -154.136883
where:
bonds (distance) C4'-P energy: -30.080
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -34.494
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -38.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -443.279997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.279997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.279997 (E_RNA)
where:
Base-Base interactions energy: -283.376
where: short stacking energy: -148.551
Base-Backbone interact. energy: -0.938
local terms energy: -158.966582
where:
bonds (distance) C4'-P energy: -31.647
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -36.409
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -40.687
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: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -389.009403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.009403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.009403 (E_RNA)
where:
Base-Base interactions energy: -244.836
where: short stacking energy: -129.793
Base-Backbone interact. energy: 0.242
local terms energy: -144.415612
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -27.125
tors. eta vs tors. theta energy: -31.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -408.720226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.720226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.720226 (E_RNA)
where:
Base-Base interactions energy: -268.133
where: short stacking energy: -127.033
Base-Backbone interact. energy: 0.746
local terms energy: -141.332579
where:
bonds (distance) C4'-P energy: -29.119
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -23.612
tors. eta vs tors. theta energy: -29.229
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: 7
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -181.874817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.874817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.874817 (E_RNA)
where:
Base-Base interactions energy: -82.192
where: short stacking energy: -80.551
Base-Backbone interact. energy: -0.728
local terms energy: -98.954868
where:
bonds (distance) C4'-P energy: -28.517
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -19.060
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -151.092881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.092881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.092881 (E_RNA)
where:
Base-Base interactions energy: -67.917
where: short stacking energy: -49.834
Base-Backbone interact. energy: 0.303
local terms energy: -83.478424
where:
bonds (distance) C4'-P energy: -23.898
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: 0.437
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: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -155.462125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.462125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.462125 (E_RNA)
where:
Base-Base interactions energy: -53.247
where: short stacking energy: -45.062
Base-Backbone interact. energy: -0.278
local terms energy: -101.937169
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -33.366
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -6.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -556.087176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.087176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.087176 (E_RNA)
where:
Base-Base interactions energy: -376.474
where: short stacking energy: -185.978
Base-Backbone interact. energy: -0.363
local terms energy: -179.250614
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -31.973
flat angles C4'-P-C4' energy: -38.374
flat angles P-C4'-P energy: -23.001
tors. eta vs tors. theta energy: -52.972
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: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -549.021970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.021970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.021970 (E_RNA)
where:
Base-Base interactions energy: -375.831
where: short stacking energy: -178.319
Base-Backbone interact. energy: -0.016
local terms energy: -173.174809
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -29.347
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -22.832
tors. eta vs tors. theta energy: -52.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -515.504357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.504357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.504357 (E_RNA)
where:
Base-Base interactions energy: -350.372
where: short stacking energy: -163.424
Base-Backbone interact. energy: -1.043
local terms energy: -164.089392
where:
bonds (distance) C4'-P energy: -32.694
bonds (distance) P-C4' energy: -30.223
flat angles C4'-P-C4' energy: -31.939
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: -44.644
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: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -478.269008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.269008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.269008 (E_RNA)
where:
Base-Base interactions energy: -316.099
where: short stacking energy: -156.071
Base-Backbone interact. energy: -0.327
local terms energy: -161.842865
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -32.918
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -49.227
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: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -449.961651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.961651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.961651 (E_RNA)
where:
Base-Base interactions energy: -307.401
where: short stacking energy: -154.732
Base-Backbone interact. energy: -0.801
local terms energy: -141.758731
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -37.186
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: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -388.831019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.831019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.831019 (E_RNA)
where:
Base-Base interactions energy: -242.330
where: short stacking energy: -117.579
Base-Backbone interact. energy: -1.596
local terms energy: -144.905268
where:
bonds (distance) C4'-P energy: -29.625
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -33.234
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: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -419.588437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.588437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.588437 (E_RNA)
where:
Base-Base interactions energy: -275.730
where: short stacking energy: -120.465
Base-Backbone interact. energy: -0.305
local terms energy: -143.553672
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -32.717
flat angles C4'-P-C4' energy: -38.469
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -24.112
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: 7
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -193.942641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.942641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.942641 (E_RNA)
where:
Base-Base interactions energy: -87.415
where: short stacking energy: -62.473
Base-Backbone interact. energy: -0.338
local terms energy: -106.188965
where:
bonds (distance) C4'-P energy: -30.576
bonds (distance) P-C4' energy: -33.404
flat angles C4'-P-C4' energy: -25.789
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -1.493
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: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -167.007394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.007394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.007394 (E_RNA)
where:
Base-Base interactions energy: -71.027
where: short stacking energy: -64.419
Base-Backbone interact. energy: -0.891
local terms energy: -95.089803
where:
bonds (distance) C4'-P energy: -26.011
bonds (distance) P-C4' energy: -32.626
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -155.278301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.278301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.278301 (E_RNA)
where:
Base-Base interactions energy: -65.806
where: short stacking energy: -56.095
Base-Backbone interact. energy: -0.280
local terms energy: -89.192281
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -32.094
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -552.291511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.291511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.291511 (E_RNA)
where:
Base-Base interactions energy: -365.740
where: short stacking energy: -178.140
Base-Backbone interact. energy: -0.412
local terms energy: -186.139776
where:
bonds (distance) C4'-P energy: -32.860
bonds (distance) P-C4' energy: -37.297
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: -51.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -550.202210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.202210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.202210 (E_RNA)
where:
Base-Base interactions energy: -379.037
where: short stacking energy: -172.013
Base-Backbone interact. energy: -1.052
local terms energy: -170.113672
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -32.335
flat angles C4'-P-C4' energy: -33.496
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: -48.750
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: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -525.869759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.869759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.869759 (E_RNA)
where:
Base-Base interactions energy: -348.376
where: short stacking energy: -175.609
Base-Backbone interact. energy: -0.721
local terms energy: -176.772866
where:
bonds (distance) C4'-P energy: -24.327
bonds (distance) P-C4' energy: -36.064
flat angles C4'-P-C4' energy: -37.037
flat angles P-C4'-P energy: -27.742
tors. eta vs tors. theta energy: -51.603
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: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -454.510484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.510484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.510484 (E_RNA)
where:
Base-Base interactions energy: -301.932
where: short stacking energy: -149.348
Base-Backbone interact. energy: -0.397
local terms energy: -152.181505
where:
bonds (distance) C4'-P energy: -29.543
bonds (distance) P-C4' energy: -30.325
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: -40.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -433.959687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.959687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.959687 (E_RNA)
where:
Base-Base interactions energy: -286.647
where: short stacking energy: -139.712
Base-Backbone interact. energy: 0.173
local terms energy: -147.486290
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -33.048
flat angles C4'-P-C4' energy: -33.344
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -32.177
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: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -431.407568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.407568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.407568 (E_RNA)
where:
Base-Base interactions energy: -301.828
where: short stacking energy: -144.622
Base-Backbone interact. energy: -0.355
local terms energy: -129.224848
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -33.590
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: 133
Temperature: 1.200000
Total energy: -361.632854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.632854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.632854 (E_RNA)
where:
Base-Base interactions energy: -248.157
where: short stacking energy: -119.199
Base-Backbone interact. energy: 0.396
local terms energy: -113.871305
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -28.593
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: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -170.834754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.834754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.834754 (E_RNA)
where:
Base-Base interactions energy: -67.886
where: short stacking energy: -62.887
Base-Backbone interact. energy: -0.480
local terms energy: -102.468188
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -31.274
flat angles C4'-P-C4' energy: -29.280
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -180.396981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.396981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.396981 (E_RNA)
where:
Base-Base interactions energy: -78.250
where: short stacking energy: -73.469
Base-Backbone interact. energy: -1.128
local terms energy: -101.019146
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -31.186
flat angles C4'-P-C4' energy: -26.284
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -7.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -149.104207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.104207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.104207 (E_RNA)
where:
Base-Base interactions energy: -67.363
where: short stacking energy: -52.066
Base-Backbone interact. energy: -0.125
local terms energy: -81.615689
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -27.572
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: 6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -547.548212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.548212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.548212 (E_RNA)
where:
Base-Base interactions energy: -369.705
where: short stacking energy: -176.626
Base-Backbone interact. energy: -0.112
local terms energy: -177.731274
where:
bonds (distance) C4'-P energy: -29.862
bonds (distance) P-C4' energy: -36.830
flat angles C4'-P-C4' energy: -34.463
flat angles P-C4'-P energy: -26.349
tors. eta vs tors. theta energy: -50.227
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: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -551.099156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.099156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.099156 (E_RNA)
where:
Base-Base interactions energy: -385.637
where: short stacking energy: -171.885
Base-Backbone interact. energy: -0.251
local terms energy: -165.211584
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -30.611
flat angles C4'-P-C4' energy: -37.368
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -42.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -524.783720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.783720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.783720 (E_RNA)
where:
Base-Base interactions energy: -353.179
where: short stacking energy: -164.894
Base-Backbone interact. energy: -0.315
local terms energy: -171.289863
where:
bonds (distance) C4'-P energy: -33.761
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -48.452
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: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -470.450562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.450562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.450562 (E_RNA)
where:
Base-Base interactions energy: -316.568
where: short stacking energy: -161.830
Base-Backbone interact. energy: -0.355
local terms energy: -153.527276
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -45.349
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: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -432.518753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.518753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.518753 (E_RNA)
where:
Base-Base interactions energy: -274.063
where: short stacking energy: -138.993
Base-Backbone interact. energy: -0.689
local terms energy: -157.767320
where:
bonds (distance) C4'-P energy: -31.030
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -34.909
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -37.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -415.598016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.598016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.598016 (E_RNA)
where:
Base-Base interactions energy: -281.167
where: short stacking energy: -134.703
Base-Backbone interact. energy: -0.466
local terms energy: -133.964924
where:
bonds (distance) C4'-P energy: -28.859
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: -33.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -390.532755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.532755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.532755 (E_RNA)
where:
Base-Base interactions energy: -263.252
where: short stacking energy: -121.213
Base-Backbone interact. energy: -0.827
local terms energy: -126.453424
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -34.477
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -28.374
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: 134
Temperature: 1.250000
Total energy: -167.993637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.993637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.993637 (E_RNA)
where:
Base-Base interactions energy: -76.782
where: short stacking energy: -73.562
Base-Backbone interact. energy: 0.330
local terms energy: -91.542372
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -27.717
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -178.632214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.632214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.632214 (E_RNA)
where:
Base-Base interactions energy: -92.266
where: short stacking energy: -48.556
Base-Backbone interact. energy: 1.573
local terms energy: -87.939192
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -29.705
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: 1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -155.138462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.138462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.138462 (E_RNA)
where:
Base-Base interactions energy: -50.781
where: short stacking energy: -48.625
Base-Backbone interact. energy: -0.476
local terms energy: -103.882102
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -26.602
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -7.105
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: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -541.655468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.655468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.655468 (E_RNA)
where:
Base-Base interactions energy: -363.822
where: short stacking energy: -180.325
Base-Backbone interact. energy: -0.332
local terms energy: -177.501236
where:
bonds (distance) C4'-P energy: -36.089
bonds (distance) P-C4' energy: -29.189
flat angles C4'-P-C4' energy: -37.995
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -50.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -553.553146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.553146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.553146 (E_RNA)
where:
Base-Base interactions energy: -382.908
where: short stacking energy: -168.599
Base-Backbone interact. energy: -0.541
local terms energy: -170.104301
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -35.578
flat angles C4'-P-C4' energy: -38.269
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -45.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -507.547401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.547401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.547401 (E_RNA)
where:
Base-Base interactions energy: -341.736
where: short stacking energy: -163.463
Base-Backbone interact. energy: -0.631
local terms energy: -165.180555
where:
bonds (distance) C4'-P energy: -35.906
bonds (distance) P-C4' energy: -27.285
flat angles C4'-P-C4' energy: -32.867
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -46.903
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: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -419.360368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.360368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.360368 (E_RNA)
where:
Base-Base interactions energy: -287.357
where: short stacking energy: -136.665
Base-Backbone interact. energy: -0.796
local terms energy: -131.206521
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -28.168
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -28.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -454.859291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.859291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.859291 (E_RNA)
where:
Base-Base interactions energy: -302.774
where: short stacking energy: -148.786
Base-Backbone interact. energy: -1.425
local terms energy: -150.659611
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -33.557
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -37.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -429.439366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.439366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.439366 (E_RNA)
where:
Base-Base interactions energy: -282.624
where: short stacking energy: -138.136
Base-Backbone interact. energy: 2.582
local terms energy: -149.397355
where:
bonds (distance) C4'-P energy: -29.453
bonds (distance) P-C4' energy: -31.160
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -34.525
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: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -310.780696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.780696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.780696 (E_RNA)
where:
Base-Base interactions energy: -196.688
where: short stacking energy: -80.582
Base-Backbone interact. energy: 0.035
local terms energy: -114.127663
where:
bonds (distance) C4'-P energy: -30.359
bonds (distance) P-C4' energy: -32.682
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -186.268353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.268353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.268353 (E_RNA)
where:
Base-Base interactions energy: -82.187
where: short stacking energy: -75.691
Base-Backbone interact. energy: -0.190
local terms energy: -103.891286
where:
bonds (distance) C4'-P energy: -25.039
bonds (distance) P-C4' energy: -33.744
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -5.646
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: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -165.209784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.209784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.209784 (E_RNA)
where:
Base-Base interactions energy: -73.582
where: short stacking energy: -49.383
Base-Backbone interact. energy: 0.238
local terms energy: -91.866546
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -28.642
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -0.244
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: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -160.117388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.117388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.117388 (E_RNA)
where:
Base-Base interactions energy: -67.409
where: short stacking energy: -66.942
Base-Backbone interact. energy: 0.067
local terms energy: -92.775311
where:
bonds (distance) C4'-P energy: -26.070
bonds (distance) P-C4' energy: -30.596
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -12.096
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: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -557.734280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.734280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.734280 (E_RNA)
where:
Base-Base interactions energy: -386.984
where: short stacking energy: -164.043
Base-Backbone interact. energy: -0.238
local terms energy: -170.511518
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -33.820
flat angles C4'-P-C4' energy: -38.005
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -43.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -530.766274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.766274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.766274 (E_RNA)
where:
Base-Base interactions energy: -359.627
where: short stacking energy: -171.719
Base-Backbone interact. energy: 0.252
local terms energy: -171.391468
where:
bonds (distance) C4'-P energy: -34.366
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -36.045
flat angles P-C4'-P energy: -26.807
tors. eta vs tors. theta energy: -46.989
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: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -510.200044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.200044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.200044 (E_RNA)
where:
Base-Base interactions energy: -333.272
where: short stacking energy: -160.013
Base-Backbone interact. energy: -0.463
local terms energy: -176.465798
where:
bonds (distance) C4'-P energy: -31.944
bonds (distance) P-C4' energy: -34.126
flat angles C4'-P-C4' energy: -38.114
flat angles P-C4'-P energy: -23.925
tors. eta vs tors. theta energy: -48.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -438.315770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.315770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.315770 (E_RNA)
where:
Base-Base interactions energy: -286.284
where: short stacking energy: -146.634
Base-Backbone interact. energy: -0.490
local terms energy: -151.540988
where:
bonds (distance) C4'-P energy: -30.168
bonds (distance) P-C4' energy: -29.275
flat angles C4'-P-C4' energy: -34.003
flat angles P-C4'-P energy: -23.925
tors. eta vs tors. theta energy: -34.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -456.935221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.935221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.935221 (E_RNA)
where:
Base-Base interactions energy: -323.411
where: short stacking energy: -138.218
Base-Backbone interact. energy: -2.328
local terms energy: -131.196444
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -33.242
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -37.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -420.006759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.006759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.006759 (E_RNA)
where:
Base-Base interactions energy: -274.947
where: short stacking energy: -149.003
Base-Backbone interact. energy: -1.471
local terms energy: -143.588933
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -32.460
flat angles C4'-P-C4' energy: -27.841
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -42.357
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: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -330.394433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.394433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.394433 (E_RNA)
where:
Base-Base interactions energy: -203.852
where: short stacking energy: -104.840
Base-Backbone interact. energy: 0.304
local terms energy: -126.846789
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -33.903
flat angles C4'-P-C4' energy: -27.858
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -23.210
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: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -185.607054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.607054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.607054 (E_RNA)
where:
Base-Base interactions energy: -83.129
where: short stacking energy: -74.115
Base-Backbone interact. energy: -0.735
local terms energy: -101.742152
where:
bonds (distance) C4'-P energy: -25.859
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -176.382953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.382953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.382953 (E_RNA)
where:
Base-Base interactions energy: -76.048
where: short stacking energy: -73.845
Base-Backbone interact. energy: 0.743
local terms energy: -101.077874
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -30.515
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -181.577535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.577535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.577535 (E_RNA)
where:
Base-Base interactions energy: -75.970
where: short stacking energy: -56.945
Base-Backbone interact. energy: -0.221
local terms energy: -105.386892
where:
bonds (distance) C4'-P energy: -30.258
bonds (distance) P-C4' energy: -31.330
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -568.741190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.741190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.741190 (E_RNA)
where:
Base-Base interactions energy: -387.663
where: short stacking energy: -171.782
Base-Backbone interact. energy: -0.298
local terms energy: -180.780246
where:
bonds (distance) C4'-P energy: -33.185
bonds (distance) P-C4' energy: -36.980
flat angles C4'-P-C4' energy: -38.502
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -44.804
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: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -539.545130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.545130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.545130 (E_RNA)
where:
Base-Base interactions energy: -360.294
where: short stacking energy: -173.669
Base-Backbone interact. energy: 0.826
local terms energy: -180.077051
where:
bonds (distance) C4'-P energy: -31.418
bonds (distance) P-C4' energy: -37.284
flat angles C4'-P-C4' energy: -34.336
flat angles P-C4'-P energy: -25.147
tors. eta vs tors. theta energy: -51.891
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: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -516.782661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.782661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.782661 (E_RNA)
where:
Base-Base interactions energy: -356.329
where: short stacking energy: -163.598
Base-Backbone interact. energy: -0.220
local terms energy: -160.233155
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -34.180
flat angles C4'-P-C4' energy: -33.540
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -47.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -478.315379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.315379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.315379 (E_RNA)
where:
Base-Base interactions energy: -321.491
where: short stacking energy: -141.809
Base-Backbone interact. energy: -1.920
local terms energy: -154.904419
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -29.645
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -41.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -421.149395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.149395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.149395 (E_RNA)
where:
Base-Base interactions energy: -272.361
where: short stacking energy: -125.078
Base-Backbone interact. energy: -0.471
local terms energy: -148.317513
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -35.192
flat angles C4'-P-C4' energy: -30.940
flat angles P-C4'-P energy: -20.775
tors. eta vs tors. theta energy: -32.534
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: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -417.677293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.677293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.677293 (E_RNA)
where:
Base-Base interactions energy: -273.012
where: short stacking energy: -132.563
Base-Backbone interact. energy: -0.263
local terms energy: -144.401496
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -32.131
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -42.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -299.888865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.888865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.888865 (E_RNA)
where:
Base-Base interactions energy: -190.180
where: short stacking energy: -114.629
Base-Backbone interact. energy: -1.949
local terms energy: -107.760020
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -20.833
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: 137
Temperature: 1.250000
Total energy: -173.158018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.158018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.158018 (E_RNA)
where:
Base-Base interactions energy: -82.181
where: short stacking energy: -53.402
Base-Backbone interact. energy: 1.233
local terms energy: -92.209531
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -32.534
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -174.161459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.161459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.161459 (E_RNA)
where:
Base-Base interactions energy: -77.497
where: short stacking energy: -71.690
Base-Backbone interact. energy: 0.378
local terms energy: -97.043054
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -9.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -184.214079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.214079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.214079 (E_RNA)
where:
Base-Base interactions energy: -82.938
where: short stacking energy: -70.784
Base-Backbone interact. energy: -0.371
local terms energy: -100.905595
where:
bonds (distance) C4'-P energy: -34.946
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -10.522
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: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -565.314317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.314317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.314317 (E_RNA)
where:
Base-Base interactions energy: -382.849
where: short stacking energy: -166.920
Base-Backbone interact. energy: -0.717
local terms energy: -181.748203
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -38.384
flat angles C4'-P-C4' energy: -39.521
flat angles P-C4'-P energy: -28.214
tors. eta vs tors. theta energy: -46.956
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: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -530.854386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.854386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.854386 (E_RNA)
where:
Base-Base interactions energy: -359.625
where: short stacking energy: -184.661
Base-Backbone interact. energy: -0.496
local terms energy: -170.733542
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -31.691
flat angles C4'-P-C4' energy: -35.636
flat angles P-C4'-P energy: -26.756
tors. eta vs tors. theta energy: -50.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -507.598205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.598205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.598205 (E_RNA)
where:
Base-Base interactions energy: -347.761
where: short stacking energy: -169.646
Base-Backbone interact. energy: -0.353
local terms energy: -159.484273
where:
bonds (distance) C4'-P energy: -29.594
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -37.449
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -44.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -467.675870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.675870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.675870 (E_RNA)
where:
Base-Base interactions energy: -316.878
where: short stacking energy: -144.489
Base-Backbone interact. energy: -1.446
local terms energy: -149.351429
where:
bonds (distance) C4'-P energy: -31.447
bonds (distance) P-C4' energy: -24.857
flat angles C4'-P-C4' energy: -32.498
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -39.358
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: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -449.833018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.833018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.833018 (E_RNA)
where:
Base-Base interactions energy: -295.006
where: short stacking energy: -144.460
Base-Backbone interact. energy: 0.235
local terms energy: -155.061979
where:
bonds (distance) C4'-P energy: -29.625
bonds (distance) P-C4' energy: -30.590
flat angles C4'-P-C4' energy: -31.383
flat angles P-C4'-P energy: -23.632
tors. eta vs tors. theta energy: -39.832
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: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -417.998259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.998259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.998259 (E_RNA)
where:
Base-Base interactions energy: -276.197
where: short stacking energy: -131.215
Base-Backbone interact. energy: -0.889
local terms energy: -140.912820
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -35.958
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -33.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -328.388798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.388798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.388798 (E_RNA)
where:
Base-Base interactions energy: -196.990
where: short stacking energy: -101.477
Base-Backbone interact. energy: -0.682
local terms energy: -130.717092
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -27.890
flat angles C4'-P-C4' energy: -35.733
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -22.111
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: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -189.974309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.974309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.974309 (E_RNA)
where:
Base-Base interactions energy: -89.927
where: short stacking energy: -58.811
Base-Backbone interact. energy: 2.521
local terms energy: -102.568550
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -3.366
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: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -171.167430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.167430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.167430 (E_RNA)
where:
Base-Base interactions energy: -75.014
where: short stacking energy: -69.542
Base-Backbone interact. energy: -0.218
local terms energy: -95.935335
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -29.356
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -183.098073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.098073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.098073 (E_RNA)
where:
Base-Base interactions energy: -79.788
where: short stacking energy: -47.807
Base-Backbone interact. energy: -1.191
local terms energy: -102.119231
where:
bonds (distance) C4'-P energy: -30.169
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: 1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -574.685854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.685854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.685854 (E_RNA)
where:
Base-Base interactions energy: -398.376
where: short stacking energy: -179.408
Base-Backbone interact. energy: 0.153
local terms energy: -176.462964
where:
bonds (distance) C4'-P energy: -31.016
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -41.208
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: -46.000
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: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -532.703209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.703209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.703209 (E_RNA)
where:
Base-Base interactions energy: -351.704
where: short stacking energy: -175.149
Base-Backbone interact. energy: -0.680
local terms energy: -180.319019
where:
bonds (distance) C4'-P energy: -28.807
bonds (distance) P-C4' energy: -34.144
flat angles C4'-P-C4' energy: -38.868
flat angles P-C4'-P energy: -24.363
tors. eta vs tors. theta energy: -54.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -503.203095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.203095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.203095 (E_RNA)
where:
Base-Base interactions energy: -333.493
where: short stacking energy: -160.723
Base-Backbone interact. energy: -1.415
local terms energy: -168.295444
where:
bonds (distance) C4'-P energy: -34.285
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -33.942
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -50.013
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: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -469.070138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.070138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.070138 (E_RNA)
where:
Base-Base interactions energy: -309.902
where: short stacking energy: -164.662
Base-Backbone interact. energy: -0.356
local terms energy: -158.811662
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -35.205
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -45.960
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: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -456.162095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.162095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.162095 (E_RNA)
where:
Base-Base interactions energy: -316.403
where: short stacking energy: -148.434
Base-Backbone interact. energy: -0.987
local terms energy: -138.771865
where:
bonds (distance) C4'-P energy: -29.480
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -29.087
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -33.816
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: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -410.954725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.954725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.954725 (E_RNA)
where:
Base-Base interactions energy: -264.228
where: short stacking energy: -148.101
Base-Backbone interact. energy: -1.091
local terms energy: -145.635377
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -30.579
flat angles P-C4'-P energy: -24.748
tors. eta vs tors. theta energy: -35.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -355.672035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.672035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.672035 (E_RNA)
where:
Base-Base interactions energy: -214.502
where: short stacking energy: -105.139
Base-Backbone interact. energy: -0.810
local terms energy: -140.360467
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -26.952
flat angles P-C4'-P energy: -23.536
tors. eta vs tors. theta energy: -23.645
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: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -211.651886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.651886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.651886 (E_RNA)
where:
Base-Base interactions energy: -112.714
where: short stacking energy: -58.242
Base-Backbone interact. energy: -1.088
local terms energy: -97.850110
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -33.678
flat angles C4'-P-C4' energy: -28.192
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -3.519
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: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -212.201592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.201592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.201592 (E_RNA)
where:
Base-Base interactions energy: -106.747
where: short stacking energy: -73.806
Base-Backbone interact. energy: -0.673
local terms energy: -104.782188
where:
bonds (distance) C4'-P energy: -29.042
bonds (distance) P-C4' energy: -28.065
flat angles C4'-P-C4' energy: -29.475
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -169.384487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.384487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.384487 (E_RNA)
where:
Base-Base interactions energy: -83.519
where: short stacking energy: -71.435
Base-Backbone interact. energy: 3.119
local terms energy: -88.984518
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -25.784
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -564.587094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.587094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.587094 (E_RNA)
where:
Base-Base interactions energy: -392.018
where: short stacking energy: -170.602
Base-Backbone interact. energy: -0.074
local terms energy: -172.495857
where:
bonds (distance) C4'-P energy: -33.308
bonds (distance) P-C4' energy: -33.318
flat angles C4'-P-C4' energy: -35.153
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -44.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -539.757719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.757719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.757719 (E_RNA)
where:
Base-Base interactions energy: -366.626
where: short stacking energy: -179.192
Base-Backbone interact. energy: -0.342
local terms energy: -172.790437
where:
bonds (distance) C4'-P energy: -21.884
bonds (distance) P-C4' energy: -34.290
flat angles C4'-P-C4' energy: -39.468
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -53.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -516.785769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.785769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.785769 (E_RNA)
where:
Base-Base interactions energy: -355.496
where: short stacking energy: -158.600
Base-Backbone interact. energy: 0.332
local terms energy: -161.621737
where:
bonds (distance) C4'-P energy: -33.786
bonds (distance) P-C4' energy: -30.462
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -44.693
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: 140
Temperature: 1.050000
Total energy: -452.780875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.780875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.780875 (E_RNA)
where:
Base-Base interactions energy: -293.954
where: short stacking energy: -152.263
Base-Backbone interact. energy: -0.463
local terms energy: -158.364042
where:
bonds (distance) C4'-P energy: -32.300
bonds (distance) P-C4' energy: -33.495
flat angles C4'-P-C4' energy: -27.482
flat angles P-C4'-P energy: -23.319
tors. eta vs tors. theta energy: -41.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -447.631705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.631705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.631705 (E_RNA)
where:
Base-Base interactions energy: -296.433
where: short stacking energy: -137.816
Base-Backbone interact. energy: 0.282
local terms energy: -151.481021
where:
bonds (distance) C4'-P energy: -32.465
bonds (distance) P-C4' energy: -29.898
flat angles C4'-P-C4' energy: -31.500
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -42.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -351.751175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.751175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.751175 (E_RNA)
where:
Base-Base interactions energy: -230.601
where: short stacking energy: -118.781
Base-Backbone interact. energy: -0.408
local terms energy: -120.742224
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -30.463
flat angles C4'-P-C4' energy: -31.198
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -19.411
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: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -329.750607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.750607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.750607 (E_RNA)
where:
Base-Base interactions energy: -199.092
where: short stacking energy: -114.467
Base-Backbone interact. energy: 2.072
local terms energy: -132.730995
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -34.296
flat angles C4'-P-C4' energy: -31.848
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -236.859571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.859571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.859571 (E_RNA)
where:
Base-Base interactions energy: -121.832
where: short stacking energy: -77.698
Base-Backbone interact. energy: -0.260
local terms energy: -114.767443
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -29.765
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -20.288
tors. eta vs tors. theta energy: -13.629
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: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -184.331789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.331789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.331789 (E_RNA)
where:
Base-Base interactions energy: -95.790
where: short stacking energy: -68.418
Base-Backbone interact. energy: 4.008
local terms energy: -92.549740
where:
bonds (distance) C4'-P energy: -33.036
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -162.371675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.371675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.371675 (E_RNA)
where:
Base-Base interactions energy: -57.536
where: short stacking energy: -47.603
Base-Backbone interact. energy: 0.781
local terms energy: -105.615835
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -37.343
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -563.167888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.167888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.167888 (E_RNA)
where:
Base-Base interactions energy: -396.510
where: short stacking energy: -182.262
Base-Backbone interact. energy: -0.399
local terms energy: -166.258270
where:
bonds (distance) C4'-P energy: -26.837
bonds (distance) P-C4' energy: -26.466
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -49.885
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: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -538.013604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.013604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.013604 (E_RNA)
where:
Base-Base interactions energy: -357.008
where: short stacking energy: -177.324
Base-Backbone interact. energy: -0.283
local terms energy: -180.722868
where:
bonds (distance) C4'-P energy: -33.819
bonds (distance) P-C4' energy: -32.042
flat angles C4'-P-C4' energy: -39.477
flat angles P-C4'-P energy: -28.501
tors. eta vs tors. theta energy: -46.884
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: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -517.494937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.494937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.494937 (E_RNA)
where:
Base-Base interactions energy: -341.734
where: short stacking energy: -171.668
Base-Backbone interact. energy: 0.455
local terms energy: -176.216244
where:
bonds (distance) C4'-P energy: -31.476
bonds (distance) P-C4' energy: -31.562
flat angles C4'-P-C4' energy: -37.985
flat angles P-C4'-P energy: -25.434
tors. eta vs tors. theta energy: -49.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -459.440205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.440205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.440205 (E_RNA)
where:
Base-Base interactions energy: -299.068
where: short stacking energy: -139.480
Base-Backbone interact. energy: -1.420
local terms energy: -158.952658
where:
bonds (distance) C4'-P energy: -33.068
bonds (distance) P-C4' energy: -27.169
flat angles C4'-P-C4' energy: -37.254
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -38.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -469.636847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.636847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.636847 (E_RNA)
where:
Base-Base interactions energy: -306.506
where: short stacking energy: -162.958
Base-Backbone interact. energy: -2.335
local terms energy: -160.795372
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -30.825
flat angles C4'-P-C4' energy: -33.128
flat angles P-C4'-P energy: -20.431
tors. eta vs tors. theta energy: -43.564
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: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -362.465741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.465741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.465741 (E_RNA)
where:
Base-Base interactions energy: -233.079
where: short stacking energy: -121.570
Base-Backbone interact. energy: -0.394
local terms energy: -128.992253
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -29.799
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -26.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -354.813709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.813709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.813709 (E_RNA)
where:
Base-Base interactions energy: -221.066
where: short stacking energy: -125.481
Base-Backbone interact. energy: 0.606
local terms energy: -134.353676
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -25.874
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: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -234.070613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.070613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.070613 (E_RNA)
where:
Base-Base interactions energy: -124.092
where: short stacking energy: -70.340
Base-Backbone interact. energy: 0.317
local terms energy: -110.295848
where:
bonds (distance) C4'-P energy: -28.794
bonds (distance) P-C4' energy: -32.528
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -160.411217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.411217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.411217 (E_RNA)
where:
Base-Base interactions energy: -71.423
where: short stacking energy: -65.165
Base-Backbone interact. energy: 0.240
local terms energy: -89.228662
where:
bonds (distance) C4'-P energy: -30.267
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -7.330
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: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -154.225893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.225893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.225893 (E_RNA)
where:
Base-Base interactions energy: -53.626
where: short stacking energy: -43.764
Base-Backbone interact. energy: -0.605
local terms energy: -99.995543
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -32.215
flat angles C4'-P-C4' energy: -26.140
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: 0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -562.669714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.669714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.669714 (E_RNA)
where:
Base-Base interactions energy: -391.000
where: short stacking energy: -167.156
Base-Backbone interact. energy: -0.797
local terms energy: -170.873034
where:
bonds (distance) C4'-P energy: -36.574
bonds (distance) P-C4' energy: -33.978
flat angles C4'-P-C4' energy: -31.038
flat angles P-C4'-P energy: -21.154
tors. eta vs tors. theta energy: -48.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -536.097561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.097561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.097561 (E_RNA)
where:
Base-Base interactions energy: -355.480
where: short stacking energy: -169.825
Base-Backbone interact. energy: -0.498
local terms energy: -180.119926
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -37.354
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -51.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -530.244618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.244618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.244618 (E_RNA)
where:
Base-Base interactions energy: -362.526
where: short stacking energy: -163.899
Base-Backbone interact. energy: -0.018
local terms energy: -167.700731
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -32.809
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -25.004
tors. eta vs tors. theta energy: -46.010
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: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -471.302968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.302968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.302968 (E_RNA)
where:
Base-Base interactions energy: -310.014
where: short stacking energy: -145.457
Base-Backbone interact. energy: -0.230
local terms energy: -161.059275
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -36.462
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -37.995
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: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -444.553449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.553449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.553449 (E_RNA)
where:
Base-Base interactions energy: -304.382
where: short stacking energy: -159.908
Base-Backbone interact. energy: 0.016
local terms energy: -140.186729
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -28.386
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -47.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -357.640421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.640421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.640421 (E_RNA)
where:
Base-Base interactions energy: -224.489
where: short stacking energy: -102.956
Base-Backbone interact. energy: -1.087
local terms energy: -132.064514
where:
bonds (distance) C4'-P energy: -32.030
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -28.950
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -337.582512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.582512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.582512 (E_RNA)
where:
Base-Base interactions energy: -209.772
where: short stacking energy: -99.406
Base-Backbone interact. energy: 0.403
local terms energy: -128.212823
where:
bonds (distance) C4'-P energy: -29.666
bonds (distance) P-C4' energy: -28.560
flat angles C4'-P-C4' energy: -31.739
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -248.191099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.191099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.191099 (E_RNA)
where:
Base-Base interactions energy: -127.460
where: short stacking energy: -84.374
Base-Backbone interact. energy: -0.830
local terms energy: -119.900949
where:
bonds (distance) C4'-P energy: -30.301
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -35.066
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -165.878809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.878809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.878809 (E_RNA)
where:
Base-Base interactions energy: -74.317
where: short stacking energy: -70.552
Base-Backbone interact. energy: 0.468
local terms energy: -92.030425
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -31.382
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -204.409411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.409411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.409411 (E_RNA)
where:
Base-Base interactions energy: -102.914
where: short stacking energy: -59.058
Base-Backbone interact. energy: 6.985
local terms energy: -108.480040
where:
bonds (distance) C4'-P energy: -31.295
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -564.269014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.269014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.269014 (E_RNA)
where:
Base-Base interactions energy: -392.620
where: short stacking energy: -164.163
Base-Backbone interact. energy: -0.359
local terms energy: -171.290152
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -34.391
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -48.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -539.666625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.666625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.666625 (E_RNA)
where:
Base-Base interactions energy: -360.594
where: short stacking energy: -184.063
Base-Backbone interact. energy: -0.038
local terms energy: -179.034748
where:
bonds (distance) C4'-P energy: -32.587
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -54.656
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: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -502.957959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.957959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.957959 (E_RNA)
where:
Base-Base interactions energy: -340.011
where: short stacking energy: -172.182
Base-Backbone interact. energy: -2.447
local terms energy: -160.500594
where:
bonds (distance) C4'-P energy: -28.877
bonds (distance) P-C4' energy: -34.967
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -48.076
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: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -455.384587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.384587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.384587 (E_RNA)
where:
Base-Base interactions energy: -296.914
where: short stacking energy: -140.451
Base-Backbone interact. energy: -1.804
local terms energy: -156.666382
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -31.249
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -25.225
tors. eta vs tors. theta energy: -34.571
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: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -436.844006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.844006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.844006 (E_RNA)
where:
Base-Base interactions energy: -291.343
where: short stacking energy: -143.202
Base-Backbone interact. energy: -0.178
local terms energy: -145.323077
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -29.142
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -40.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -368.664668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.664668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.664668 (E_RNA)
where:
Base-Base interactions energy: -236.086
where: short stacking energy: -133.145
Base-Backbone interact. energy: 2.776
local terms energy: -135.355167
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -26.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -315.357740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.357740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.357740 (E_RNA)
where:
Base-Base interactions energy: -193.350
where: short stacking energy: -92.520
Base-Backbone interact. energy: 0.068
local terms energy: -122.075499
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -14.345
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: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -263.046149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.046149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.046149 (E_RNA)
where:
Base-Base interactions energy: -155.828
where: short stacking energy: -87.554
Base-Backbone interact. energy: -0.778
local terms energy: -106.439248
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -29.993
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -22.434
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -165.974461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.974461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.974461 (E_RNA)
where:
Base-Base interactions energy: -70.618
where: short stacking energy: -52.190
Base-Backbone interact. energy: -0.480
local terms energy: -94.876953
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -2.176
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: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -159.181916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.181916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.181916 (E_RNA)
where:
Base-Base interactions energy: -69.745
where: short stacking energy: -39.523
Base-Backbone interact. energy: 1.805
local terms energy: -91.241658
where:
bonds (distance) C4'-P energy: -32.722
bonds (distance) P-C4' energy: -29.475
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: 10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -560.900679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.900679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.900679 (E_RNA)
where:
Base-Base interactions energy: -390.749
where: short stacking energy: -175.875
Base-Backbone interact. energy: -0.813
local terms energy: -169.338687
where:
bonds (distance) C4'-P energy: -30.997
bonds (distance) P-C4' energy: -31.535
flat angles C4'-P-C4' energy: -37.813
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: -42.615
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: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -540.750249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.750249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.750249 (E_RNA)
where:
Base-Base interactions energy: -362.281
where: short stacking energy: -178.346
Base-Backbone interact. energy: 1.650
local terms energy: -180.119056
where:
bonds (distance) C4'-P energy: -36.351
bonds (distance) P-C4' energy: -37.661
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -50.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -520.643905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.643905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.643905 (E_RNA)
where:
Base-Base interactions energy: -346.931
where: short stacking energy: -167.903
Base-Backbone interact. energy: -1.465
local terms energy: -172.247560
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -33.516
flat angles C4'-P-C4' energy: -36.808
flat angles P-C4'-P energy: -24.745
tors. eta vs tors. theta energy: -45.474
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: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -462.904982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.904982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.904982 (E_RNA)
where:
Base-Base interactions energy: -313.406
where: short stacking energy: -132.079
Base-Backbone interact. energy: -0.600
local terms energy: -148.898954
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -35.422
flat angles P-C4'-P energy: -24.784
tors. eta vs tors. theta energy: -30.578
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: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -437.864390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.864390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.864390 (E_RNA)
where:
Base-Base interactions energy: -289.300
where: short stacking energy: -143.824
Base-Backbone interact. energy: -0.455
local terms energy: -148.109159
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -32.156
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -36.965
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: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -364.079404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.079404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.079404 (E_RNA)
where:
Base-Base interactions energy: -236.237
where: short stacking energy: -123.239
Base-Backbone interact. energy: -0.339
local terms energy: -127.503176
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -25.652
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -22.086
tors. eta vs tors. theta energy: -24.555
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: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -273.444589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.444589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.444589 (E_RNA)
where:
Base-Base interactions energy: -151.530
where: short stacking energy: -91.707
Base-Backbone interact. energy: -0.618
local terms energy: -121.297207
where:
bonds (distance) C4'-P energy: -32.796
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -24.476
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -20.134
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: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -264.482543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.482543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.482543 (E_RNA)
where:
Base-Base interactions energy: -141.171
where: short stacking energy: -85.169
Base-Backbone interact. energy: -0.164
local terms energy: -123.147847
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -32.896
flat angles C4'-P-C4' energy: -29.472
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -198.380917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.380917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.380917 (E_RNA)
where:
Base-Base interactions energy: -93.303
where: short stacking energy: -67.761
Base-Backbone interact. energy: -0.502
local terms energy: -104.575701
where:
bonds (distance) C4'-P energy: -18.890
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -10.317
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: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -199.688145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.688145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.688145 (E_RNA)
where:
Base-Base interactions energy: -98.369
where: short stacking energy: -73.110
Base-Backbone interact. energy: -0.812
local terms energy: -100.507683
where:
bonds (distance) C4'-P energy: -29.769
bonds (distance) P-C4' energy: -33.237
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -3.386
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: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -552.390481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.390481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.390481 (E_RNA)
where:
Base-Base interactions energy: -384.750
where: short stacking energy: -162.298
Base-Backbone interact. energy: -0.932
local terms energy: -166.708845
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -23.433
tors. eta vs tors. theta energy: -47.169
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: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -528.770328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.770328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.770328 (E_RNA)
where:
Base-Base interactions energy: -363.904
where: short stacking energy: -171.952
Base-Backbone interact. energy: -0.252
local terms energy: -164.613821
where:
bonds (distance) C4'-P energy: -28.099
bonds (distance) P-C4' energy: -33.751
flat angles C4'-P-C4' energy: -35.586
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: -42.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -529.451106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.451106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.451106 (E_RNA)
where:
Base-Base interactions energy: -362.952
where: short stacking energy: -172.234
Base-Backbone interact. energy: -1.419
local terms energy: -165.079489
where:
bonds (distance) C4'-P energy: -27.875
bonds (distance) P-C4' energy: -30.948
flat angles C4'-P-C4' energy: -36.646
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -48.823
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: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -466.832281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.832281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.832281 (E_RNA)
where:
Base-Base interactions energy: -305.137
where: short stacking energy: -155.010
Base-Backbone interact. energy: -0.021
local terms energy: -161.673716
where:
bonds (distance) C4'-P energy: -34.648
bonds (distance) P-C4' energy: -29.062
flat angles C4'-P-C4' energy: -33.060
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -43.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -442.884960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.884960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.884960 (E_RNA)
where:
Base-Base interactions energy: -293.906
where: short stacking energy: -135.481
Base-Backbone interact. energy: -0.896
local terms energy: -148.083045
where:
bonds (distance) C4'-P energy: -28.343
bonds (distance) P-C4' energy: -31.476
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: -34.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -286.568022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.568022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.568022 (E_RNA)
where:
Base-Base interactions energy: -164.305
where: short stacking energy: -92.736
Base-Backbone interact. energy: 0.019
local terms energy: -122.282457
where:
bonds (distance) C4'-P energy: -32.110
bonds (distance) P-C4' energy: -31.453
flat angles C4'-P-C4' energy: -25.765
flat angles P-C4'-P energy: -18.763
tors. eta vs tors. theta energy: -14.191
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: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -351.876402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.876402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.876402 (E_RNA)
where:
Base-Base interactions energy: -221.565
where: short stacking energy: -108.898
Base-Backbone interact. energy: 1.718
local terms energy: -132.029369
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -32.967
flat angles C4'-P-C4' energy: -29.508
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -26.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -270.616687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.616687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.616687 (E_RNA)
where:
Base-Base interactions energy: -157.128
where: short stacking energy: -89.778
Base-Backbone interact. energy: -0.389
local terms energy: -113.100278
where:
bonds (distance) C4'-P energy: -28.352
bonds (distance) P-C4' energy: -34.578
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -176.571890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.571890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.571890 (E_RNA)
where:
Base-Base interactions energy: -83.981
where: short stacking energy: -56.823
Base-Backbone interact. energy: -0.480
local terms energy: -92.111546
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -192.309521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.309521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.309521 (E_RNA)
where:
Base-Base interactions energy: -102.064
where: short stacking energy: -59.624
Base-Backbone interact. energy: -1.386
local terms energy: -88.859825
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -5.971
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: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -534.927040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.927040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.927040 (E_RNA)
where:
Base-Base interactions energy: -362.998
where: short stacking energy: -173.415
Base-Backbone interact. energy: -0.047
local terms energy: -171.882189
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -33.562
flat angles C4'-P-C4' energy: -36.560
flat angles P-C4'-P energy: -24.426
tors. eta vs tors. theta energy: -44.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -548.820282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.820282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.820282 (E_RNA)
where:
Base-Base interactions energy: -383.063
where: short stacking energy: -167.589
Base-Backbone interact. energy: -0.140
local terms energy: -165.617004
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -30.160
flat angles C4'-P-C4' energy: -36.806
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -49.001
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: 4
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -518.338830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.338830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.338830 (E_RNA)
where:
Base-Base interactions energy: -357.014
where: short stacking energy: -165.289
Base-Backbone interact. energy: -0.606
local terms energy: -160.717936
where:
bonds (distance) C4'-P energy: -27.793
bonds (distance) P-C4' energy: -34.088
flat angles C4'-P-C4' energy: -35.021
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -46.570
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: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -461.963040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.963040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.963040 (E_RNA)
where:
Base-Base interactions energy: -297.923
where: short stacking energy: -154.104
Base-Backbone interact. energy: -0.776
local terms energy: -163.263785
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -22.363
tors. eta vs tors. theta energy: -41.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -455.964059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.964059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.964059 (E_RNA)
where:
Base-Base interactions energy: -299.300
where: short stacking energy: -137.442
Base-Backbone interact. energy: -0.650
local terms energy: -156.014462
where:
bonds (distance) C4'-P energy: -33.051
bonds (distance) P-C4' energy: -30.470
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -24.988
tors. eta vs tors. theta energy: -34.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -300.313808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.313808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.313808 (E_RNA)
where:
Base-Base interactions energy: -181.707
where: short stacking energy: -107.862
Base-Backbone interact. energy: -1.200
local terms energy: -117.406219
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -29.348
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -20.205
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: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -288.200828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.200828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.200828 (E_RNA)
where:
Base-Base interactions energy: -170.081
where: short stacking energy: -109.312
Base-Backbone interact. energy: -0.502
local terms energy: -117.618000
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -16.789
tors. eta vs tors. theta energy: -21.685
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: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -328.755886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.755886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.755886 (E_RNA)
where:
Base-Base interactions energy: -201.754
where: short stacking energy: -104.000
Base-Backbone interact. energy: -0.489
local terms energy: -126.513307
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -26.561
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -26.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -172.688678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.688678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.688678 (E_RNA)
where:
Base-Base interactions energy: -86.341
where: short stacking energy: -47.413
Base-Backbone interact. energy: -0.316
local terms energy: -86.032063
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -176.998406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.998406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.998406 (E_RNA)
where:
Base-Base interactions energy: -85.921
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.373
local terms energy: -90.703679
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -542.441148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.441148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.441148 (E_RNA)
where:
Base-Base interactions energy: -359.688
where: short stacking energy: -166.066
Base-Backbone interact. energy: -0.807
local terms energy: -181.946112
where:
bonds (distance) C4'-P energy: -33.113
bonds (distance) P-C4' energy: -37.492
flat angles C4'-P-C4' energy: -35.296
flat angles P-C4'-P energy: -30.353
tors. eta vs tors. theta energy: -45.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -546.178457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.178457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.178457 (E_RNA)
where:
Base-Base interactions energy: -383.433
where: short stacking energy: -180.386
Base-Backbone interact. energy: 0.894
local terms energy: -163.639297
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -30.352
flat angles C4'-P-C4' energy: -34.120
flat angles P-C4'-P energy: -23.818
tors. eta vs tors. theta energy: -52.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -524.890445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.890445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.890445 (E_RNA)
where:
Base-Base interactions energy: -343.667
where: short stacking energy: -164.007
Base-Backbone interact. energy: -0.298
local terms energy: -180.925405
where:
bonds (distance) C4'-P energy: -34.425
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -31.861
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -50.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -459.838818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.838818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.838818 (E_RNA)
where:
Base-Base interactions energy: -308.913
where: short stacking energy: -155.798
Base-Backbone interact. energy: -0.314
local terms energy: -150.611202
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -35.291
flat angles C4'-P-C4' energy: -34.255
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -35.511
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: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -440.284125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.284125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.284125 (E_RNA)
where:
Base-Base interactions energy: -286.927
where: short stacking energy: -134.278
Base-Backbone interact. energy: -0.700
local terms energy: -152.657100
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -39.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -339.702992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.702992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.702992 (E_RNA)
where:
Base-Base interactions energy: -197.176
where: short stacking energy: -123.510
Base-Backbone interact. energy: -0.330
local terms energy: -142.196853
where:
bonds (distance) C4'-P energy: -29.840
bonds (distance) P-C4' energy: -31.640
flat angles C4'-P-C4' energy: -34.678
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -29.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -359.335296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.335296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.335296 (E_RNA)
where:
Base-Base interactions energy: -223.616
where: short stacking energy: -121.448
Base-Backbone interact. energy: -0.270
local terms energy: -135.450055
where:
bonds (distance) C4'-P energy: -28.215
bonds (distance) P-C4' energy: -30.775
flat angles C4'-P-C4' energy: -31.370
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -28.056
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: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -334.727430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.727430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.727430 (E_RNA)
where:
Base-Base interactions energy: -214.431
where: short stacking energy: -105.107
Base-Backbone interact. energy: 0.540
local terms energy: -120.836799
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -30.445
flat angles C4'-P-C4' energy: -26.235
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -24.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -178.393310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.393310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.393310 (E_RNA)
where:
Base-Base interactions energy: -84.261
where: short stacking energy: -65.214
Base-Backbone interact. energy: -0.607
local terms energy: -93.524936
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -27.536
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -151.260647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.260647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.260647 (E_RNA)
where:
Base-Base interactions energy: -59.598
where: short stacking energy: -38.677
Base-Backbone interact. energy: 0.888
local terms energy: -92.550604
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -28.291
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: 7.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -556.187349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.187349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.187349 (E_RNA)
where:
Base-Base interactions energy: -383.765
where: short stacking energy: -167.865
Base-Backbone interact. energy: -1.152
local terms energy: -171.270364
where:
bonds (distance) C4'-P energy: -25.685
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -37.566
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -47.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -530.541218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.541218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.541218 (E_RNA)
where:
Base-Base interactions energy: -362.117
where: short stacking energy: -174.712
Base-Backbone interact. energy: 0.154
local terms energy: -168.578020
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -27.149
flat angles C4'-P-C4' energy: -34.837
flat angles P-C4'-P energy: -28.359
tors. eta vs tors. theta energy: -44.853
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: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -539.311623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.311623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.311623 (E_RNA)
where:
Base-Base interactions energy: -361.490
where: short stacking energy: -174.713
Base-Backbone interact. energy: -1.443
local terms energy: -176.377850
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -39.424
flat angles C4'-P-C4' energy: -37.314
flat angles P-C4'-P energy: -22.206
tors. eta vs tors. theta energy: -48.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -475.194495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.194495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.194495 (E_RNA)
where:
Base-Base interactions energy: -327.222
where: short stacking energy: -156.298
Base-Backbone interact. energy: 1.294
local terms energy: -149.266623
where:
bonds (distance) C4'-P energy: -27.623
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: -38.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -434.605004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.605004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.605004 (E_RNA)
where:
Base-Base interactions energy: -284.402
where: short stacking energy: -136.230
Base-Backbone interact. energy: 0.119
local terms energy: -150.321535
where:
bonds (distance) C4'-P energy: -23.469
bonds (distance) P-C4' energy: -34.471
flat angles C4'-P-C4' energy: -37.003
flat angles P-C4'-P energy: -24.158
tors. eta vs tors. theta energy: -31.221
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: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -309.083323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.083323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.083323 (E_RNA)
where:
Base-Base interactions energy: -177.690
where: short stacking energy: -107.033
Base-Backbone interact. energy: -0.501
local terms energy: -130.891928
where:
bonds (distance) C4'-P energy: -31.957
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -34.408
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -341.114822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.114822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.114822 (E_RNA)
where:
Base-Base interactions energy: -212.464
where: short stacking energy: -109.541
Base-Backbone interact. energy: -1.237
local terms energy: -127.413480
where:
bonds (distance) C4'-P energy: -22.571
bonds (distance) P-C4' energy: -29.398
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -332.037640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.037640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.037640 (E_RNA)
where:
Base-Base interactions energy: -210.629
where: short stacking energy: -102.344
Base-Backbone interact. energy: -2.008
local terms energy: -119.400303
where:
bonds (distance) C4'-P energy: -29.849
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -187.630692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.630692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.630692 (E_RNA)
where:
Base-Base interactions energy: -79.429
where: short stacking energy: -77.608
Base-Backbone interact. energy: 4.557
local terms energy: -112.758757
where:
bonds (distance) C4'-P energy: -29.377
bonds (distance) P-C4' energy: -29.502
flat angles C4'-P-C4' energy: -26.015
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -5.074
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: 7
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -148.138562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.138562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.138562 (E_RNA)
where:
Base-Base interactions energy: -56.497
where: short stacking energy: -38.969
Base-Backbone interact. energy: 0.366
local terms energy: -92.007735
where:
bonds (distance) C4'-P energy: -26.406
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: 5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -558.401457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.401457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.401457 (E_RNA)
where:
Base-Base interactions energy: -380.823
where: short stacking energy: -171.429
Base-Backbone interact. energy: -1.276
local terms energy: -176.301681
where:
bonds (distance) C4'-P energy: -37.037
bonds (distance) P-C4' energy: -33.348
flat angles C4'-P-C4' energy: -38.089
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -44.204
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: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -532.855129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.855129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.855129 (E_RNA)
where:
Base-Base interactions energy: -368.115
where: short stacking energy: -175.961
Base-Backbone interact. energy: 0.214
local terms energy: -164.954573
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -29.190
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -24.407
tors. eta vs tors. theta energy: -49.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -518.733089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.733089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.733089 (E_RNA)
where:
Base-Base interactions energy: -355.915
where: short stacking energy: -170.563
Base-Backbone interact. energy: -0.057
local terms energy: -162.760663
where:
bonds (distance) C4'-P energy: -31.026
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -21.633
tors. eta vs tors. theta energy: -48.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -468.848643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.848643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.848643 (E_RNA)
where:
Base-Base interactions energy: -309.722
where: short stacking energy: -128.468
Base-Backbone interact. energy: -0.649
local terms energy: -158.478116
where:
bonds (distance) C4'-P energy: -35.194
bonds (distance) P-C4' energy: -30.152
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -35.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -435.540164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.540164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.540164 (E_RNA)
where:
Base-Base interactions energy: -295.930
where: short stacking energy: -134.272
Base-Backbone interact. energy: -1.682
local terms energy: -137.928553
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -34.026
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -38.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -350.008929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.008929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.008929 (E_RNA)
where:
Base-Base interactions energy: -218.932
where: short stacking energy: -109.010
Base-Backbone interact. energy: 0.651
local terms energy: -131.727286
where:
bonds (distance) C4'-P energy: -28.116
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -28.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -268.057798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.057798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.057798 (E_RNA)
where:
Base-Base interactions energy: -151.691
where: short stacking energy: -94.567
Base-Backbone interact. energy: -0.904
local terms energy: -115.463212
where:
bonds (distance) C4'-P energy: -27.174
bonds (distance) P-C4' energy: -28.050
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -18.305
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: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -355.224751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.224751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.224751 (E_RNA)
where:
Base-Base interactions energy: -242.547
where: short stacking energy: -115.749
Base-Backbone interact. energy: -0.856
local terms energy: -111.821059
where:
bonds (distance) C4'-P energy: -30.286
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -21.673
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: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -196.810310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.810310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.810310 (E_RNA)
where:
Base-Base interactions energy: -90.372
where: short stacking energy: -88.956
Base-Backbone interact. energy: -0.550
local terms energy: -105.888738
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -27.516
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -16.605
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: 7
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -151.503254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.503254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.503254 (E_RNA)
where:
Base-Base interactions energy: -63.565
where: short stacking energy: -40.033
Base-Backbone interact. energy: -1.373
local terms energy: -86.565437
where:
bonds (distance) C4'-P energy: -32.068
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: 2.706
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: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -574.907809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.907809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.907809 (E_RNA)
where:
Base-Base interactions energy: -397.785
where: short stacking energy: -177.145
Base-Backbone interact. energy: -0.389
local terms energy: -176.733530
where:
bonds (distance) C4'-P energy: -32.390
bonds (distance) P-C4' energy: -33.852
flat angles C4'-P-C4' energy: -34.183
flat angles P-C4'-P energy: -27.452
tors. eta vs tors. theta energy: -48.857
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: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -532.392661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.392661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.392661 (E_RNA)
where:
Base-Base interactions energy: -363.243
where: short stacking energy: -173.442
Base-Backbone interact. energy: -0.275
local terms energy: -168.874364
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -33.898
flat angles C4'-P-C4' energy: -34.940
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -47.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -526.269487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.269487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.269487 (E_RNA)
where:
Base-Base interactions energy: -358.841
where: short stacking energy: -171.321
Base-Backbone interact. energy: -2.349
local terms energy: -165.079710
where:
bonds (distance) C4'-P energy: -34.771
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -30.655
flat angles P-C4'-P energy: -24.747
tors. eta vs tors. theta energy: -48.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -471.384383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.384383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.384383 (E_RNA)
where:
Base-Base interactions energy: -315.184
where: short stacking energy: -131.380
Base-Backbone interact. energy: 0.430
local terms energy: -156.630616
where:
bonds (distance) C4'-P energy: -32.492
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -30.940
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -40.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -459.783419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.783419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.783419 (E_RNA)
where:
Base-Base interactions energy: -325.345
where: short stacking energy: -151.023
Base-Backbone interact. energy: 2.835
local terms energy: -137.272745
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -27.395
flat angles P-C4'-P energy: -17.292
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: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -379.499987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.499987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.499987 (E_RNA)
where:
Base-Base interactions energy: -234.433
where: short stacking energy: -119.304
Base-Backbone interact. energy: -0.934
local terms energy: -144.133088
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -26.842
flat angles C4'-P-C4' energy: -34.701
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -29.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -369.332297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.332297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.332297 (E_RNA)
where:
Base-Base interactions energy: -235.580
where: short stacking energy: -116.760
Base-Backbone interact. energy: 0.813
local terms energy: -134.565736
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -25.440
flat angles C4'-P-C4' energy: -34.111
flat angles P-C4'-P energy: -21.312
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: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -235.882356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.882356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.882356 (E_RNA)
where:
Base-Base interactions energy: -122.654
where: short stacking energy: -81.164
Base-Backbone interact. energy: -0.600
local terms energy: -112.628371
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -29.999
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -16.412
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: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -175.589041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.589041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.589041 (E_RNA)
where:
Base-Base interactions energy: -75.107
where: short stacking energy: -53.611
Base-Backbone interact. energy: -0.571
local terms energy: -99.910324
where:
bonds (distance) C4'-P energy: -29.619
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -1.322
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: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -148.488406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.488406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.488406 (E_RNA)
where:
Base-Base interactions energy: -52.113
where: short stacking energy: -45.001
Base-Backbone interact. energy: -0.179
local terms energy: -96.196640
where:
bonds (distance) C4'-P energy: -30.802
bonds (distance) P-C4' energy: -28.550
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: 5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -574.196601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.196601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.196601 (E_RNA)
where:
Base-Base interactions energy: -405.871
where: short stacking energy: -175.973
Base-Backbone interact. energy: 0.331
local terms energy: -168.656663
where:
bonds (distance) C4'-P energy: -31.225
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -28.576
tors. eta vs tors. theta energy: -49.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -534.596241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.596241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.596241 (E_RNA)
where:
Base-Base interactions energy: -362.804
where: short stacking energy: -176.067
Base-Backbone interact. energy: -0.730
local terms energy: -171.062300
where:
bonds (distance) C4'-P energy: -33.945
bonds (distance) P-C4' energy: -33.079
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -46.200
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: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -520.459423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.459423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.459423 (E_RNA)
where:
Base-Base interactions energy: -353.100
where: short stacking energy: -160.943
Base-Backbone interact. energy: -1.307
local terms energy: -166.052302
where:
bonds (distance) C4'-P energy: -36.449
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -20.453
tors. eta vs tors. theta energy: -46.580
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: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -448.111963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.111963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.111963 (E_RNA)
where:
Base-Base interactions energy: -291.089
where: short stacking energy: -151.745
Base-Backbone interact. energy: -0.824
local terms energy: -156.199537
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -31.690
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -40.135
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: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -454.202752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.202752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.202752 (E_RNA)
where:
Base-Base interactions energy: -300.101
where: short stacking energy: -149.293
Base-Backbone interact. energy: -0.280
local terms energy: -153.821582
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -32.694
flat angles C4'-P-C4' energy: -35.025
flat angles P-C4'-P energy: -18.649
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: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -378.938237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.938237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.938237 (E_RNA)
where:
Base-Base interactions energy: -243.862
where: short stacking energy: -118.648
Base-Backbone interact. energy: -2.120
local terms energy: -132.956240
where:
bonds (distance) C4'-P energy: -25.152
bonds (distance) P-C4' energy: -30.616
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -24.764
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: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -326.884358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.884358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.884358 (E_RNA)
where:
Base-Base interactions energy: -196.184
where: short stacking energy: -94.621
Base-Backbone interact. energy: -1.063
local terms energy: -129.637263
where:
bonds (distance) C4'-P energy: -33.650
bonds (distance) P-C4' energy: -29.440
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -18.359
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: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -226.131675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.131675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.131675 (E_RNA)
where:
Base-Base interactions energy: -116.173
where: short stacking energy: -65.476
Base-Backbone interact. energy: -0.293
local terms energy: -109.665821
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -36.453
flat angles C4'-P-C4' energy: -31.773
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -4.721
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: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -177.201338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.201338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.201338 (E_RNA)
where:
Base-Base interactions energy: -83.897
where: short stacking energy: -64.359
Base-Backbone interact. energy: 0.176
local terms energy: -93.479503
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -26.707
flat angles P-C4'-P energy: -17.825
tors. eta vs tors. theta energy: -0.257
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: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -156.819765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.819765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.819765 (E_RNA)
where:
Base-Base interactions energy: -70.297
where: short stacking energy: -52.200
Base-Backbone interact. energy: 0.399
local terms energy: -86.921543
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: 0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -579.246490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.246490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.246490 (E_RNA)
where:
Base-Base interactions energy: -411.638
where: short stacking energy: -182.713
Base-Backbone interact. energy: 1.214
local terms energy: -168.823146
where:
bonds (distance) C4'-P energy: -30.028
bonds (distance) P-C4' energy: -34.104
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -20.430
tors. eta vs tors. theta energy: -49.435
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: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -534.031429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.031429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.031429 (E_RNA)
where:
Base-Base interactions energy: -367.581
where: short stacking energy: -191.323
Base-Backbone interact. energy: -0.049
local terms energy: -166.401633
where:
bonds (distance) C4'-P energy: -30.393
bonds (distance) P-C4' energy: -31.305
flat angles C4'-P-C4' energy: -32.994
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -50.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -532.693523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.693523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.693523 (E_RNA)
where:
Base-Base interactions energy: -360.636
where: short stacking energy: -184.982
Base-Backbone interact. energy: 1.208
local terms energy: -173.265909
where:
bonds (distance) C4'-P energy: -31.207
bonds (distance) P-C4' energy: -31.703
flat angles C4'-P-C4' energy: -32.213
flat angles P-C4'-P energy: -27.182
tors. eta vs tors. theta energy: -50.961
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: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -445.039977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.039977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.039977 (E_RNA)
where:
Base-Base interactions energy: -297.803
where: short stacking energy: -157.240
Base-Backbone interact. energy: -0.049
local terms energy: -147.188332
where:
bonds (distance) C4'-P energy: -29.063
bonds (distance) P-C4' energy: -26.269
flat angles C4'-P-C4' energy: -30.783
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -44.077
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: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -452.707150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.707150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.707150 (E_RNA)
where:
Base-Base interactions energy: -290.831
where: short stacking energy: -146.528
Base-Backbone interact. energy: -0.095
local terms energy: -161.781456
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -32.958
flat angles C4'-P-C4' energy: -36.049
flat angles P-C4'-P energy: -25.236
tors. eta vs tors. theta energy: -39.739
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: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -381.124539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.124539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.124539 (E_RNA)
where:
Base-Base interactions energy: -234.444
where: short stacking energy: -120.524
Base-Backbone interact. energy: -2.432
local terms energy: -144.248632
where:
bonds (distance) C4'-P energy: -29.395
bonds (distance) P-C4' energy: -33.512
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -30.532
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: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -333.738474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.738474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.738474 (E_RNA)
where:
Base-Base interactions energy: -211.373
where: short stacking energy: -103.860
Base-Backbone interact. energy: -1.222
local terms energy: -121.143615
where:
bonds (distance) C4'-P energy: -28.988
bonds (distance) P-C4' energy: -29.850
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -21.344
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -198.576187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.576187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.576187 (E_RNA)
where:
Base-Base interactions energy: -98.092
where: short stacking energy: -70.222
Base-Backbone interact. energy: -0.650
local terms energy: -99.833643
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -10.603
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: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -199.674124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.674124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.674124 (E_RNA)
where:
Base-Base interactions energy: -93.716
where: short stacking energy: -83.891
Base-Backbone interact. energy: -0.254
local terms energy: -105.704848
where:
bonds (distance) C4'-P energy: -25.286
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -153.799196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.799196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.799196 (E_RNA)
where:
Base-Base interactions energy: -61.297
where: short stacking energy: -54.274
Base-Backbone interact. energy: -0.717
local terms energy: -91.785772
where:
bonds (distance) C4'-P energy: -36.303
bonds (distance) P-C4' energy: -20.603
flat angles C4'-P-C4' energy: -27.918
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -577.150094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.150094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.150094 (E_RNA)
where:
Base-Base interactions energy: -400.499
where: short stacking energy: -181.387
Base-Backbone interact. energy: -0.223
local terms energy: -176.428579
where:
bonds (distance) C4'-P energy: -33.770
bonds (distance) P-C4' energy: -33.903
flat angles C4'-P-C4' energy: -38.094
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -48.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -532.251009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.251009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.251009 (E_RNA)
where:
Base-Base interactions energy: -362.141
where: short stacking energy: -182.220
Base-Backbone interact. energy: -0.022
local terms energy: -170.087829
where:
bonds (distance) C4'-P energy: -33.604
bonds (distance) P-C4' energy: -29.588
flat angles C4'-P-C4' energy: -31.833
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -52.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -519.698476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.698476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.698476 (E_RNA)
where:
Base-Base interactions energy: -341.869
where: short stacking energy: -181.166
Base-Backbone interact. energy: -0.473
local terms energy: -177.356374
where:
bonds (distance) C4'-P energy: -32.996
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -34.304
flat angles P-C4'-P energy: -27.418
tors. eta vs tors. theta energy: -51.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -471.168425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.168425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.168425 (E_RNA)
where:
Base-Base interactions energy: -311.346
where: short stacking energy: -146.084
Base-Backbone interact. energy: -0.535
local terms energy: -159.287348
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -32.829
flat angles C4'-P-C4' energy: -38.206
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -36.029
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: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -458.052438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.052438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.052438 (E_RNA)
where:
Base-Base interactions energy: -303.239
where: short stacking energy: -137.414
Base-Backbone interact. energy: 1.717
local terms energy: -156.529553
where:
bonds (distance) C4'-P energy: -29.356
bonds (distance) P-C4' energy: -29.626
flat angles C4'-P-C4' energy: -34.275
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: -39.862
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: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -389.696610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.696610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.696610 (E_RNA)
where:
Base-Base interactions energy: -258.343
where: short stacking energy: -137.269
Base-Backbone interact. energy: -0.637
local terms energy: -130.716194
where:
bonds (distance) C4'-P energy: -29.204
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -22.715
tors. eta vs tors. theta energy: -31.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -366.672964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.672964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.672964 (E_RNA)
where:
Base-Base interactions energy: -234.031
where: short stacking energy: -129.742
Base-Backbone interact. energy: -0.731
local terms energy: -131.910873
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -32.190
flat angles C4'-P-C4' energy: -27.840
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -35.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -213.338520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.338520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.338520 (E_RNA)
where:
Base-Base interactions energy: -101.279
where: short stacking energy: -63.730
Base-Backbone interact. energy: -0.559
local terms energy: -111.500808
where:
bonds (distance) C4'-P energy: -30.325
bonds (distance) P-C4' energy: -28.052
flat angles C4'-P-C4' energy: -29.115
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -8.282
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: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -191.848222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.848222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.848222 (E_RNA)
where:
Base-Base interactions energy: -94.252
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.188
local terms energy: -97.407749
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -8.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -160.461005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.461005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.461005 (E_RNA)
where:
Base-Base interactions energy: -69.477
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.790
local terms energy: -90.194406
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -23.085
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: 0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -589.890794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.890794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.890794 (E_RNA)
where:
Base-Base interactions energy: -412.842
where: short stacking energy: -179.059
Base-Backbone interact. energy: -0.110
local terms energy: -176.938953
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -33.673
flat angles C4'-P-C4' energy: -36.455
flat angles P-C4'-P energy: -25.319
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: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -544.602467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.602467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.602467 (E_RNA)
where:
Base-Base interactions energy: -361.909
where: short stacking energy: -181.486
Base-Backbone interact. energy: -1.218
local terms energy: -181.475691
where:
bonds (distance) C4'-P energy: -31.375
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -35.538
flat angles P-C4'-P energy: -27.561
tors. eta vs tors. theta energy: -54.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -526.582344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.582344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.582344 (E_RNA)
where:
Base-Base interactions energy: -346.401
where: short stacking energy: -165.957
Base-Backbone interact. energy: -1.908
local terms energy: -178.273217
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -36.347
flat angles C4'-P-C4' energy: -37.231
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -49.995
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: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -459.373834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.373834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.373834 (E_RNA)
where:
Base-Base interactions energy: -306.907
where: short stacking energy: -140.716
Base-Backbone interact. energy: -0.392
local terms energy: -152.075308
where:
bonds (distance) C4'-P energy: -32.999
bonds (distance) P-C4' energy: -31.673
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -28.275
tors. eta vs tors. theta energy: -32.230
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: 154
Temperature: 1.100000
Total energy: -434.364831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.364831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.364831 (E_RNA)
where:
Base-Base interactions energy: -283.910
where: short stacking energy: -138.226
Base-Backbone interact. energy: -0.168
local terms energy: -150.287655
where:
bonds (distance) C4'-P energy: -29.561
bonds (distance) P-C4' energy: -29.861
flat angles C4'-P-C4' energy: -31.662
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: -36.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -396.262956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.262956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.262956 (E_RNA)
where:
Base-Base interactions energy: -247.694
where: short stacking energy: -125.234
Base-Backbone interact. energy: -0.558
local terms energy: -148.011171
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -32.996
flat angles C4'-P-C4' energy: -29.126
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -37.279
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: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -325.432562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.432562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.432562 (E_RNA)
where:
Base-Base interactions energy: -205.491
where: short stacking energy: -112.531
Base-Backbone interact. energy: 0.335
local terms energy: -120.276412
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -22.873
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: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -203.727991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.727991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.727991 (E_RNA)
where:
Base-Base interactions energy: -99.992
where: short stacking energy: -80.790
Base-Backbone interact. energy: 0.609
local terms energy: -104.344890
where:
bonds (distance) C4'-P energy: -27.451
bonds (distance) P-C4' energy: -27.940
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -190.342067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.342067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.342067 (E_RNA)
where:
Base-Base interactions energy: -88.669
where: short stacking energy: -58.948
Base-Backbone interact. energy: -1.274
local terms energy: -100.399038
where:
bonds (distance) C4'-P energy: -26.634
bonds (distance) P-C4' energy: -30.969
flat angles C4'-P-C4' energy: -28.344
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -163.849807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.849807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.849807 (E_RNA)
where:
Base-Base interactions energy: -60.532
where: short stacking energy: -58.185
Base-Backbone interact. energy: -0.778
local terms energy: -102.539625
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -33.796
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -3.580
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: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -591.620325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.620325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.620325 (E_RNA)
where:
Base-Base interactions energy: -413.496
where: short stacking energy: -184.175
Base-Backbone interact. energy: -0.243
local terms energy: -177.882125
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -35.214
flat angles C4'-P-C4' energy: -37.465
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: -54.383
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: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -541.537603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.537603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.537603 (E_RNA)
where:
Base-Base interactions energy: -360.012
where: short stacking energy: -175.811
Base-Backbone interact. energy: -0.660
local terms energy: -180.865210
where:
bonds (distance) C4'-P energy: -31.841
bonds (distance) P-C4' energy: -28.659
flat angles C4'-P-C4' energy: -38.304
flat angles P-C4'-P energy: -28.463
tors. eta vs tors. theta energy: -53.598
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: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -520.502441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.502441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.502441 (E_RNA)
where:
Base-Base interactions energy: -349.847
where: short stacking energy: -174.948
Base-Backbone interact. energy: -0.662
local terms energy: -169.993109
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -31.743
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -27.558
tors. eta vs tors. theta energy: -46.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -458.855783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.855783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.855783 (E_RNA)
where:
Base-Base interactions energy: -299.681
where: short stacking energy: -148.672
Base-Backbone interact. energy: -0.728
local terms energy: -158.446258
where:
bonds (distance) C4'-P energy: -31.442
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -35.160
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -39.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -437.162101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.162101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.162101 (E_RNA)
where:
Base-Base interactions energy: -285.102
where: short stacking energy: -138.595
Base-Backbone interact. energy: -2.221
local terms energy: -149.838864
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -30.631
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -37.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -401.818666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.818666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.818666 (E_RNA)
where:
Base-Base interactions energy: -257.822
where: short stacking energy: -118.956
Base-Backbone interact. energy: 0.603
local terms energy: -144.599018
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -38.668
flat angles C4'-P-C4' energy: -29.104
flat angles P-C4'-P energy: -20.438
tors. eta vs tors. theta energy: -27.264
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: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -347.386073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.386073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.386073 (E_RNA)
where:
Base-Base interactions energy: -224.573
where: short stacking energy: -92.103
Base-Backbone interact. energy: -0.169
local terms energy: -122.643823
where:
bonds (distance) C4'-P energy: -33.120
bonds (distance) P-C4' energy: -30.629
flat angles C4'-P-C4' energy: -29.945
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -183.070810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.070810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.070810 (E_RNA)
where:
Base-Base interactions energy: -88.910
where: short stacking energy: -84.659
Base-Backbone interact. energy: -0.388
local terms energy: -93.772611
where:
bonds (distance) C4'-P energy: -27.590
bonds (distance) P-C4' energy: -30.501
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -162.043549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.043549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.043549 (E_RNA)
where:
Base-Base interactions energy: -64.928
where: short stacking energy: -56.148
Base-Backbone interact. energy: -0.426
local terms energy: -96.688802
where:
bonds (distance) C4'-P energy: -33.407
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -29.066
flat angles P-C4'-P energy: -0.858
tors. eta vs tors. theta energy: -5.055
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: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -162.884261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.884261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.884261 (E_RNA)
where:
Base-Base interactions energy: -68.357
where: short stacking energy: -63.192
Base-Backbone interact. energy: -0.008
local terms energy: -94.518632
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -9.769
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: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -586.914771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.914771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.914771 (E_RNA)
where:
Base-Base interactions energy: -405.672
where: short stacking energy: -180.880
Base-Backbone interact. energy: -0.022
local terms energy: -181.220961
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -38.664
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -53.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -535.839883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.839883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.839883 (E_RNA)
where:
Base-Base interactions energy: -356.589
where: short stacking energy: -173.507
Base-Backbone interact. energy: -1.218
local terms energy: -178.032701
where:
bonds (distance) C4'-P energy: -29.657
bonds (distance) P-C4' energy: -33.622
flat angles C4'-P-C4' energy: -35.397
flat angles P-C4'-P energy: -27.950
tors. eta vs tors. theta energy: -51.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -502.626186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.626186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.626186 (E_RNA)
where:
Base-Base interactions energy: -341.547
where: short stacking energy: -165.556
Base-Backbone interact. energy: -0.416
local terms energy: -160.663103
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -33.326
flat angles C4'-P-C4' energy: -31.069
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -45.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -459.816190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.816190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.816190 (E_RNA)
where:
Base-Base interactions energy: -306.503
where: short stacking energy: -146.994
Base-Backbone interact. energy: -1.296
local terms energy: -152.016739
where:
bonds (distance) C4'-P energy: -31.729
bonds (distance) P-C4' energy: -31.159
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: -37.917
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: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -435.236573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.236573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.236573 (E_RNA)
where:
Base-Base interactions energy: -284.050
where: short stacking energy: -134.864
Base-Backbone interact. energy: -0.707
local terms energy: -150.479489
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -31.597
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -39.870
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: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -416.774116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.774116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.774116 (E_RNA)
where:
Base-Base interactions energy: -284.240
where: short stacking energy: -136.407
Base-Backbone interact. energy: -0.165
local terms energy: -132.368303
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -29.165
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -32.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -356.029669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.029669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.029669 (E_RNA)
where:
Base-Base interactions energy: -235.397
where: short stacking energy: -97.941
Base-Backbone interact. energy: -0.229
local terms energy: -120.403676
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -25.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -230.884917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.884917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.884917 (E_RNA)
where:
Base-Base interactions energy: -115.424
where: short stacking energy: -68.492
Base-Backbone interact. energy: -0.276
local terms energy: -115.184809
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -26.504
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -172.451621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.451621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.451621 (E_RNA)
where:
Base-Base interactions energy: -76.641
where: short stacking energy: -65.850
Base-Backbone interact. energy: -0.451
local terms energy: -95.359006
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -27.597
flat angles C4'-P-C4' energy: -25.007
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -8.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -166.454704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.454704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.454704 (E_RNA)
where:
Base-Base interactions energy: -68.108
where: short stacking energy: -64.742
Base-Backbone interact. energy: 2.251
local terms energy: -100.598007
where:
bonds (distance) C4'-P energy: -24.643
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -27.341
flat angles P-C4'-P energy: -16.979
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -594.435271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.435271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.435271 (E_RNA)
where:
Base-Base interactions energy: -414.031
where: short stacking energy: -195.758
Base-Backbone interact. energy: -0.027
local terms energy: -180.376873
where:
bonds (distance) C4'-P energy: -32.430
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -37.075
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -54.804
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: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -543.933145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.933145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.933145 (E_RNA)
where:
Base-Base interactions energy: -361.353
where: short stacking energy: -168.270
Base-Backbone interact. energy: -0.158
local terms energy: -182.422151
where:
bonds (distance) C4'-P energy: -32.314
bonds (distance) P-C4' energy: -34.071
flat angles C4'-P-C4' energy: -36.345
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -51.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -509.976273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.976273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.976273 (E_RNA)
where:
Base-Base interactions energy: -349.234
where: short stacking energy: -166.623
Base-Backbone interact. energy: -0.368
local terms energy: -160.374502
where:
bonds (distance) C4'-P energy: -27.152
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -33.221
flat angles P-C4'-P energy: -24.542
tors. eta vs tors. theta energy: -43.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -481.263288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.263288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.263288 (E_RNA)
where:
Base-Base interactions energy: -324.471
where: short stacking energy: -147.478
Base-Backbone interact. energy: -0.132
local terms energy: -156.660396
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -31.320
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: -41.185
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: 157
Temperature: 1.100000
Total energy: -409.237145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.237145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.237145 (E_RNA)
where:
Base-Base interactions energy: -262.320
where: short stacking energy: -143.132
Base-Backbone interact. energy: -1.758
local terms energy: -145.158930
where:
bonds (distance) C4'-P energy: -29.199
bonds (distance) P-C4' energy: -30.564
flat angles C4'-P-C4' energy: -28.853
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -36.975
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: 157
Temperature: 1.150000
Total energy: -436.370609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.370609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.370609 (E_RNA)
where:
Base-Base interactions energy: -308.771
where: short stacking energy: -142.203
Base-Backbone interact. energy: -0.974
local terms energy: -126.624997
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -36.542
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -31.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -290.274253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.274253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.274253 (E_RNA)
where:
Base-Base interactions energy: -163.715
where: short stacking energy: -80.718
Base-Backbone interact. energy: -0.863
local terms energy: -125.696625
where:
bonds (distance) C4'-P energy: -25.105
bonds (distance) P-C4' energy: -35.203
flat angles C4'-P-C4' energy: -33.327
flat angles P-C4'-P energy: -22.878
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -203.089405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.089405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.089405 (E_RNA)
where:
Base-Base interactions energy: -85.626
where: short stacking energy: -69.415
Base-Backbone interact. energy: -0.444
local terms energy: -117.019829
where:
bonds (distance) C4'-P energy: -28.773
bonds (distance) P-C4' energy: -34.344
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -197.211468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.211468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.211468 (E_RNA)
where:
Base-Base interactions energy: -90.989
where: short stacking energy: -76.243
Base-Backbone interact. energy: -0.456
local terms energy: -105.766150
where:
bonds (distance) C4'-P energy: -29.340
bonds (distance) P-C4' energy: -29.254
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -161.832725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.832725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.832725 (E_RNA)
where:
Base-Base interactions energy: -68.281
where: short stacking energy: -54.295
Base-Backbone interact. energy: 1.898
local terms energy: -95.449272
where:
bonds (distance) C4'-P energy: -26.425
bonds (distance) P-C4' energy: -33.255
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -7.326
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: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -596.031185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.031185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.031185 (E_RNA)
where:
Base-Base interactions energy: -411.330
where: short stacking energy: -189.126
Base-Backbone interact. energy: -0.292
local terms energy: -184.409641
where:
bonds (distance) C4'-P energy: -30.272
bonds (distance) P-C4' energy: -36.297
flat angles C4'-P-C4' energy: -35.426
flat angles P-C4'-P energy: -28.043
tors. eta vs tors. theta energy: -54.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -551.214314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.214314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.214314 (E_RNA)
where:
Base-Base interactions energy: -375.020
where: short stacking energy: -187.458
Base-Backbone interact. energy: -0.298
local terms energy: -175.896160
where:
bonds (distance) C4'-P energy: -27.123
bonds (distance) P-C4' energy: -28.813
flat angles C4'-P-C4' energy: -39.106
flat angles P-C4'-P energy: -27.813
tors. eta vs tors. theta energy: -53.042
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: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -483.516989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.516989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.516989 (E_RNA)
where:
Base-Base interactions energy: -316.942
where: short stacking energy: -155.720
Base-Backbone interact. energy: -0.655
local terms energy: -165.919713
where:
bonds (distance) C4'-P energy: -28.303
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -36.502
flat angles P-C4'-P energy: -26.229
tors. eta vs tors. theta energy: -43.679
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: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -507.492290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.492290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.492290 (E_RNA)
where:
Base-Base interactions energy: -345.299
where: short stacking energy: -169.148
Base-Backbone interact. energy: -0.914
local terms energy: -161.279828
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -33.339
flat angles C4'-P-C4' energy: -34.614
flat angles P-C4'-P energy: -21.451
tors. eta vs tors. theta energy: -45.093
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: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -441.467247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.467247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.467247 (E_RNA)
where:
Base-Base interactions energy: -294.425
where: short stacking energy: -135.421
Base-Backbone interact. energy: -0.716
local terms energy: -146.325783
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -33.990
flat angles C4'-P-C4' energy: -32.741
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -37.751
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: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -408.167195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.167195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.167195 (E_RNA)
where:
Base-Base interactions energy: -260.147
where: short stacking energy: -135.500
Base-Backbone interact. energy: -0.117
local terms energy: -147.903719
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -27.926
flat angles P-C4'-P energy: -23.405
tors. eta vs tors. theta energy: -40.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -311.842059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.842059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.842059 (E_RNA)
where:
Base-Base interactions energy: -207.851
where: short stacking energy: -108.907
Base-Backbone interact. energy: -1.410
local terms energy: -102.581033
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -23.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -189.261687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.261687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.261687 (E_RNA)
where:
Base-Base interactions energy: -86.812
where: short stacking energy: -71.648
Base-Backbone interact. energy: -0.120
local terms energy: -102.330189
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -34.236
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -8.724
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: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -187.656328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.656328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.656328 (E_RNA)
where:
Base-Base interactions energy: -76.146
where: short stacking energy: -67.870
Base-Backbone interact. energy: -0.777
local terms energy: -110.733574
where:
bonds (distance) C4'-P energy: -21.747
bonds (distance) P-C4' energy: -32.932
flat angles C4'-P-C4' energy: -28.090
flat angles P-C4'-P energy: -24.156
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: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -162.140540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.140540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.140540 (E_RNA)
where:
Base-Base interactions energy: -74.959
where: short stacking energy: -56.346
Base-Backbone interact. energy: 0.231
local terms energy: -87.412552
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -28.459
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -593.364712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.364712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.364712 (E_RNA)
where:
Base-Base interactions energy: -408.783
where: short stacking energy: -190.667
Base-Backbone interact. energy: -0.329
local terms energy: -184.253352
where:
bonds (distance) C4'-P energy: -31.803
bonds (distance) P-C4' energy: -30.164
flat angles C4'-P-C4' energy: -38.761
flat angles P-C4'-P energy: -29.918
tors. eta vs tors. theta energy: -53.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -506.995435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.995435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.995435 (E_RNA)
where:
Base-Base interactions energy: -330.393
where: short stacking energy: -160.349
Base-Backbone interact. energy: -0.447
local terms energy: -176.156184
where:
bonds (distance) C4'-P energy: -34.048
bonds (distance) P-C4' energy: -32.109
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -47.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -522.954185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.954185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.954185 (E_RNA)
where:
Base-Base interactions energy: -346.274
where: short stacking energy: -175.279
Base-Backbone interact. energy: 0.187
local terms energy: -176.866750
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -35.406
flat angles P-C4'-P energy: -25.993
tors. eta vs tors. theta energy: -52.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -511.763411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.763411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.763411 (E_RNA)
where:
Base-Base interactions energy: -337.365
where: short stacking energy: -160.708
Base-Backbone interact. energy: -0.194
local terms energy: -174.203597
where:
bonds (distance) C4'-P energy: -30.527
bonds (distance) P-C4' energy: -32.735
flat angles C4'-P-C4' energy: -39.581
flat angles P-C4'-P energy: -25.564
tors. eta vs tors. theta energy: -45.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -429.784285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.784285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.784285 (E_RNA)
where:
Base-Base interactions energy: -285.432
where: short stacking energy: -141.385
Base-Backbone interact. energy: -1.441
local terms energy: -142.911269
where:
bonds (distance) C4'-P energy: -25.531
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -36.106
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -33.249
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: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -393.744417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.744417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.744417 (E_RNA)
where:
Base-Base interactions energy: -259.165
where: short stacking energy: -126.553
Base-Backbone interact. energy: -0.789
local terms energy: -133.790181
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -29.077
flat angles C4'-P-C4' energy: -31.104
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -30.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -266.392455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.392455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.392455 (E_RNA)
where:
Base-Base interactions energy: -142.236
where: short stacking energy: -92.567
Base-Backbone interact. energy: -0.371
local terms energy: -123.785317
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -193.042508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.042508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.042508 (E_RNA)
where:
Base-Base interactions energy: -105.457
where: short stacking energy: -61.169
Base-Backbone interact. energy: -0.605
local terms energy: -86.980422
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -24.000
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -167.579810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.579810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.579810 (E_RNA)
where:
Base-Base interactions energy: -60.058
where: short stacking energy: -54.278
Base-Backbone interact. energy: -0.247
local terms energy: -107.275328
where:
bonds (distance) C4'-P energy: -30.317
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -6.440
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: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -148.196396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.196396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.196396 (E_RNA)
where:
Base-Base interactions energy: -71.163
where: short stacking energy: -60.869
Base-Backbone interact. energy: -0.405
local terms energy: -76.628132
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: 5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -605.563894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.563894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.563894 (E_RNA)
where:
Base-Base interactions energy: -425.597
where: short stacking energy: -184.357
Base-Backbone interact. energy: -0.167
local terms energy: -179.799669
where:
bonds (distance) C4'-P energy: -33.534
bonds (distance) P-C4' energy: -31.181
flat angles C4'-P-C4' energy: -39.599
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -51.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -499.066185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.066185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.066185 (E_RNA)
where:
Base-Base interactions energy: -324.355
where: short stacking energy: -163.922
Base-Backbone interact. energy: 0.433
local terms energy: -175.143957
where:
bonds (distance) C4'-P energy: -33.683
bonds (distance) P-C4' energy: -35.274
flat angles C4'-P-C4' energy: -41.059
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: -42.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -521.225129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.225129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.225129 (E_RNA)
where:
Base-Base interactions energy: -346.876
where: short stacking energy: -159.910
Base-Backbone interact. energy: -0.550
local terms energy: -173.798764
where:
bonds (distance) C4'-P energy: -34.077
bonds (distance) P-C4' energy: -33.195
flat angles C4'-P-C4' energy: -36.541
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -49.058
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: 160
Temperature: 1.050000
Total energy: -515.507784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.507784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.507784 (E_RNA)
where:
Base-Base interactions energy: -341.775
where: short stacking energy: -167.684
Base-Backbone interact. energy: -0.592
local terms energy: -173.140819
where:
bonds (distance) C4'-P energy: -35.472
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -30.843
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -50.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -436.024650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.024650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.024650 (E_RNA)
where:
Base-Base interactions energy: -283.396
where: short stacking energy: -141.851
Base-Backbone interact. energy: -0.262
local terms energy: -152.366044
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -36.182
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: -40.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -434.108148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.108148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.108148 (E_RNA)
where:
Base-Base interactions energy: -287.260
where: short stacking energy: -131.612
Base-Backbone interact. energy: -3.420
local terms energy: -143.428133
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -26.466
flat angles C4'-P-C4' energy: -26.503
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -39.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -244.969375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.969375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.969375 (E_RNA)
where:
Base-Base interactions energy: -116.465
where: short stacking energy: -84.739
Base-Backbone interact. energy: -0.088
local terms energy: -128.415684
where:
bonds (distance) C4'-P energy: -23.847
bonds (distance) P-C4' energy: -29.875
flat angles C4'-P-C4' energy: -31.199
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -19.964
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: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -189.381709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.381709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.381709 (E_RNA)
where:
Base-Base interactions energy: -83.921
where: short stacking energy: -81.000
Base-Backbone interact. energy: -0.694
local terms energy: -104.766744
where:
bonds (distance) C4'-P energy: -27.489
bonds (distance) P-C4' energy: -28.625
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -6.976
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: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -183.206070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.206070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.206070 (E_RNA)
where:
Base-Base interactions energy: -79.699
where: short stacking energy: -61.880
Base-Backbone interact. energy: 0.024
local terms energy: -103.531811
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -28.591
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -153.383228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.383228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.383228 (E_RNA)
where:
Base-Base interactions energy: -49.432
where: short stacking energy: -47.072
Base-Backbone interact. energy: -0.615
local terms energy: -103.336258
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -592.840061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.840061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.840061 (E_RNA)
where:
Base-Base interactions energy: -411.549
where: short stacking energy: -187.164
Base-Backbone interact. energy: -0.066
local terms energy: -181.225705
where:
bonds (distance) C4'-P energy: -37.737
bonds (distance) P-C4' energy: -33.534
flat angles C4'-P-C4' energy: -40.006
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -50.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -541.100500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.100500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.100500 (E_RNA)
where:
Base-Base interactions energy: -361.603
where: short stacking energy: -178.878
Base-Backbone interact. energy: -0.981
local terms energy: -178.516458
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -39.765
flat angles P-C4'-P energy: -26.130
tors. eta vs tors. theta energy: -48.306
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: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -496.082022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.082022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.082022 (E_RNA)
where:
Base-Base interactions energy: -319.459
where: short stacking energy: -143.989
Base-Backbone interact. energy: -0.712
local terms energy: -175.911631
where:
bonds (distance) C4'-P energy: -32.670
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -26.662
tors. eta vs tors. theta energy: -43.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -503.429931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.429931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.429931 (E_RNA)
where:
Base-Base interactions energy: -333.374
where: short stacking energy: -153.747
Base-Backbone interact. energy: -0.013
local terms energy: -170.042336
where:
bonds (distance) C4'-P energy: -32.142
bonds (distance) P-C4' energy: -33.293
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: -45.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -444.937008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.937008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.937008 (E_RNA)
where:
Base-Base interactions energy: -293.023
where: short stacking energy: -150.856
Base-Backbone interact. energy: -0.316
local terms energy: -151.597364
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -43.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -450.407948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.407948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.407948 (E_RNA)
where:
Base-Base interactions energy: -309.890
where: short stacking energy: -144.214
Base-Backbone interact. energy: -0.218
local terms energy: -140.299917
where:
bonds (distance) C4'-P energy: -35.149
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -28.823
flat angles P-C4'-P energy: -19.865
tors. eta vs tors. theta energy: -33.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -232.542109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.542109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.542109 (E_RNA)
where:
Base-Base interactions energy: -127.651
where: short stacking energy: -91.058
Base-Backbone interact. energy: 0.560
local terms energy: -105.450889
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -32.420
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -12.490
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: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -179.932067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.932067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.932067 (E_RNA)
where:
Base-Base interactions energy: -74.456
where: short stacking energy: -68.932
Base-Backbone interact. energy: 2.677
local terms energy: -108.152675
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -31.047
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: -4.710
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: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -170.991287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.991287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.991287 (E_RNA)
where:
Base-Base interactions energy: -73.199
where: short stacking energy: -66.503
Base-Backbone interact. energy: -0.465
local terms energy: -97.327764
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -26.433
flat angles C4'-P-C4' energy: -29.759
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -9.554
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: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -150.710360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.710360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.710360 (E_RNA)
where:
Base-Base interactions energy: -63.846
where: short stacking energy: -48.072
Base-Backbone interact. energy: -0.840
local terms energy: -86.024177
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -24.762
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: 5.101
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: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -588.183786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.183786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.183786 (E_RNA)
where:
Base-Base interactions energy: -404.809
where: short stacking energy: -183.988
Base-Backbone interact. energy: -1.248
local terms energy: -182.126526
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -32.067
flat angles C4'-P-C4' energy: -40.209
flat angles P-C4'-P energy: -26.801
tors. eta vs tors. theta energy: -54.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -525.431066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.431066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.431066 (E_RNA)
where:
Base-Base interactions energy: -350.326
where: short stacking energy: -179.651
Base-Backbone interact. energy: 1.568
local terms energy: -176.672579
where:
bonds (distance) C4'-P energy: -34.408
bonds (distance) P-C4' energy: -34.152
flat angles C4'-P-C4' energy: -35.171
flat angles P-C4'-P energy: -24.713
tors. eta vs tors. theta energy: -48.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -522.195443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.195443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.195443 (E_RNA)
where:
Base-Base interactions energy: -359.670
where: short stacking energy: -158.372
Base-Backbone interact. energy: -0.416
local terms energy: -162.109471
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -30.058
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -27.060
tors. eta vs tors. theta energy: -44.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -477.661462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.661462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.661462 (E_RNA)
where:
Base-Base interactions energy: -323.615
where: short stacking energy: -151.090
Base-Backbone interact. energy: -0.108
local terms energy: -153.938025
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -36.838
flat angles P-C4'-P energy: -26.063
tors. eta vs tors. theta energy: -43.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -471.560796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.560796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.560796 (E_RNA)
where:
Base-Base interactions energy: -312.937
where: short stacking energy: -141.861
Base-Backbone interact. energy: -0.137
local terms energy: -158.486039
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -33.770
flat angles C4'-P-C4' energy: -34.270
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -41.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -424.542373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.542373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.542373 (E_RNA)
where:
Base-Base interactions energy: -288.809
where: short stacking energy: -134.331
Base-Backbone interact. energy: -1.261
local terms energy: -134.473003
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -22.636
tors. eta vs tors. theta energy: -32.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -204.071400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.071400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.071400 (E_RNA)
where:
Base-Base interactions energy: -87.674
where: short stacking energy: -77.501
Base-Backbone interact. energy: -0.538
local terms energy: -115.859018
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -31.120
flat angles C4'-P-C4' energy: -26.398
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -12.838
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: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -253.094320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.094320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.094320 (E_RNA)
where:
Base-Base interactions energy: -134.103
where: short stacking energy: -88.431
Base-Backbone interact. energy: -0.892
local terms energy: -118.099391
where:
bonds (distance) C4'-P energy: -23.451
bonds (distance) P-C4' energy: -32.822
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -14.381
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: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -176.284053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.284053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.284053 (E_RNA)
where:
Base-Base interactions energy: -75.583
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.289
local terms energy: -100.412212
where:
bonds (distance) C4'-P energy: -33.642
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -9.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -154.196412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.196412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.196412 (E_RNA)
where:
Base-Base interactions energy: -62.976
where: short stacking energy: -60.129
Base-Backbone interact. energy: -0.548
local terms energy: -90.672713
where:
bonds (distance) C4'-P energy: -30.801
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -29.396
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -591.651585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.651585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.651585 (E_RNA)
where:
Base-Base interactions energy: -402.808
where: short stacking energy: -182.190
Base-Backbone interact. energy: -0.585
local terms energy: -188.258480
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -37.403
flat angles C4'-P-C4' energy: -40.107
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -51.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -543.705902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.705902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.705902 (E_RNA)
where:
Base-Base interactions energy: -376.436
where: short stacking energy: -172.065
Base-Backbone interact. energy: -1.174
local terms energy: -166.095243
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -32.759
flat angles C4'-P-C4' energy: -37.840
flat angles P-C4'-P energy: -27.678
tors. eta vs tors. theta energy: -47.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -516.796645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.796645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.796645 (E_RNA)
where:
Base-Base interactions energy: -349.296
where: short stacking energy: -161.158
Base-Backbone interact. energy: 0.524
local terms energy: -168.024908
where:
bonds (distance) C4'-P energy: -32.183
bonds (distance) P-C4' energy: -32.923
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -43.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -474.639478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.639478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.639478 (E_RNA)
where:
Base-Base interactions energy: -323.215
where: short stacking energy: -165.492
Base-Backbone interact. energy: -0.415
local terms energy: -151.009422
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -26.831
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -39.536
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: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -450.787565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.787565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.787565 (E_RNA)
where:
Base-Base interactions energy: -304.693
where: short stacking energy: -134.958
Base-Backbone interact. energy: 0.754
local terms energy: -146.848476
where:
bonds (distance) C4'-P energy: -26.704
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -35.630
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: -40.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -423.526512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.526512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.526512 (E_RNA)
where:
Base-Base interactions energy: -277.725
where: short stacking energy: -146.122
Base-Backbone interact. energy: -0.614
local terms energy: -145.187411
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -32.239
flat angles C4'-P-C4' energy: -31.348
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -41.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -202.067374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.067374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.067374 (E_RNA)
where:
Base-Base interactions energy: -88.789
where: short stacking energy: -63.617
Base-Backbone interact. energy: -1.231
local terms energy: -112.047059
where:
bonds (distance) C4'-P energy: -25.544
bonds (distance) P-C4' energy: -31.028
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -23.488
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: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -242.108234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.108234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.108234 (E_RNA)
where:
Base-Base interactions energy: -117.182
where: short stacking energy: -82.086
Base-Backbone interact. energy: -1.971
local terms energy: -122.955421
where:
bonds (distance) C4'-P energy: -33.107
bonds (distance) P-C4' energy: -29.508
flat angles C4'-P-C4' energy: -28.354
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -186.157083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.157083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.157083 (E_RNA)
where:
Base-Base interactions energy: -76.069
where: short stacking energy: -53.864
Base-Backbone interact. energy: 0.806
local terms energy: -110.893945
where:
bonds (distance) C4'-P energy: -25.200
bonds (distance) P-C4' energy: -34.677
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -170.175863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.175863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.175863 (E_RNA)
where:
Base-Base interactions energy: -50.687
where: short stacking energy: -49.721
Base-Backbone interact. energy: -1.399
local terms energy: -118.089665
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -33.869
flat angles C4'-P-C4' energy: -31.929
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -15.024
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: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -589.067760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.067760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.067760 (E_RNA)
where:
Base-Base interactions energy: -407.127
where: short stacking energy: -190.593
Base-Backbone interact. energy: -0.096
local terms energy: -181.844825
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -34.372
flat angles C4'-P-C4' energy: -35.137
flat angles P-C4'-P energy: -30.036
tors. eta vs tors. theta energy: -53.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -536.030575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.030575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.030575 (E_RNA)
where:
Base-Base interactions energy: -369.396
where: short stacking energy: -185.453
Base-Backbone interact. energy: -0.298
local terms energy: -166.336846
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -29.440
flat angles C4'-P-C4' energy: -35.830
flat angles P-C4'-P energy: -26.478
tors. eta vs tors. theta energy: -50.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -507.126998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.126998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.126998 (E_RNA)
where:
Base-Base interactions energy: -349.685
where: short stacking energy: -160.926
Base-Backbone interact. energy: -0.105
local terms energy: -157.336151
where:
bonds (distance) C4'-P energy: -33.376
bonds (distance) P-C4' energy: -28.781
flat angles C4'-P-C4' energy: -30.579
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: -43.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -480.824081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.824081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.824081 (E_RNA)
where:
Base-Base interactions energy: -321.874
where: short stacking energy: -153.062
Base-Backbone interact. energy: -0.496
local terms energy: -158.454337
where:
bonds (distance) C4'-P energy: -32.627
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -29.357
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: -43.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -421.068256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.068256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.068256 (E_RNA)
where:
Base-Base interactions energy: -273.700
where: short stacking energy: -126.131
Base-Backbone interact. energy: -2.379
local terms energy: -144.989610
where:
bonds (distance) C4'-P energy: -28.352
bonds (distance) P-C4' energy: -31.973
flat angles C4'-P-C4' energy: -30.409
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -33.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -448.766008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.766008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.766008 (E_RNA)
where:
Base-Base interactions energy: -297.501
where: short stacking energy: -138.876
Base-Backbone interact. energy: 0.428
local terms energy: -151.693827
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -29.676
flat angles C4'-P-C4' energy: -35.511
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -42.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -241.488683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.488683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.488683 (E_RNA)
where:
Base-Base interactions energy: -119.789
where: short stacking energy: -68.238
Base-Backbone interact. energy: -0.745
local terms energy: -120.954002
where:
bonds (distance) C4'-P energy: -32.581
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -27.068
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -177.596897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.596897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.596897 (E_RNA)
where:
Base-Base interactions energy: -71.608
where: short stacking energy: -54.594
Base-Backbone interact. energy: -0.898
local terms energy: -105.090087
where:
bonds (distance) C4'-P energy: -29.859
bonds (distance) P-C4' energy: -33.381
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -161.818261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.818261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.818261 (E_RNA)
where:
Base-Base interactions energy: -68.861
where: short stacking energy: -51.961
Base-Backbone interact. energy: 3.004
local terms energy: -95.961213
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -31.492
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: 4.573
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: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -146.040488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.040488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.040488 (E_RNA)
where:
Base-Base interactions energy: -54.112
where: short stacking energy: -44.019
Base-Backbone interact. energy: 0.444
local terms energy: -92.372763
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -28.238
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -592.010111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.010111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.010111 (E_RNA)
where:
Base-Base interactions energy: -401.204
where: short stacking energy: -191.566
Base-Backbone interact. energy: -0.146
local terms energy: -190.659768
where:
bonds (distance) C4'-P energy: -33.750
bonds (distance) P-C4' energy: -34.317
flat angles C4'-P-C4' energy: -37.342
flat angles P-C4'-P energy: -29.651
tors. eta vs tors. theta energy: -55.599
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: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -529.855226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.855226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.855226 (E_RNA)
where:
Base-Base interactions energy: -367.670
where: short stacking energy: -170.793
Base-Backbone interact. energy: -0.088
local terms energy: -162.097401
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -31.733
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -25.989
tors. eta vs tors. theta energy: -44.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -526.047728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.047728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.047728 (E_RNA)
where:
Base-Base interactions energy: -358.569
where: short stacking energy: -168.756
Base-Backbone interact. energy: -0.160
local terms energy: -167.318781
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -26.641
flat angles C4'-P-C4' energy: -35.961
flat angles P-C4'-P energy: -25.616
tors. eta vs tors. theta energy: -50.281
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: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -467.581322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.581322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.581322 (E_RNA)
where:
Base-Base interactions energy: -302.688
where: short stacking energy: -142.639
Base-Backbone interact. energy: -0.580
local terms energy: -164.313986
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -36.302
flat angles C4'-P-C4' energy: -35.252
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -469.528153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.528153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.528153 (E_RNA)
where:
Base-Base interactions energy: -321.951
where: short stacking energy: -155.265
Base-Backbone interact. energy: -0.796
local terms energy: -146.780974
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -34.024
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -40.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -468.637251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.637251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.637251 (E_RNA)
where:
Base-Base interactions energy: -310.257
where: short stacking energy: -153.347
Base-Backbone interact. energy: -0.691
local terms energy: -157.689740
where:
bonds (distance) C4'-P energy: -29.689
bonds (distance) P-C4' energy: -32.103
flat angles C4'-P-C4' energy: -32.782
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: -41.512
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: 165
Temperature: 1.200000
Total energy: -213.745439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.745439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.745439 (E_RNA)
where:
Base-Base interactions energy: -109.895
where: short stacking energy: -75.791
Base-Backbone interact. energy: -1.643
local terms energy: -102.207256
where:
bonds (distance) C4'-P energy: -31.675
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -15.671
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -198.388431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.388431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.388431 (E_RNA)
where:
Base-Base interactions energy: -90.983
where: short stacking energy: -79.141
Base-Backbone interact. energy: 0.591
local terms energy: -107.996429
where:
bonds (distance) C4'-P energy: -29.191
bonds (distance) P-C4' energy: -29.004
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -10.799
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: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -194.898098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.898098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.898098 (E_RNA)
where:
Base-Base interactions energy: -102.201
where: short stacking energy: -67.662
Base-Backbone interact. energy: -0.302
local terms energy: -92.394814
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -29.136
flat angles C4'-P-C4' energy: -27.676
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -157.772279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.772279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.772279 (E_RNA)
where:
Base-Base interactions energy: -67.309
where: short stacking energy: -56.246
Base-Backbone interact. energy: -1.539
local terms energy: -88.924136
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -579.589201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.589201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.589201 (E_RNA)
where:
Base-Base interactions energy: -403.599
where: short stacking energy: -175.414
Base-Backbone interact. energy: -1.005
local terms energy: -174.985314
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -34.087
flat angles C4'-P-C4' energy: -35.717
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -48.213
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: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -550.602890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.602890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.602890 (E_RNA)
where:
Base-Base interactions energy: -373.409
where: short stacking energy: -186.225
Base-Backbone interact. energy: -1.044
local terms energy: -176.149098
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -36.766
flat angles C4'-P-C4' energy: -34.262
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -56.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -507.403252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.403252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.403252 (E_RNA)
where:
Base-Base interactions energy: -338.801
where: short stacking energy: -151.718
Base-Backbone interact. energy: -0.214
local terms energy: -168.387821
where:
bonds (distance) C4'-P energy: -28.329
bonds (distance) P-C4' energy: -30.386
flat angles C4'-P-C4' energy: -36.221
flat angles P-C4'-P energy: -25.318
tors. eta vs tors. theta energy: -48.134
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: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -477.878259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.878259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.878259 (E_RNA)
where:
Base-Base interactions energy: -318.547
where: short stacking energy: -139.990
Base-Backbone interact. energy: -0.954
local terms energy: -158.376730
where:
bonds (distance) C4'-P energy: -31.807
bonds (distance) P-C4' energy: -32.398
flat angles C4'-P-C4' energy: -37.606
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -35.842
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: 166
Temperature: 1.100000
Total energy: -468.959078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.959078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.959078 (E_RNA)
where:
Base-Base interactions energy: -305.648
where: short stacking energy: -143.947
Base-Backbone interact. energy: 1.936
local terms energy: -165.247061
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -31.186
flat angles P-C4'-P energy: -25.020
tors. eta vs tors. theta energy: -40.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -440.633438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.633438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.633438 (E_RNA)
where:
Base-Base interactions energy: -295.755
where: short stacking energy: -144.551
Base-Backbone interact. energy: -0.361
local terms energy: -144.517669
where:
bonds (distance) C4'-P energy: -26.066
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -27.800
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -39.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -211.553641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.553641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.553641 (E_RNA)
where:
Base-Base interactions energy: -87.040
where: short stacking energy: -82.405
Base-Backbone interact. energy: -0.578
local terms energy: -123.935468
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -32.866
flat angles C4'-P-C4' energy: -31.825
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -245.593384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.593384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.593384 (E_RNA)
where:
Base-Base interactions energy: -143.340
where: short stacking energy: -84.878
Base-Backbone interact. energy: 1.018
local terms energy: -103.271407
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -35.791
flat angles C4'-P-C4' energy: -29.812
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -186.419730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.419730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.419730 (E_RNA)
where:
Base-Base interactions energy: -73.676
where: short stacking energy: -65.091
Base-Backbone interact. energy: -2.503
local terms energy: -110.240405
where:
bonds (distance) C4'-P energy: -23.333
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -29.944
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -155.025112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.025112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.025112 (E_RNA)
where:
Base-Base interactions energy: -59.700
where: short stacking energy: -50.840
Base-Backbone interact. energy: -0.487
local terms energy: -94.837796
where:
bonds (distance) C4'-P energy: -28.282
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -585.049502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.049502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.049502 (E_RNA)
where:
Base-Base interactions energy: -404.043
where: short stacking energy: -181.004
Base-Backbone interact. energy: -1.157
local terms energy: -179.849691
where:
bonds (distance) C4'-P energy: -25.808
bonds (distance) P-C4' energy: -33.968
flat angles C4'-P-C4' energy: -38.451
flat angles P-C4'-P energy: -29.942
tors. eta vs tors. theta energy: -51.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -548.142993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.142993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.142993 (E_RNA)
where:
Base-Base interactions energy: -370.958
where: short stacking energy: -186.660
Base-Backbone interact. energy: 0.280
local terms energy: -177.464920
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -34.636
flat angles C4'-P-C4' energy: -36.540
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -53.022
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: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -516.244893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.244893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.244893 (E_RNA)
where:
Base-Base interactions energy: -348.598
where: short stacking energy: -171.868
Base-Backbone interact. energy: -1.851
local terms energy: -165.796077
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -28.690
flat angles C4'-P-C4' energy: -31.660
flat angles P-C4'-P energy: -29.128
tors. eta vs tors. theta energy: -50.220
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: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -491.833421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.833421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.833421 (E_RNA)
where:
Base-Base interactions energy: -325.616
where: short stacking energy: -161.894
Base-Backbone interact. energy: -0.259
local terms energy: -165.958861
where:
bonds (distance) C4'-P energy: -32.532
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -37.697
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: -45.672
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: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -464.362394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.362394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.362394 (E_RNA)
where:
Base-Base interactions energy: -323.747
where: short stacking energy: -158.904
Base-Backbone interact. energy: -0.760
local terms energy: -139.855180
where:
bonds (distance) C4'-P energy: -26.552
bonds (distance) P-C4' energy: -30.271
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -34.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -430.196083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.196083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.196083 (E_RNA)
where:
Base-Base interactions energy: -290.638
where: short stacking energy: -121.270
Base-Backbone interact. energy: -0.811
local terms energy: -138.747389
where:
bonds (distance) C4'-P energy: -31.696
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -31.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -197.544947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.544947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.544947 (E_RNA)
where:
Base-Base interactions energy: -85.872
where: short stacking energy: -85.972
Base-Backbone interact. energy: -0.236
local terms energy: -111.436653
where:
bonds (distance) C4'-P energy: -27.179
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -14.008
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: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -184.964351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.964351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.964351 (E_RNA)
where:
Base-Base interactions energy: -87.618
where: short stacking energy: -72.873
Base-Backbone interact. energy: -0.240
local terms energy: -97.106392
where:
bonds (distance) C4'-P energy: -33.026
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -217.544070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.544070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.544070 (E_RNA)
where:
Base-Base interactions energy: -117.031
where: short stacking energy: -80.849
Base-Backbone interact. energy: -0.733
local terms energy: -99.779987
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -14.061
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: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -158.601668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.601668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.601668 (E_RNA)
where:
Base-Base interactions energy: -65.342
where: short stacking energy: -57.779
Base-Backbone interact. energy: 1.518
local terms energy: -94.778114
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -30.574
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -11.722
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: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -592.167340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.167340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.167340 (E_RNA)
where:
Base-Base interactions energy: -408.473
where: short stacking energy: -181.224
Base-Backbone interact. energy: -0.609
local terms energy: -183.085863
where:
bonds (distance) C4'-P energy: -29.134
bonds (distance) P-C4' energy: -35.265
flat angles C4'-P-C4' energy: -38.797
flat angles P-C4'-P energy: -29.831
tors. eta vs tors. theta energy: -50.059
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: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -546.507764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.507764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.507764 (E_RNA)
where:
Base-Base interactions energy: -373.295
where: short stacking energy: -189.276
Base-Backbone interact. energy: -0.324
local terms energy: -172.888414
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -29.853
flat angles C4'-P-C4' energy: -32.393
flat angles P-C4'-P energy: -25.616
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: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -495.726697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.726697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.726697 (E_RNA)
where:
Base-Base interactions energy: -324.784
where: short stacking energy: -155.578
Base-Backbone interact. energy: -1.030
local terms energy: -169.912668
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -37.436
flat angles P-C4'-P energy: -31.188
tors. eta vs tors. theta energy: -44.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -511.739765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.739765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.739765 (E_RNA)
where:
Base-Base interactions energy: -350.938
where: short stacking energy: -171.965
Base-Backbone interact. energy: -0.525
local terms energy: -160.277009
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -34.889
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -52.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -457.248426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.248426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.248426 (E_RNA)
where:
Base-Base interactions energy: -309.319
where: short stacking energy: -147.040
Base-Backbone interact. energy: -0.355
local terms energy: -147.573999
where:
bonds (distance) C4'-P energy: -26.099
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -42.979
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: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -439.197677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.197677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.197677 (E_RNA)
where:
Base-Base interactions energy: -289.955
where: short stacking energy: -141.770
Base-Backbone interact. energy: -0.555
local terms energy: -148.687344
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -28.559
flat angles P-C4'-P energy: -20.715
tors. eta vs tors. theta energy: -35.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -200.839367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.839367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.839367 (E_RNA)
where:
Base-Base interactions energy: -85.701
where: short stacking energy: -79.996
Base-Backbone interact. energy: -0.726
local terms energy: -114.412423
where:
bonds (distance) C4'-P energy: -30.297
bonds (distance) P-C4' energy: -30.546
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -10.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -161.706202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.706202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.706202 (E_RNA)
where:
Base-Base interactions energy: -57.624
where: short stacking energy: -56.071
Base-Backbone interact. energy: -0.629
local terms energy: -103.452943
where:
bonds (distance) C4'-P energy: -22.427
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -171.793921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.793921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.793921 (E_RNA)
where:
Base-Base interactions energy: -80.026
where: short stacking energy: -64.122
Base-Backbone interact. energy: -1.017
local terms energy: -90.751453
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -32.424
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -2.674
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: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -168.599035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.599035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.599035 (E_RNA)
where:
Base-Base interactions energy: -70.475
where: short stacking energy: -47.289
Base-Backbone interact. energy: -0.282
local terms energy: -97.841169
where:
bonds (distance) C4'-P energy: -28.778
bonds (distance) P-C4' energy: -28.684
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -1.215
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: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -595.285532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.285532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.285532 (E_RNA)
where:
Base-Base interactions energy: -410.159
where: short stacking energy: -178.304
Base-Backbone interact. energy: -0.662
local terms energy: -184.464042
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -39.668
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -50.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -544.448739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.448739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.448739 (E_RNA)
where:
Base-Base interactions energy: -369.999
where: short stacking energy: -183.078
Base-Backbone interact. energy: -0.474
local terms energy: -173.975108
where:
bonds (distance) C4'-P energy: -25.507
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -37.979
flat angles P-C4'-P energy: -27.673
tors. eta vs tors. theta energy: -48.874
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: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -502.051697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.051697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.051697 (E_RNA)
where:
Base-Base interactions energy: -334.643
where: short stacking energy: -168.114
Base-Backbone interact. energy: -0.486
local terms energy: -166.922207
where:
bonds (distance) C4'-P energy: -32.988
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -26.838
tors. eta vs tors. theta energy: -47.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -524.239212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.239212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.239212 (E_RNA)
where:
Base-Base interactions energy: -356.893
where: short stacking energy: -182.267
Base-Backbone interact. energy: -0.304
local terms energy: -167.041991
where:
bonds (distance) C4'-P energy: -32.412
bonds (distance) P-C4' energy: -29.570
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -23.756
tors. eta vs tors. theta energy: -45.084
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: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -498.124395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.124395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.124395 (E_RNA)
where:
Base-Base interactions energy: -333.723
where: short stacking energy: -152.210
Base-Backbone interact. energy: 0.128
local terms energy: -164.529502
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -30.527
flat angles C4'-P-C4' energy: -30.682
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -50.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -431.796110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.796110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.796110 (E_RNA)
where:
Base-Base interactions energy: -289.593
where: short stacking energy: -141.699
Base-Backbone interact. energy: -1.012
local terms energy: -141.190705
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -38.736
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -39.063
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: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -189.658678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.658678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.658678 (E_RNA)
where:
Base-Base interactions energy: -77.279
where: short stacking energy: -77.279
Base-Backbone interact. energy: 0.020
local terms energy: -112.399132
where:
bonds (distance) C4'-P energy: -30.665
bonds (distance) P-C4' energy: -29.529
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -181.692656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.692656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.692656 (E_RNA)
where:
Base-Base interactions energy: -65.015
where: short stacking energy: -53.541
Base-Backbone interact. energy: -0.805
local terms energy: -115.873335
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -36.377
flat angles C4'-P-C4' energy: -32.982
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -166.842162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.842162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.842162 (E_RNA)
where:
Base-Base interactions energy: -76.873
where: short stacking energy: -54.242
Base-Backbone interact. energy: -0.115
local terms energy: -89.854855
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -24.447
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -3.471
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: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -157.436613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.436613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.436613 (E_RNA)
where:
Base-Base interactions energy: -64.518
where: short stacking energy: -57.193
Base-Backbone interact. energy: -1.380
local terms energy: -91.538990
where:
bonds (distance) C4'-P energy: -26.991
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: 2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -591.875009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.875009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.875009 (E_RNA)
where:
Base-Base interactions energy: -404.343
where: short stacking energy: -188.937
Base-Backbone interact. energy: -0.077
local terms energy: -187.454882
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -37.152
flat angles C4'-P-C4' energy: -38.345
flat angles P-C4'-P energy: -26.293
tors. eta vs tors. theta energy: -52.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -551.290081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.290081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.290081 (E_RNA)
where:
Base-Base interactions energy: -369.014
where: short stacking energy: -188.713
Base-Backbone interact. energy: -0.597
local terms energy: -181.679316
where:
bonds (distance) C4'-P energy: -35.666
bonds (distance) P-C4' energy: -32.918
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -27.043
tors. eta vs tors. theta energy: -56.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -535.046863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.046863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.046863 (E_RNA)
where:
Base-Base interactions energy: -369.446
where: short stacking energy: -184.313
Base-Backbone interact. energy: -0.310
local terms energy: -165.290896
where:
bonds (distance) C4'-P energy: -28.802
bonds (distance) P-C4' energy: -30.093
flat angles C4'-P-C4' energy: -37.293
flat angles P-C4'-P energy: -24.397
tors. eta vs tors. theta energy: -44.705
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: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -484.075924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.075924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.075924 (E_RNA)
where:
Base-Base interactions energy: -326.709
where: short stacking energy: -155.220
Base-Backbone interact. energy: -0.083
local terms energy: -157.284102
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -42.930
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: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -479.383626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.383626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.383626 (E_RNA)
where:
Base-Base interactions energy: -316.555
where: short stacking energy: -148.299
Base-Backbone interact. energy: -0.334
local terms energy: -162.495149
where:
bonds (distance) C4'-P energy: -34.195
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -26.089
tors. eta vs tors. theta energy: -38.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -453.398086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.398086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.398086 (E_RNA)
where:
Base-Base interactions energy: -289.321
where: short stacking energy: -131.553
Base-Backbone interact. energy: 0.849
local terms energy: -164.926112
where:
bonds (distance) C4'-P energy: -33.085
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -37.828
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -45.951
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: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -185.957739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.957739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.957739 (E_RNA)
where:
Base-Base interactions energy: -85.003
where: short stacking energy: -76.455
Base-Backbone interact. energy: -0.067
local terms energy: -100.887500
where:
bonds (distance) C4'-P energy: -26.886
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -30.555
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -9.763
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: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -185.189121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.189121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.189121 (E_RNA)
where:
Base-Base interactions energy: -88.374
where: short stacking energy: -68.682
Base-Backbone interact. energy: 0.860
local terms energy: -97.675002
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -34.754
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -196.105231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.105231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.105231 (E_RNA)
where:
Base-Base interactions energy: -97.170
where: short stacking energy: -69.295
Base-Backbone interact. energy: -2.143
local terms energy: -96.792261
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -29.396
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -3.773
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: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -155.042923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.042923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.042923 (E_RNA)
where:
Base-Base interactions energy: -59.768
where: short stacking energy: -57.386
Base-Backbone interact. energy: -0.698
local terms energy: -94.577559
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -24.077
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -585.141921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.141921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.141921 (E_RNA)
where:
Base-Base interactions energy: -403.085
where: short stacking energy: -185.080
Base-Backbone interact. energy: -0.003
local terms energy: -182.053685
where:
bonds (distance) C4'-P energy: -27.953
bonds (distance) P-C4' energy: -38.434
flat angles C4'-P-C4' energy: -37.005
flat angles P-C4'-P energy: -28.628
tors. eta vs tors. theta energy: -50.034
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: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -529.579675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.579675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.579675 (E_RNA)
where:
Base-Base interactions energy: -351.050
where: short stacking energy: -172.202
Base-Backbone interact. energy: -0.430
local terms energy: -178.099221
where:
bonds (distance) C4'-P energy: -31.324
bonds (distance) P-C4' energy: -35.056
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -26.892
tors. eta vs tors. theta energy: -46.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -538.898511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.898511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.898511 (E_RNA)
where:
Base-Base interactions energy: -362.507
where: short stacking energy: -179.496
Base-Backbone interact. energy: -0.303
local terms energy: -176.088873
where:
bonds (distance) C4'-P energy: -29.130
bonds (distance) P-C4' energy: -27.328
flat angles C4'-P-C4' energy: -36.543
flat angles P-C4'-P energy: -29.512
tors. eta vs tors. theta energy: -53.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -474.414466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.414466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.414466 (E_RNA)
where:
Base-Base interactions energy: -313.621
where: short stacking energy: -155.796
Base-Backbone interact. energy: -0.612
local terms energy: -160.181305
where:
bonds (distance) C4'-P energy: -33.213
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -34.949
flat angles P-C4'-P energy: -23.991
tors. eta vs tors. theta energy: -40.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -467.493428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.493428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.493428 (E_RNA)
where:
Base-Base interactions energy: -306.085
where: short stacking energy: -129.562
Base-Backbone interact. energy: -0.555
local terms energy: -160.853348
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -32.923
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -37.384
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: 171
Temperature: 1.150000
Total energy: -444.320402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.320402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.320402 (E_RNA)
where:
Base-Base interactions energy: -301.706
where: short stacking energy: -144.338
Base-Backbone interact. energy: -0.429
local terms energy: -142.185454
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -26.989
flat angles C4'-P-C4' energy: -33.776
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -38.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -239.035072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.035072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.035072 (E_RNA)
where:
Base-Base interactions energy: -122.050
where: short stacking energy: -89.308
Base-Backbone interact. energy: 0.971
local terms energy: -117.955291
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -29.872
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -16.717
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: 171
Temperature: 1.250000
Total energy: -179.823503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.823503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.823503 (E_RNA)
where:
Base-Base interactions energy: -63.814
where: short stacking energy: -55.136
Base-Backbone interact. energy: -0.346
local terms energy: -115.663724
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -31.772
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -23.813
tors. eta vs tors. theta energy: -8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -182.101612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.101612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.101612 (E_RNA)
where:
Base-Base interactions energy: -78.620
where: short stacking energy: -74.219
Base-Backbone interact. energy: 3.245
local terms energy: -106.727366
where:
bonds (distance) C4'-P energy: -30.670
bonds (distance) P-C4' energy: -27.048
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -8.799
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: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -164.285040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.285040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.285040 (E_RNA)
where:
Base-Base interactions energy: -61.432
where: short stacking energy: -55.666
Base-Backbone interact. energy: -0.805
local terms energy: -102.047821
where:
bonds (distance) C4'-P energy: -26.096
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -3.315
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: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -583.676999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.676999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.676999 (E_RNA)
where:
Base-Base interactions energy: -401.555
where: short stacking energy: -176.553
Base-Backbone interact. energy: -0.402
local terms energy: -181.719656
where:
bonds (distance) C4'-P energy: -36.932
bonds (distance) P-C4' energy: -33.999
flat angles C4'-P-C4' energy: -33.372
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -50.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -534.590491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.590491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.590491 (E_RNA)
where:
Base-Base interactions energy: -358.129
where: short stacking energy: -173.677
Base-Backbone interact. energy: -0.621
local terms energy: -175.840500
where:
bonds (distance) C4'-P energy: -29.986
bonds (distance) P-C4' energy: -33.113
flat angles C4'-P-C4' energy: -39.652
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: -47.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -496.317958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.317958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.317958 (E_RNA)
where:
Base-Base interactions energy: -329.982
where: short stacking energy: -157.552
Base-Backbone interact. energy: -0.064
local terms energy: -166.271408
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -35.337
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -46.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -524.378959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.378959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.378959 (E_RNA)
where:
Base-Base interactions energy: -357.653
where: short stacking energy: -170.355
Base-Backbone interact. energy: 0.436
local terms energy: -167.161296
where:
bonds (distance) C4'-P energy: -27.205
bonds (distance) P-C4' energy: -33.328
flat angles C4'-P-C4' energy: -28.348
flat angles P-C4'-P energy: -26.320
tors. eta vs tors. theta energy: -51.960
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: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -491.522813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.522813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.522813 (E_RNA)
where:
Base-Base interactions energy: -332.224
where: short stacking energy: -149.815
Base-Backbone interact. energy: -0.797
local terms energy: -158.501614
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -33.412
flat angles C4'-P-C4' energy: -30.672
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -41.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -442.391487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.391487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.391487 (E_RNA)
where:
Base-Base interactions energy: -299.461
where: short stacking energy: -150.295
Base-Backbone interact. energy: -0.784
local terms energy: -142.146312
where:
bonds (distance) C4'-P energy: -25.976
bonds (distance) P-C4' energy: -26.391
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -40.013
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: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -187.309867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.309867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.309867 (E_RNA)
where:
Base-Base interactions energy: -76.527
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.543
local terms energy: -110.239320
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -33.112
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -27.763
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -217.598613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.598613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.598613 (E_RNA)
where:
Base-Base interactions energy: -104.214
where: short stacking energy: -80.624
Base-Backbone interact. energy: -0.268
local terms energy: -113.116287
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -35.478
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -172.490405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.490405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.490405 (E_RNA)
where:
Base-Base interactions energy: -72.989
where: short stacking energy: -68.826
Base-Backbone interact. energy: -0.449
local terms energy: -99.051901
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -28.034
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -4.358
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: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -155.780319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.780319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.780319 (E_RNA)
where:
Base-Base interactions energy: -70.640
where: short stacking energy: -49.149
Base-Backbone interact. energy: -0.052
local terms energy: -85.088272
where:
bonds (distance) C4'-P energy: -27.697
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -584.692907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.692907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.692907 (E_RNA)
where:
Base-Base interactions energy: -403.298
where: short stacking energy: -176.752
Base-Backbone interact. energy: -0.525
local terms energy: -180.870008
where:
bonds (distance) C4'-P energy: -29.366
bonds (distance) P-C4' energy: -31.102
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -29.287
tors. eta vs tors. theta energy: -52.331
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: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -534.337910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.337910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.337910 (E_RNA)
where:
Base-Base interactions energy: -365.716
where: short stacking energy: -175.238
Base-Backbone interact. energy: -1.186
local terms energy: -167.435509
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -37.201
flat angles P-C4'-P energy: -25.368
tors. eta vs tors. theta energy: -49.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -499.021430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.021430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.021430 (E_RNA)
where:
Base-Base interactions energy: -328.047
where: short stacking energy: -169.209
Base-Backbone interact. energy: -1.080
local terms energy: -169.894650
where:
bonds (distance) C4'-P energy: -34.677
bonds (distance) P-C4' energy: -30.724
flat angles C4'-P-C4' energy: -34.626
flat angles P-C4'-P energy: -23.273
tors. eta vs tors. theta energy: -46.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -521.819934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.819934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.819934 (E_RNA)
where:
Base-Base interactions energy: -352.463
where: short stacking energy: -166.487
Base-Backbone interact. energy: -2.027
local terms energy: -167.329790
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -31.902
flat angles C4'-P-C4' energy: -33.844
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -52.283
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: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -494.926719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.926719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.926719 (E_RNA)
where:
Base-Base interactions energy: -332.726
where: short stacking energy: -156.220
Base-Backbone interact. energy: -2.004
local terms energy: -160.196908
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -35.577
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -42.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -441.485089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.485089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.485089 (E_RNA)
where:
Base-Base interactions energy: -292.742
where: short stacking energy: -138.721
Base-Backbone interact. energy: 0.206
local terms energy: -148.948382
where:
bonds (distance) C4'-P energy: -27.566
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -35.043
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -41.335
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: 173
Temperature: 1.200000
Total energy: -248.288330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.288330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.288330 (E_RNA)
where:
Base-Base interactions energy: -137.699
where: short stacking energy: -89.726
Base-Backbone interact. energy: -0.212
local terms energy: -110.377705
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -29.978
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -200.947901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.947901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.947901 (E_RNA)
where:
Base-Base interactions energy: -93.901
where: short stacking energy: -78.550
Base-Backbone interact. energy: -0.510
local terms energy: -106.536781
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -29.988
flat angles C4'-P-C4' energy: -34.373
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -9.550
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: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -162.138725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.138725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.138725 (E_RNA)
where:
Base-Base interactions energy: -70.937
where: short stacking energy: -70.937
Base-Backbone interact. energy: -0.284
local terms energy: -90.918019
where:
bonds (distance) C4'-P energy: -27.768
bonds (distance) P-C4' energy: -30.467
flat angles C4'-P-C4' energy: -23.026
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -1.547
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: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -159.106794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.106794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.106794 (E_RNA)
where:
Base-Base interactions energy: -77.114
where: short stacking energy: -40.479
Base-Backbone interact. energy: 1.375
local terms energy: -83.368082
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -30.228
flat angles C4'-P-C4' energy: -24.797
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: 4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -585.616732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.616732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.616732 (E_RNA)
where:
Base-Base interactions energy: -399.900
where: short stacking energy: -176.790
Base-Backbone interact. energy: -0.476
local terms energy: -185.240429
where:
bonds (distance) C4'-P energy: -31.882
bonds (distance) P-C4' energy: -32.946
flat angles C4'-P-C4' energy: -40.150
flat angles P-C4'-P energy: -25.658
tors. eta vs tors. theta energy: -54.604
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: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -535.951165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.951165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.951165 (E_RNA)
where:
Base-Base interactions energy: -367.583
where: short stacking energy: -166.214
Base-Backbone interact. energy: -2.048
local terms energy: -166.320159
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -31.289
flat angles C4'-P-C4' energy: -38.409
flat angles P-C4'-P energy: -16.992
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: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -532.063052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.063052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.063052 (E_RNA)
where:
Base-Base interactions energy: -356.586
where: short stacking energy: -170.293
Base-Backbone interact. energy: -0.865
local terms energy: -174.612849
where:
bonds (distance) C4'-P energy: -31.506
bonds (distance) P-C4' energy: -34.531
flat angles C4'-P-C4' energy: -34.009
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -48.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -485.749722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.749722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.749722 (E_RNA)
where:
Base-Base interactions energy: -315.981
where: short stacking energy: -143.180
Base-Backbone interact. energy: -0.683
local terms energy: -169.085121
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -31.124
flat angles C4'-P-C4' energy: -37.231
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: -44.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -499.499267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.499267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.499267 (E_RNA)
where:
Base-Base interactions energy: -336.242
where: short stacking energy: -148.425
Base-Backbone interact. energy: 1.285
local terms energy: -164.542047
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -34.064
flat angles C4'-P-C4' energy: -30.110
flat angles P-C4'-P energy: -28.103
tors. eta vs tors. theta energy: -45.343
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: 174
Temperature: 1.150000
Total energy: -422.483445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.483445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.483445 (E_RNA)
where:
Base-Base interactions energy: -291.286
where: short stacking energy: -128.808
Base-Backbone interact. energy: -0.081
local terms energy: -131.116190
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -20.365
tors. eta vs tors. theta energy: -39.685
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: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -239.237956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.237956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.237956 (E_RNA)
where:
Base-Base interactions energy: -115.140
where: short stacking energy: -78.900
Base-Backbone interact. energy: 0.610
local terms energy: -124.707843
where:
bonds (distance) C4'-P energy: -30.641
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -26.912
flat angles P-C4'-P energy: -20.001
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -216.051646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.051646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.051646 (E_RNA)
where:
Base-Base interactions energy: -113.739
where: short stacking energy: -81.658
Base-Backbone interact. energy: -2.013
local terms energy: -100.299293
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -8.444
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: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -165.375290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.375290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.375290 (E_RNA)
where:
Base-Base interactions energy: -71.805
where: short stacking energy: -57.900
Base-Backbone interact. energy: 0.120
local terms energy: -93.689586
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -30.391
flat angles P-C4'-P energy: -19.131
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: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -169.268788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.268788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.268788 (E_RNA)
where:
Base-Base interactions energy: -67.518
where: short stacking energy: -66.778
Base-Backbone interact. energy: 2.804
local terms energy: -104.554374
where:
bonds (distance) C4'-P energy: -28.450
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -586.667405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.667405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.667405 (E_RNA)
where:
Base-Base interactions energy: -404.151
where: short stacking energy: -177.330
Base-Backbone interact. energy: -0.315
local terms energy: -182.201258
where:
bonds (distance) C4'-P energy: -31.217
bonds (distance) P-C4' energy: -37.144
flat angles C4'-P-C4' energy: -37.949
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -51.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -541.939568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.939568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.939568 (E_RNA)
where:
Base-Base interactions energy: -368.825
where: short stacking energy: -169.616
Base-Backbone interact. energy: -0.735
local terms energy: -172.379489
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -36.582
flat angles P-C4'-P energy: -28.709
tors. eta vs tors. theta energy: -45.107
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: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -519.337911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.337911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.337911 (E_RNA)
where:
Base-Base interactions energy: -353.678
where: short stacking energy: -181.533
Base-Backbone interact. energy: 0.764
local terms energy: -166.423494
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -33.887
flat angles P-C4'-P energy: -27.193
tors. eta vs tors. theta energy: -49.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -508.555661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.555661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.555661 (E_RNA)
where:
Base-Base interactions energy: -338.754
where: short stacking energy: -156.527
Base-Backbone interact. energy: -0.428
local terms energy: -169.373408
where:
bonds (distance) C4'-P energy: -30.054
bonds (distance) P-C4' energy: -37.098
flat angles C4'-P-C4' energy: -31.429
flat angles P-C4'-P energy: -25.305
tors. eta vs tors. theta energy: -45.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -480.669859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.669859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.669859 (E_RNA)
where:
Base-Base interactions energy: -317.634
where: short stacking energy: -135.370
Base-Backbone interact. energy: -0.387
local terms energy: -162.648969
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -32.331
flat angles C4'-P-C4' energy: -34.902
flat angles P-C4'-P energy: -23.799
tors. eta vs tors. theta energy: -37.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -419.142278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.142278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.142278 (E_RNA)
where:
Base-Base interactions energy: -278.725
where: short stacking energy: -122.486
Base-Backbone interact. energy: -0.073
local terms energy: -140.344725
where:
bonds (distance) C4'-P energy: -33.161
bonds (distance) P-C4' energy: -32.562
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -30.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -228.419020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.419020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.419020 (E_RNA)
where:
Base-Base interactions energy: -124.691
where: short stacking energy: -84.069
Base-Backbone interact. energy: -0.498
local terms energy: -103.230932
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -29.508
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -1.920
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: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -197.296881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.296881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.296881 (E_RNA)
where:
Base-Base interactions energy: -95.471
where: short stacking energy: -75.585
Base-Backbone interact. energy: -0.444
local terms energy: -101.381187
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -196.829537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.829537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.829537 (E_RNA)
where:
Base-Base interactions energy: -93.628
where: short stacking energy: -67.070
Base-Backbone interact. energy: -0.435
local terms energy: -102.766154
where:
bonds (distance) C4'-P energy: -29.510
bonds (distance) P-C4' energy: -31.394
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -162.189441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.189441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.189441 (E_RNA)
where:
Base-Base interactions energy: -70.642
where: short stacking energy: -68.625
Base-Backbone interact. energy: -0.118
local terms energy: -91.429942
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -25.539
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -592.662207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.662207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.662207 (E_RNA)
where:
Base-Base interactions energy: -405.319
where: short stacking energy: -186.948
Base-Backbone interact. energy: -0.611
local terms energy: -186.731800
where:
bonds (distance) C4'-P energy: -32.449
bonds (distance) P-C4' energy: -37.170
flat angles C4'-P-C4' energy: -36.413
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: -53.775
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: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -539.479402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.479402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.479402 (E_RNA)
where:
Base-Base interactions energy: -356.673
where: short stacking energy: -164.448
Base-Backbone interact. energy: -1.968
local terms energy: -180.838292
where:
bonds (distance) C4'-P energy: -35.206
bonds (distance) P-C4' energy: -33.884
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: -50.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -529.116534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.116534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.116534 (E_RNA)
where:
Base-Base interactions energy: -356.636
where: short stacking energy: -176.435
Base-Backbone interact. energy: -1.256
local terms energy: -171.224722
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -33.767
flat angles C4'-P-C4' energy: -35.808
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -55.026
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: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -509.143563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.143563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.143563 (E_RNA)
where:
Base-Base interactions energy: -343.785
where: short stacking energy: -166.858
Base-Backbone interact. energy: -0.020
local terms energy: -165.338385
where:
bonds (distance) C4'-P energy: -33.013
bonds (distance) P-C4' energy: -28.081
flat angles C4'-P-C4' energy: -34.402
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -48.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -471.613008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.613008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.613008 (E_RNA)
where:
Base-Base interactions energy: -319.306
where: short stacking energy: -150.407
Base-Backbone interact. energy: -0.862
local terms energy: -151.444625
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -30.617
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -24.216
tors. eta vs tors. theta energy: -44.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -460.163213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.163213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.163213 (E_RNA)
where:
Base-Base interactions energy: -317.627
where: short stacking energy: -146.770
Base-Backbone interact. energy: -0.133
local terms energy: -142.402484
where:
bonds (distance) C4'-P energy: -32.170
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -35.072
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -41.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -301.222830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.222830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.222830 (E_RNA)
where:
Base-Base interactions energy: -185.664
where: short stacking energy: -87.910
Base-Backbone interact. energy: -1.296
local terms energy: -114.262705
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -27.659
flat angles P-C4'-P energy: -19.505
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: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -206.603775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.603775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.603775 (E_RNA)
where:
Base-Base interactions energy: -103.596
where: short stacking energy: -65.784
Base-Backbone interact. energy: -0.623
local terms energy: -102.384882
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -32.791
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -181.268820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.268820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.268820 (E_RNA)
where:
Base-Base interactions energy: -72.367
where: short stacking energy: -64.992
Base-Backbone interact. energy: -0.176
local terms energy: -108.725818
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -33.593
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -162.760470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.760470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.760470 (E_RNA)
where:
Base-Base interactions energy: -72.771
where: short stacking energy: -61.418
Base-Backbone interact. energy: -0.503
local terms energy: -89.485796
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -19.771
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -591.120299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.120299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.120299 (E_RNA)
where:
Base-Base interactions energy: -426.089
where: short stacking energy: -172.974
Base-Backbone interact. energy: -0.178
local terms energy: -164.852587
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -25.156
tors. eta vs tors. theta energy: -42.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -543.496294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.496294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.496294 (E_RNA)
where:
Base-Base interactions energy: -368.215
where: short stacking energy: -181.526
Base-Backbone interact. energy: -0.575
local terms energy: -174.706190
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -33.226
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -24.134
tors. eta vs tors. theta energy: -54.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -517.224078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.224078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.224078 (E_RNA)
where:
Base-Base interactions energy: -348.666
where: short stacking energy: -166.145
Base-Backbone interact. energy: -0.986
local terms energy: -167.571732
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -36.345
flat angles C4'-P-C4' energy: -28.960
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: -47.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -465.400960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.400960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.400960 (E_RNA)
where:
Base-Base interactions energy: -308.351
where: short stacking energy: -146.712
Base-Backbone interact. energy: -0.074
local terms energy: -156.976470
where:
bonds (distance) C4'-P energy: -23.565
bonds (distance) P-C4' energy: -33.965
flat angles C4'-P-C4' energy: -36.706
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -43.102
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: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -508.602813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.602813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.602813 (E_RNA)
where:
Base-Base interactions energy: -344.210
where: short stacking energy: -165.369
Base-Backbone interact. energy: -0.024
local terms energy: -164.368783
where:
bonds (distance) C4'-P energy: -33.526
bonds (distance) P-C4' energy: -29.538
flat angles C4'-P-C4' energy: -33.516
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: -46.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -474.270049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.270049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.270049 (E_RNA)
where:
Base-Base interactions energy: -317.016
where: short stacking energy: -144.547
Base-Backbone interact. energy: -1.582
local terms energy: -155.671772
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -32.595
flat angles C4'-P-C4' energy: -38.028
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -40.021
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: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -317.202233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.202233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.202233 (E_RNA)
where:
Base-Base interactions energy: -186.177
where: short stacking energy: -94.007
Base-Backbone interact. energy: -0.744
local terms energy: -130.280865
where:
bonds (distance) C4'-P energy: -26.743
bonds (distance) P-C4' energy: -33.752
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -17.904
tors. eta vs tors. theta energy: -23.833
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: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -239.893780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.893780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.893780 (E_RNA)
where:
Base-Base interactions energy: -126.787
where: short stacking energy: -77.517
Base-Backbone interact. energy: 3.217
local terms energy: -116.323468
where:
bonds (distance) C4'-P energy: -25.160
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -35.266
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -9.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -183.356008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.356008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.356008 (E_RNA)
where:
Base-Base interactions energy: -95.498
where: short stacking energy: -56.007
Base-Backbone interact. energy: -0.140
local terms energy: -87.717469
where:
bonds (distance) C4'-P energy: -29.030
bonds (distance) P-C4' energy: -28.403
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -5.260
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: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -149.482456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.482456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.482456 (E_RNA)
where:
Base-Base interactions energy: -59.855
where: short stacking energy: -49.505
Base-Backbone interact. energy: 0.880
local terms energy: -90.508231
where:
bonds (distance) C4'-P energy: -33.528
bonds (distance) P-C4' energy: -28.106
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -1.285
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -584.840775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.840775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.840775 (E_RNA)
where:
Base-Base interactions energy: -417.411
where: short stacking energy: -171.574
Base-Backbone interact. energy: -0.570
local terms energy: -166.859523
where:
bonds (distance) C4'-P energy: -31.429
bonds (distance) P-C4' energy: -30.479
flat angles C4'-P-C4' energy: -37.384
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: -43.622
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: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -555.386206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.386206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.386206 (E_RNA)
where:
Base-Base interactions energy: -362.035
where: short stacking energy: -187.280
Base-Backbone interact. energy: -0.673
local terms energy: -192.678603
where:
bonds (distance) C4'-P energy: -34.376
bonds (distance) P-C4' energy: -36.882
flat angles C4'-P-C4' energy: -39.602
flat angles P-C4'-P energy: -28.300
tors. eta vs tors. theta energy: -53.518
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: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -536.911553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.911553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.911553 (E_RNA)
where:
Base-Base interactions energy: -369.396
where: short stacking energy: -177.243
Base-Backbone interact. energy: -0.151
local terms energy: -167.364593
where:
bonds (distance) C4'-P energy: -23.988
bonds (distance) P-C4' energy: -32.133
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -28.126
tors. eta vs tors. theta energy: -48.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -479.211771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.211771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.211771 (E_RNA)
where:
Base-Base interactions energy: -312.005
where: short stacking energy: -147.255
Base-Backbone interact. energy: -0.834
local terms energy: -166.372814
where:
bonds (distance) C4'-P energy: -30.022
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -36.317
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -44.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -509.087779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.087779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.087779 (E_RNA)
where:
Base-Base interactions energy: -347.871
where: short stacking energy: -161.253
Base-Backbone interact. energy: -0.206
local terms energy: -161.011021
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -31.800
flat angles C4'-P-C4' energy: -32.932
flat angles P-C4'-P energy: -21.863
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: 6, replica: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -453.716551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.716551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.716551 (E_RNA)
where:
Base-Base interactions energy: -316.813
where: short stacking energy: -139.334
Base-Backbone interact. energy: -0.294
local terms energy: -136.609242
where:
bonds (distance) C4'-P energy: -29.366
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -23.455
tors. eta vs tors. theta energy: -31.932
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: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -276.455030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.455030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.455030 (E_RNA)
where:
Base-Base interactions energy: -149.188
where: short stacking energy: -86.744
Base-Backbone interact. energy: -0.068
local terms energy: -127.198579
where:
bonds (distance) C4'-P energy: -32.664
bonds (distance) P-C4' energy: -34.462
flat angles C4'-P-C4' energy: -29.801
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -12.625
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: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -284.646930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.646930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.646930 (E_RNA)
where:
Base-Base interactions energy: -166.904
where: short stacking energy: -86.535
Base-Backbone interact. energy: -0.174
local terms energy: -117.568522
where:
bonds (distance) C4'-P energy: -29.119
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -174.226929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.226929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.226929 (E_RNA)
where:
Base-Base interactions energy: -69.743
where: short stacking energy: -60.785
Base-Backbone interact. energy: -0.721
local terms energy: -103.763313
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -31.525
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -156.840476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.840476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.840476 (E_RNA)
where:
Base-Base interactions energy: -50.248
where: short stacking energy: -48.451
Base-Backbone interact. energy: -1.476
local terms energy: -105.116879
where:
bonds (distance) C4'-P energy: -31.777
bonds (distance) P-C4' energy: -29.107
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -593.556197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.556197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.556197 (E_RNA)
where:
Base-Base interactions energy: -410.658
where: short stacking energy: -180.566
Base-Backbone interact. energy: -0.304
local terms energy: -182.594612
where:
bonds (distance) C4'-P energy: -33.688
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -35.057
flat angles P-C4'-P energy: -27.371
tors. eta vs tors. theta energy: -51.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -546.333607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.333607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.333607 (E_RNA)
where:
Base-Base interactions energy: -378.138
where: short stacking energy: -172.689
Base-Backbone interact. energy: -0.985
local terms energy: -167.211230
where:
bonds (distance) C4'-P energy: -26.845
bonds (distance) P-C4' energy: -26.342
flat angles C4'-P-C4' energy: -33.989
flat angles P-C4'-P energy: -24.231
tors. eta vs tors. theta energy: -55.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -527.684070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.684070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.684070 (E_RNA)
where:
Base-Base interactions energy: -358.386
where: short stacking energy: -174.002
Base-Backbone interact. energy: -0.024
local terms energy: -169.274166
where:
bonds (distance) C4'-P energy: -26.094
bonds (distance) P-C4' energy: -36.625
flat angles C4'-P-C4' energy: -36.352
flat angles P-C4'-P energy: -24.859
tors. eta vs tors. theta energy: -45.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -503.662573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.662573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.662573 (E_RNA)
where:
Base-Base interactions energy: -337.046
where: short stacking energy: -164.568
Base-Backbone interact. energy: -0.771
local terms energy: -165.845769
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -35.734
flat angles C4'-P-C4' energy: -33.984
flat angles P-C4'-P energy: -20.868
tors. eta vs tors. theta energy: -45.200
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: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -437.442804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.442804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.442804 (E_RNA)
where:
Base-Base interactions energy: -298.539
where: short stacking energy: -149.925
Base-Backbone interact. energy: -0.405
local terms energy: -138.498781
where:
bonds (distance) C4'-P energy: -28.100
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -40.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -407.408833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.408833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.408833 (E_RNA)
where:
Base-Base interactions energy: -278.110
where: short stacking energy: -122.931
Base-Backbone interact. energy: 1.437
local terms energy: -130.735432
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -28.726
flat angles C4'-P-C4' energy: -27.653
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -27.645
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: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -248.989393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.989393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.989393 (E_RNA)
where:
Base-Base interactions energy: -125.128
where: short stacking energy: -79.044
Base-Backbone interact. energy: 0.471
local terms energy: -124.332139
where:
bonds (distance) C4'-P energy: -35.873
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -29.456
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -15.089
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: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -289.133942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.133942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.133942 (E_RNA)
where:
Base-Base interactions energy: -166.434
where: short stacking energy: -98.934
Base-Backbone interact. energy: 2.010
local terms energy: -124.709829
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -17.901
tors. eta vs tors. theta energy: -23.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -183.112478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.112478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.112478 (E_RNA)
where:
Base-Base interactions energy: -72.514
where: short stacking energy: -57.676
Base-Backbone interact. energy: -0.258
local terms energy: -110.341034
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -30.028
flat angles C4'-P-C4' energy: -34.035
flat angles P-C4'-P energy: -17.904
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -179.290914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.290914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.290914 (E_RNA)
where:
Base-Base interactions energy: -78.754
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.408
local terms energy: -100.128841
where:
bonds (distance) C4'-P energy: -28.233
bonds (distance) P-C4' energy: -30.567
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -550.885549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.885549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.885549 (E_RNA)
where:
Base-Base interactions energy: -388.506
where: short stacking energy: -183.352
Base-Backbone interact. energy: -0.213
local terms energy: -162.166377
where:
bonds (distance) C4'-P energy: -28.813
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -35.954
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -49.783
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: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -570.791390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.791390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.791390 (E_RNA)
where:
Base-Base interactions energy: -397.677
where: short stacking energy: -179.024
Base-Backbone interact. energy: -0.734
local terms energy: -172.380639
where:
bonds (distance) C4'-P energy: -34.185
bonds (distance) P-C4' energy: -26.727
flat angles C4'-P-C4' energy: -38.407
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -51.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -533.165408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.165408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.165408 (E_RNA)
where:
Base-Base interactions energy: -365.379
where: short stacking energy: -166.249
Base-Backbone interact. energy: -0.616
local terms energy: -167.170587
where:
bonds (distance) C4'-P energy: -30.728
bonds (distance) P-C4' energy: -27.186
flat angles C4'-P-C4' energy: -32.530
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -53.151
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: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -498.308000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.308000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.308000 (E_RNA)
where:
Base-Base interactions energy: -322.800
where: short stacking energy: -148.119
Base-Backbone interact. energy: -1.734
local terms energy: -173.773577
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -35.491
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -44.471
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: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -408.710646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.710646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.710646 (E_RNA)
where:
Base-Base interactions energy: -258.256
where: short stacking energy: -130.792
Base-Backbone interact. energy: -0.397
local terms energy: -150.057073
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -33.576
flat angles C4'-P-C4' energy: -33.361
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -35.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -438.914930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.914930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.914930 (E_RNA)
where:
Base-Base interactions energy: -299.456
where: short stacking energy: -142.876
Base-Backbone interact. energy: -0.420
local terms energy: -139.039323
where:
bonds (distance) C4'-P energy: -30.235
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -33.916
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: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -326.313912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.313912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.313912 (E_RNA)
where:
Base-Base interactions energy: -202.684
where: short stacking energy: -115.931
Base-Backbone interact. energy: -0.208
local terms energy: -123.421833
where:
bonds (distance) C4'-P energy: -26.165
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -25.079
tors. eta vs tors. theta energy: -28.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -235.759293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.759293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.759293 (E_RNA)
where:
Base-Base interactions energy: -131.194
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.333
local terms energy: -104.231776
where:
bonds (distance) C4'-P energy: -28.883
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -11.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -179.453128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.453128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.453128 (E_RNA)
where:
Base-Base interactions energy: -75.844
where: short stacking energy: -58.804
Base-Backbone interact. energy: 2.522
local terms energy: -106.131037
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -29.603
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -153.895687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.895687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.895687 (E_RNA)
where:
Base-Base interactions energy: -59.280
where: short stacking energy: -50.232
Base-Backbone interact. energy: 0.396
local terms energy: -95.011485
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -4.138
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: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -557.684002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.684002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.684002 (E_RNA)
where:
Base-Base interactions energy: -378.892
where: short stacking energy: -176.887
Base-Backbone interact. energy: -1.857
local terms energy: -176.935573
where:
bonds (distance) C4'-P energy: -34.056
bonds (distance) P-C4' energy: -35.844
flat angles C4'-P-C4' energy: -35.517
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: -45.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -574.781353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.781353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.781353 (E_RNA)
where:
Base-Base interactions energy: -410.839
where: short stacking energy: -184.984
Base-Backbone interact. energy: 0.399
local terms energy: -164.341549
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -37.524
flat angles C4'-P-C4' energy: -30.481
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -49.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -526.863337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.863337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.863337 (E_RNA)
where:
Base-Base interactions energy: -355.826
where: short stacking energy: -161.418
Base-Backbone interact. energy: 0.417
local terms energy: -171.454253
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -36.451
flat angles C4'-P-C4' energy: -37.131
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -46.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -514.456570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.456570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.456570 (E_RNA)
where:
Base-Base interactions energy: -345.097
where: short stacking energy: -149.976
Base-Backbone interact. energy: -1.426
local terms energy: -167.933769
where:
bonds (distance) C4'-P energy: -26.918
bonds (distance) P-C4' energy: -34.844
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -47.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -423.158933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.158933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.158933 (E_RNA)
where:
Base-Base interactions energy: -287.032
where: short stacking energy: -123.095
Base-Backbone interact. energy: -0.406
local terms energy: -135.721594
where:
bonds (distance) C4'-P energy: -29.068
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -31.884
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: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -437.173131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.173131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.173131 (E_RNA)
where:
Base-Base interactions energy: -288.117
where: short stacking energy: -133.530
Base-Backbone interact. energy: -1.284
local terms energy: -147.771530
where:
bonds (distance) C4'-P energy: -31.175
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -34.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -292.178034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.178034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.178034 (E_RNA)
where:
Base-Base interactions energy: -185.943
where: short stacking energy: -107.992
Base-Backbone interact. energy: 2.720
local terms energy: -108.955111
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -28.964
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -225.177197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.177197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.177197 (E_RNA)
where:
Base-Base interactions energy: -119.473
where: short stacking energy: -78.084
Base-Backbone interact. energy: 1.933
local terms energy: -107.636504
where:
bonds (distance) C4'-P energy: -28.192
bonds (distance) P-C4' energy: -32.072
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -9.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -227.502892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.502892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.502892 (E_RNA)
where:
Base-Base interactions energy: -133.826
where: short stacking energy: -78.569
Base-Backbone interact. energy: -0.472
local terms energy: -93.205192
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -6.189
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: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -160.013006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.013006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.013006 (E_RNA)
where:
Base-Base interactions energy: -79.243
where: short stacking energy: -78.798
Base-Backbone interact. energy: -0.533
local terms energy: -80.236754
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -1.502
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: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -588.831993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.831993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.831993 (E_RNA)
where:
Base-Base interactions energy: -403.046
where: short stacking energy: -189.978
Base-Backbone interact. energy: -0.418
local terms energy: -185.367899
where:
bonds (distance) C4'-P energy: -32.786
bonds (distance) P-C4' energy: -31.040
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -30.943
tors. eta vs tors. theta energy: -51.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -549.259825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.259825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.259825 (E_RNA)
where:
Base-Base interactions energy: -372.955
where: short stacking energy: -177.759
Base-Backbone interact. energy: -0.757
local terms energy: -175.547189
where:
bonds (distance) C4'-P energy: -31.605
bonds (distance) P-C4' energy: -32.830
flat angles C4'-P-C4' energy: -34.985
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -51.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -527.547651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.547651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.547651 (E_RNA)
where:
Base-Base interactions energy: -357.732
where: short stacking energy: -169.645
Base-Backbone interact. energy: -0.705
local terms energy: -169.110903
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -33.290
flat angles C4'-P-C4' energy: -34.232
flat angles P-C4'-P energy: -28.994
tors. eta vs tors. theta energy: -44.623
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: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -541.493681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.493681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.493681 (E_RNA)
where:
Base-Base interactions energy: -361.134
where: short stacking energy: -178.743
Base-Backbone interact. energy: -0.812
local terms energy: -179.547659
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -33.550
flat angles C4'-P-C4' energy: -35.829
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -51.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -457.896279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.896279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.896279 (E_RNA)
where:
Base-Base interactions energy: -313.325
where: short stacking energy: -140.543
Base-Backbone interact. energy: -0.164
local terms energy: -144.406712
where:
bonds (distance) C4'-P energy: -25.217
bonds (distance) P-C4' energy: -34.155
flat angles C4'-P-C4' energy: -33.294
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -28.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -436.285315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.285315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.285315 (E_RNA)
where:
Base-Base interactions energy: -292.241
where: short stacking energy: -146.387
Base-Backbone interact. energy: 0.536
local terms energy: -144.580169
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -31.069
flat angles C4'-P-C4' energy: -29.587
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -40.872
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: 182
Temperature: 1.200000
Total energy: -306.510953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.510953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.510953 (E_RNA)
where:
Base-Base interactions energy: -182.599
where: short stacking energy: -102.475
Base-Backbone interact. energy: -1.441
local terms energy: -122.470965
where:
bonds (distance) C4'-P energy: -24.930
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -26.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -173.728898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.728898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.728898 (E_RNA)
where:
Base-Base interactions energy: -66.170
where: short stacking energy: -52.577
Base-Backbone interact. energy: -1.284
local terms energy: -106.274914
where:
bonds (distance) C4'-P energy: -25.697
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -243.087393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.087393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.087393 (E_RNA)
where:
Base-Base interactions energy: -124.574
where: short stacking energy: -83.781
Base-Backbone interact. energy: 0.007
local terms energy: -118.519422
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -168.851633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.851633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.851633 (E_RNA)
where:
Base-Base interactions energy: -78.737
where: short stacking energy: -48.377
Base-Backbone interact. energy: 1.165
local terms energy: -91.279767
where:
bonds (distance) C4'-P energy: -26.072
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -25.030
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: -2.686
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: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -586.961753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.961753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.961753 (E_RNA)
where:
Base-Base interactions energy: -408.181
where: short stacking energy: -186.132
Base-Backbone interact. energy: -0.293
local terms energy: -178.487794
where:
bonds (distance) C4'-P energy: -34.168
bonds (distance) P-C4' energy: -33.591
flat angles C4'-P-C4' energy: -34.721
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -49.167
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: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -545.934369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.934369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.934369 (E_RNA)
where:
Base-Base interactions energy: -376.521
where: short stacking energy: -170.096
Base-Backbone interact. energy: 0.167
local terms energy: -169.580129
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -31.497
flat angles C4'-P-C4' energy: -41.103
flat angles P-C4'-P energy: -26.227
tors. eta vs tors. theta energy: -45.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -532.567887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.567887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.567887 (E_RNA)
where:
Base-Base interactions energy: -363.690
where: short stacking energy: -172.364
Base-Backbone interact. energy: -0.109
local terms energy: -168.768831
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -38.719
flat angles P-C4'-P energy: -27.627
tors. eta vs tors. theta energy: -48.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -493.700787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.700787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.700787 (E_RNA)
where:
Base-Base interactions energy: -331.176
where: short stacking energy: -145.097
Base-Backbone interact. energy: -1.281
local terms energy: -161.243209
where:
bonds (distance) C4'-P energy: -34.192
bonds (distance) P-C4' energy: -32.955
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -44.275
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: 183
Temperature: 1.100000
Total energy: -507.504396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.504396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.504396 (E_RNA)
where:
Base-Base interactions energy: -347.629
where: short stacking energy: -160.624
Base-Backbone interact. energy: -1.261
local terms energy: -158.614564
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -31.034
flat angles C4'-P-C4' energy: -35.112
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -47.154
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: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -449.973975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.973975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.973975 (E_RNA)
where:
Base-Base interactions energy: -292.075
where: short stacking energy: -137.845
Base-Backbone interact. energy: -0.355
local terms energy: -157.543937
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -22.583
tors. eta vs tors. theta energy: -40.266
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: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -305.617366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.617366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.617366 (E_RNA)
where:
Base-Base interactions energy: -177.325
where: short stacking energy: -93.946
Base-Backbone interact. energy: 0.505
local terms energy: -128.797439
where:
bonds (distance) C4'-P energy: -33.386
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -22.563
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: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -251.178043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.178043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.178043 (E_RNA)
where:
Base-Base interactions energy: -135.238
where: short stacking energy: -93.186
Base-Backbone interact. energy: -1.910
local terms energy: -114.029856
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -34.951
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -12.512
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: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -162.880546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.880546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.880546 (E_RNA)
where:
Base-Base interactions energy: -59.643
where: short stacking energy: -57.906
Base-Backbone interact. energy: -1.897
local terms energy: -101.339938
where:
bonds (distance) C4'-P energy: -32.444
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -213.947139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.947139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.947139 (E_RNA)
where:
Base-Base interactions energy: -107.602
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.687
local terms energy: -105.658193
where:
bonds (distance) C4'-P energy: -31.078
bonds (distance) P-C4' energy: -27.589
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -586.939231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.939231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.939231 (E_RNA)
where:
Base-Base interactions energy: -414.980
where: short stacking energy: -175.983
Base-Backbone interact. energy: -0.089
local terms energy: -171.870242
where:
bonds (distance) C4'-P energy: -24.717
bonds (distance) P-C4' energy: -34.182
flat angles C4'-P-C4' energy: -36.419
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -51.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -533.404277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.404277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.404277 (E_RNA)
where:
Base-Base interactions energy: -363.268
where: short stacking energy: -169.298
Base-Backbone interact. energy: 0.526
local terms energy: -170.661893
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -35.404
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: -42.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -524.534303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.534303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.534303 (E_RNA)
where:
Base-Base interactions energy: -349.800
where: short stacking energy: -166.901
Base-Backbone interact. energy: -1.225
local terms energy: -173.509571
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -35.137
flat angles C4'-P-C4' energy: -37.743
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -50.356
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: 184
Temperature: 1.050000
Total energy: -494.625157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.625157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.625157 (E_RNA)
where:
Base-Base interactions energy: -324.020
where: short stacking energy: -156.964
Base-Backbone interact. energy: 0.942
local terms energy: -171.547384
where:
bonds (distance) C4'-P energy: -32.180
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -38.246
flat angles P-C4'-P energy: -27.687
tors. eta vs tors. theta energy: -44.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -510.654624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.654624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.654624 (E_RNA)
where:
Base-Base interactions energy: -350.092
where: short stacking energy: -165.005
Base-Backbone interact. energy: -0.632
local terms energy: -159.930409
where:
bonds (distance) C4'-P energy: -30.586
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -37.500
flat angles P-C4'-P energy: -24.454
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: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -424.252162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.252162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.252162 (E_RNA)
where:
Base-Base interactions energy: -298.561
where: short stacking energy: -140.247
Base-Backbone interact. energy: -0.412
local terms energy: -125.279403
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -21.184
tors. eta vs tors. theta energy: -33.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -343.167744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.167744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.167744 (E_RNA)
where:
Base-Base interactions energy: -205.188
where: short stacking energy: -112.537
Base-Backbone interact. energy: -0.645
local terms energy: -137.335008
where:
bonds (distance) C4'-P energy: -29.284
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -33.799
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -26.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -242.188307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.188307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.188307 (E_RNA)
where:
Base-Base interactions energy: -132.133
where: short stacking energy: -79.356
Base-Backbone interact. energy: 0.406
local terms energy: -110.460442
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -27.249
flat angles C4'-P-C4' energy: -32.567
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -11.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -177.232258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.232258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.232258 (E_RNA)
where:
Base-Base interactions energy: -78.915
where: short stacking energy: -59.120
Base-Backbone interact. energy: -0.425
local terms energy: -97.891717
where:
bonds (distance) C4'-P energy: -28.526
bonds (distance) P-C4' energy: -30.833
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -5.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -149.967347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.967347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.967347 (E_RNA)
where:
Base-Base interactions energy: -59.062
where: short stacking energy: -47.628
Base-Backbone interact. energy: -0.225
local terms energy: -90.680321
where:
bonds (distance) C4'-P energy: -25.838
bonds (distance) P-C4' energy: -29.734
flat angles C4'-P-C4' energy: -26.136
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: 7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -595.060770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.060770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.060770 (E_RNA)
where:
Base-Base interactions energy: -414.876
where: short stacking energy: -175.323
Base-Backbone interact. energy: -0.407
local terms energy: -179.778162
where:
bonds (distance) C4'-P energy: -26.558
bonds (distance) P-C4' energy: -33.683
flat angles C4'-P-C4' energy: -38.977
flat angles P-C4'-P energy: -29.140
tors. eta vs tors. theta energy: -51.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -531.891010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.891010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.891010 (E_RNA)
where:
Base-Base interactions energy: -356.757
where: short stacking energy: -174.481
Base-Backbone interact. energy: -0.051
local terms energy: -175.082739
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -33.671
flat angles C4'-P-C4' energy: -33.968
flat angles P-C4'-P energy: -23.039
tors. eta vs tors. theta energy: -48.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -523.614740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.614740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.614740 (E_RNA)
where:
Base-Base interactions energy: -342.401
where: short stacking energy: -166.176
Base-Backbone interact. energy: -1.615
local terms energy: -179.599247
where:
bonds (distance) C4'-P energy: -31.015
bonds (distance) P-C4' energy: -34.582
flat angles C4'-P-C4' energy: -35.277
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: -53.279
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: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -521.003088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.003088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.003088 (E_RNA)
where:
Base-Base interactions energy: -356.801
where: short stacking energy: -167.287
Base-Backbone interact. energy: -0.333
local terms energy: -163.869522
where:
bonds (distance) C4'-P energy: -29.990
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -38.614
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -48.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -458.228897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.228897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.228897 (E_RNA)
where:
Base-Base interactions energy: -304.934
where: short stacking energy: -128.394
Base-Backbone interact. energy: 1.660
local terms energy: -154.955311
where:
bonds (distance) C4'-P energy: -27.901
bonds (distance) P-C4' energy: -36.614
flat angles C4'-P-C4' energy: -32.401
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: -35.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -437.134699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.134699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.134699 (E_RNA)
where:
Base-Base interactions energy: -292.570
where: short stacking energy: -127.007
Base-Backbone interact. energy: -0.251
local terms energy: -144.312770
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -31.792
flat angles C4'-P-C4' energy: -25.764
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -35.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -385.106904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.106904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.106904 (E_RNA)
where:
Base-Base interactions energy: -242.293
where: short stacking energy: -113.363
Base-Backbone interact. energy: -1.476
local terms energy: -141.338292
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -33.451
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -28.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -237.697220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.697220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.697220 (E_RNA)
where:
Base-Base interactions energy: -120.148
where: short stacking energy: -97.449
Base-Backbone interact. energy: 0.411
local terms energy: -117.959952
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -32.080
flat angles C4'-P-C4' energy: -28.592
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -17.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -247.032376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.032376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.032376 (E_RNA)
where:
Base-Base interactions energy: -140.196
where: short stacking energy: -88.851
Base-Backbone interact. energy: -0.413
local terms energy: -106.423016
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -28.109
flat angles C4'-P-C4' energy: -28.767
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -175.953448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.953448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.953448 (E_RNA)
where:
Base-Base interactions energy: -77.265
where: short stacking energy: -52.030
Base-Backbone interact. energy: -0.545
local terms energy: -98.143533
where:
bonds (distance) C4'-P energy: -25.738
bonds (distance) P-C4' energy: -36.192
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -588.045365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.045365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.045365 (E_RNA)
where:
Base-Base interactions energy: -399.609
where: short stacking energy: -178.832
Base-Backbone interact. energy: -1.095
local terms energy: -187.340482
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -36.924
flat angles C4'-P-C4' energy: -36.695
flat angles P-C4'-P energy: -30.012
tors. eta vs tors. theta energy: -49.786
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: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -534.967418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.967418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.967418 (E_RNA)
where:
Base-Base interactions energy: -367.479
where: short stacking energy: -165.330
Base-Backbone interact. energy: -0.069
local terms energy: -167.419668
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -36.046
flat angles C4'-P-C4' energy: -34.133
flat angles P-C4'-P energy: -26.174
tors. eta vs tors. theta energy: -39.547
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: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -532.347422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.347422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.347422 (E_RNA)
where:
Base-Base interactions energy: -370.696
where: short stacking energy: -176.732
Base-Backbone interact. energy: -0.633
local terms energy: -161.018412
where:
bonds (distance) C4'-P energy: -26.094
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -35.888
flat angles P-C4'-P energy: -29.694
tors. eta vs tors. theta energy: -44.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -520.927913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.927913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.927913 (E_RNA)
where:
Base-Base interactions energy: -345.974
where: short stacking energy: -168.020
Base-Backbone interact. energy: -1.988
local terms energy: -172.965853
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -32.886
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -25.094
tors. eta vs tors. theta energy: -49.078
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: 186
Temperature: 1.100000
Total energy: -454.162247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.162247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.162247 (E_RNA)
where:
Base-Base interactions energy: -305.070
where: short stacking energy: -148.175
Base-Backbone interact. energy: -0.625
local terms energy: -148.467986
where:
bonds (distance) C4'-P energy: -31.744
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -33.271
flat angles P-C4'-P energy: -23.226
tors. eta vs tors. theta energy: -35.474
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: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -421.554358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.554358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.554358 (E_RNA)
where:
Base-Base interactions energy: -280.055
where: short stacking energy: -138.824
Base-Backbone interact. energy: 0.780
local terms energy: -142.279603
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -23.689
tors. eta vs tors. theta energy: -35.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -384.493361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.493361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.493361 (E_RNA)
where:
Base-Base interactions energy: -247.526
where: short stacking energy: -126.335
Base-Backbone interact. energy: -0.710
local terms energy: -136.257938
where:
bonds (distance) C4'-P energy: -25.958
bonds (distance) P-C4' energy: -29.313
flat angles C4'-P-C4' energy: -31.703
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -29.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -251.996385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.996385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.996385 (E_RNA)
where:
Base-Base interactions energy: -161.519
where: short stacking energy: -78.297
Base-Backbone interact. energy: 3.981
local terms energy: -94.458506
where:
bonds (distance) C4'-P energy: -25.270
bonds (distance) P-C4' energy: -32.569
flat angles C4'-P-C4' energy: -8.473
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -175.059442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.059442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.059442 (E_RNA)
where:
Base-Base interactions energy: -75.886
where: short stacking energy: -58.063
Base-Backbone interact. energy: 2.094
local terms energy: -101.266988
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -214.624913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.624913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.624913 (E_RNA)
where:
Base-Base interactions energy: -119.748
where: short stacking energy: -74.185
Base-Backbone interact. energy: -0.857
local terms energy: -94.019807
where:
bonds (distance) C4'-P energy: -30.661
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -587.268303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.268303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.268303 (E_RNA)
where:
Base-Base interactions energy: -401.919
where: short stacking energy: -187.762
Base-Backbone interact. energy: -0.030
local terms energy: -185.319782
where:
bonds (distance) C4'-P energy: -35.605
bonds (distance) P-C4' energy: -29.275
flat angles C4'-P-C4' energy: -38.654
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -55.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -537.532843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.532843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.532843 (E_RNA)
where:
Base-Base interactions energy: -368.809
where: short stacking energy: -172.633
Base-Backbone interact. energy: -0.342
local terms energy: -168.381534
where:
bonds (distance) C4'-P energy: -35.231
bonds (distance) P-C4' energy: -26.291
flat angles C4'-P-C4' energy: -35.050
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -51.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -522.542389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.542389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.542389 (E_RNA)
where:
Base-Base interactions energy: -369.838
where: short stacking energy: -173.320
Base-Backbone interact. energy: -0.384
local terms energy: -152.320219
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -28.187
tors. eta vs tors. theta energy: -45.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -512.698193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.698193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.698193 (E_RNA)
where:
Base-Base interactions energy: -353.016
where: short stacking energy: -175.123
Base-Backbone interact. energy: 0.276
local terms energy: -159.957677
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -28.337
flat angles P-C4'-P energy: -26.529
tors. eta vs tors. theta energy: -47.868
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: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -456.494330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.494330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.494330 (E_RNA)
where:
Base-Base interactions energy: -299.873
where: short stacking energy: -145.712
Base-Backbone interact. energy: 0.158
local terms energy: -156.779912
where:
bonds (distance) C4'-P energy: -25.153
bonds (distance) P-C4' energy: -28.210
flat angles C4'-P-C4' energy: -34.949
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -46.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -425.507583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.507583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.507583 (E_RNA)
where:
Base-Base interactions energy: -268.626
where: short stacking energy: -129.657
Base-Backbone interact. energy: -0.065
local terms energy: -156.816624
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -31.238
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -24.649
tors. eta vs tors. theta energy: -34.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -369.109566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.109566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.109566 (E_RNA)
where:
Base-Base interactions energy: -244.873
where: short stacking energy: -113.351
Base-Backbone interact. energy: -0.253
local terms energy: -123.983389
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -23.937
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: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -220.978634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.978634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.978634 (E_RNA)
where:
Base-Base interactions energy: -117.272
where: short stacking energy: -66.117
Base-Backbone interact. energy: -1.381
local terms energy: -102.325244
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -33.098
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -190.707123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.707123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.707123 (E_RNA)
where:
Base-Base interactions energy: -101.446
where: short stacking energy: -61.581
Base-Backbone interact. energy: -0.480
local terms energy: -88.780550
where:
bonds (distance) C4'-P energy: -23.835
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -186.644879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.644879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.644879 (E_RNA)
where:
Base-Base interactions energy: -89.021
where: short stacking energy: -47.848
Base-Backbone interact. energy: 5.841
local terms energy: -103.465164
where:
bonds (distance) C4'-P energy: -28.745
bonds (distance) P-C4' energy: -31.891
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: 0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -582.134754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.134754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.134754 (E_RNA)
where:
Base-Base interactions energy: -404.869
where: short stacking energy: -188.548
Base-Backbone interact. energy: -0.924
local terms energy: -176.342288
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -37.299
flat angles P-C4'-P energy: -22.072
tors. eta vs tors. theta energy: -52.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -535.787655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.787655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.787655 (E_RNA)
where:
Base-Base interactions energy: -365.673
where: short stacking energy: -175.087
Base-Backbone interact. energy: -0.027
local terms energy: -170.088140
where:
bonds (distance) C4'-P energy: -32.403
bonds (distance) P-C4' energy: -27.344
flat angles C4'-P-C4' energy: -39.503
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: -47.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -505.527071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.527071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.527071 (E_RNA)
where:
Base-Base interactions energy: -349.175
where: short stacking energy: -160.715
Base-Backbone interact. energy: -1.101
local terms energy: -155.250421
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -33.276
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -38.523
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: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -534.522206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.522206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.522206 (E_RNA)
where:
Base-Base interactions energy: -366.998
where: short stacking energy: -174.922
Base-Backbone interact. energy: -0.221
local terms energy: -167.302929
where:
bonds (distance) C4'-P energy: -25.414
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -34.225
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -53.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -461.668240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.668240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.668240 (E_RNA)
where:
Base-Base interactions energy: -314.188
where: short stacking energy: -145.597
Base-Backbone interact. energy: -0.374
local terms energy: -147.106156
where:
bonds (distance) C4'-P energy: -26.578
bonds (distance) P-C4' energy: -26.073
flat angles C4'-P-C4' energy: -30.056
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -41.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -438.722578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.722578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.722578 (E_RNA)
where:
Base-Base interactions energy: -288.718
where: short stacking energy: -150.932
Base-Backbone interact. energy: -0.914
local terms energy: -149.090443
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -31.162
flat angles C4'-P-C4' energy: -33.273
flat angles P-C4'-P energy: -19.057
tors. eta vs tors. theta energy: -38.651
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: 188
Temperature: 1.200000
Total energy: -353.351409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.351409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.351409 (E_RNA)
where:
Base-Base interactions energy: -246.229
where: short stacking energy: -130.431
Base-Backbone interact. energy: -0.463
local terms energy: -106.659285
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -172.975927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.975927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.975927 (E_RNA)
where:
Base-Base interactions energy: -75.371
where: short stacking energy: -62.259
Base-Backbone interact. energy: 5.770
local terms energy: -103.375108
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -28.465
flat angles C4'-P-C4' energy: -28.069
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: 0.815
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: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -172.614600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.614600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.614600 (E_RNA)
where:
Base-Base interactions energy: -70.072
where: short stacking energy: -61.204
Base-Backbone interact. energy: -0.102
local terms energy: -102.440624
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -159.480480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.480480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.480480 (E_RNA)
where:
Base-Base interactions energy: -63.354
where: short stacking energy: -61.760
Base-Backbone interact. energy: 0.354
local terms energy: -96.479623
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -29.564
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -582.204465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.204465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.204465 (E_RNA)
where:
Base-Base interactions energy: -407.437
where: short stacking energy: -184.195
Base-Backbone interact. energy: -0.598
local terms energy: -174.168891
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -31.373
flat angles C4'-P-C4' energy: -36.310
flat angles P-C4'-P energy: -27.595
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: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -545.633067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.633067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.633067 (E_RNA)
where:
Base-Base interactions energy: -367.202
where: short stacking energy: -180.092
Base-Backbone interact. energy: -0.846
local terms energy: -177.584923
where:
bonds (distance) C4'-P energy: -36.576
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -37.101
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -50.774
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: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -528.022770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.022770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.022770 (E_RNA)
where:
Base-Base interactions energy: -353.592
where: short stacking energy: -178.555
Base-Backbone interact. energy: -1.186
local terms energy: -173.245392
where:
bonds (distance) C4'-P energy: -28.074
bonds (distance) P-C4' energy: -34.227
flat angles C4'-P-C4' energy: -38.108
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -49.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -531.290066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.290066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.290066 (E_RNA)
where:
Base-Base interactions energy: -356.919
where: short stacking energy: -181.027
Base-Backbone interact. energy: -0.003
local terms energy: -174.368642
where:
bonds (distance) C4'-P energy: -24.840
bonds (distance) P-C4' energy: -37.968
flat angles C4'-P-C4' energy: -31.804
flat angles P-C4'-P energy: -27.206
tors. eta vs tors. theta energy: -52.551
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: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -472.943782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.943782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.943782 (E_RNA)
where:
Base-Base interactions energy: -308.808
where: short stacking energy: -136.203
Base-Backbone interact. energy: -2.027
local terms energy: -162.109460
where:
bonds (distance) C4'-P energy: -34.063
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -34.292
flat angles P-C4'-P energy: -25.146
tors. eta vs tors. theta energy: -40.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -435.707967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.707967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.707967 (E_RNA)
where:
Base-Base interactions energy: -284.452
where: short stacking energy: -143.360
Base-Backbone interact. energy: -0.015
local terms energy: -151.240775
where:
bonds (distance) C4'-P energy: -29.700
bonds (distance) P-C4' energy: -28.482
flat angles C4'-P-C4' energy: -37.264
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -34.357
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: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -331.016578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.016578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.016578 (E_RNA)
where:
Base-Base interactions energy: -204.916
where: short stacking energy: -107.422
Base-Backbone interact. energy: -0.728
local terms energy: -125.372996
where:
bonds (distance) C4'-P energy: -26.986
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -24.910
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -253.399063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.399063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.399063 (E_RNA)
where:
Base-Base interactions energy: -139.864
where: short stacking energy: -89.099
Base-Backbone interact. energy: -2.610
local terms energy: -110.924572
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -26.663
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -16.469
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: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -166.858031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.858031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.858031 (E_RNA)
where:
Base-Base interactions energy: -70.759
where: short stacking energy: -62.193
Base-Backbone interact. energy: -0.605
local terms energy: -95.493083
where:
bonds (distance) C4'-P energy: -25.392
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -28.531
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -5.420
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: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -165.785784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.785784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.785784 (E_RNA)
where:
Base-Base interactions energy: -74.456
where: short stacking energy: -52.779
Base-Backbone interact. energy: 1.047
local terms energy: -92.376319
where:
bonds (distance) C4'-P energy: -30.247
bonds (distance) P-C4' energy: -35.223
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: 0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -597.678800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.678800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.678800 (E_RNA)
where:
Base-Base interactions energy: -421.262
where: short stacking energy: -189.828
Base-Backbone interact. energy: -1.332
local terms energy: -175.084810
where:
bonds (distance) C4'-P energy: -29.128
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -37.861
flat angles P-C4'-P energy: -28.653
tors. eta vs tors. theta energy: -52.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -537.813934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.813934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.813934 (E_RNA)
where:
Base-Base interactions energy: -362.673
where: short stacking energy: -180.649
Base-Backbone interact. energy: -0.006
local terms energy: -175.134292
where:
bonds (distance) C4'-P energy: -30.171
bonds (distance) P-C4' energy: -31.927
flat angles C4'-P-C4' energy: -34.170
flat angles P-C4'-P energy: -28.042
tors. eta vs tors. theta energy: -50.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -524.523232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.523232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.523232 (E_RNA)
where:
Base-Base interactions energy: -356.581
where: short stacking energy: -169.947
Base-Backbone interact. energy: -0.895
local terms energy: -167.047961
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -40.132
flat angles P-C4'-P energy: -25.639
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: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -513.089308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.089308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.089308 (E_RNA)
where:
Base-Base interactions energy: -358.480
where: short stacking energy: -173.453
Base-Backbone interact. energy: -0.162
local terms energy: -154.447103
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -45.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -493.186472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.186472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.186472 (E_RNA)
where:
Base-Base interactions energy: -330.549
where: short stacking energy: -154.693
Base-Backbone interact. energy: 0.269
local terms energy: -162.906209
where:
bonds (distance) C4'-P energy: -35.431
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -34.034
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -38.733
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: 190
Temperature: 1.150000
Total energy: -420.889269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.889269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.889269 (E_RNA)
where:
Base-Base interactions energy: -265.797
where: short stacking energy: -137.152
Base-Backbone interact. energy: -0.009
local terms energy: -155.083678
where:
bonds (distance) C4'-P energy: -28.161
bonds (distance) P-C4' energy: -36.062
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -42.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -385.577680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.577680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.577680 (E_RNA)
where:
Base-Base interactions energy: -257.460
where: short stacking energy: -125.791
Base-Backbone interact. energy: -1.366
local terms energy: -126.751095
where:
bonds (distance) C4'-P energy: -24.736
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -22.674
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: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -268.879353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.879353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.879353 (E_RNA)
where:
Base-Base interactions energy: -152.878
where: short stacking energy: -91.828
Base-Backbone interact. energy: -0.027
local terms energy: -115.973810
where:
bonds (distance) C4'-P energy: -27.332
bonds (distance) P-C4' energy: -24.681
flat angles C4'-P-C4' energy: -27.785
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -172.557097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.557097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.557097 (E_RNA)
where:
Base-Base interactions energy: -72.245
where: short stacking energy: -49.450
Base-Backbone interact. energy: -0.033
local terms energy: -100.278875
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -32.417
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -4.084
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: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -172.134774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.134774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.134774 (E_RNA)
where:
Base-Base interactions energy: -66.218
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.736
local terms energy: -105.180650
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -594.588511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.588511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.588511 (E_RNA)
where:
Base-Base interactions energy: -421.623
where: short stacking energy: -185.409
Base-Backbone interact. energy: -1.147
local terms energy: -171.818557
where:
bonds (distance) C4'-P energy: -28.750
bonds (distance) P-C4' energy: -29.666
flat angles C4'-P-C4' energy: -40.217
flat angles P-C4'-P energy: -20.712
tors. eta vs tors. theta energy: -52.474
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: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -542.665215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.665215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.665215 (E_RNA)
where:
Base-Base interactions energy: -357.667
where: short stacking energy: -177.910
Base-Backbone interact. energy: -1.632
local terms energy: -183.365862
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -30.322
tors. eta vs tors. theta energy: -54.708
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: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -524.904160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.904160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.904160 (E_RNA)
where:
Base-Base interactions energy: -354.589
where: short stacking energy: -174.354
Base-Backbone interact. energy: -0.302
local terms energy: -170.012370
where:
bonds (distance) C4'-P energy: -30.781
bonds (distance) P-C4' energy: -31.283
flat angles C4'-P-C4' energy: -36.415
flat angles P-C4'-P energy: -26.486
tors. eta vs tors. theta energy: -45.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -502.880098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.880098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.880098 (E_RNA)
where:
Base-Base interactions energy: -344.274
where: short stacking energy: -154.578
Base-Backbone interact. energy: -1.466
local terms energy: -157.140023
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -32.586
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -21.070
tors. eta vs tors. theta energy: -42.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -481.127675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.127675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.127675 (E_RNA)
where:
Base-Base interactions energy: -324.871
where: short stacking energy: -146.021
Base-Backbone interact. energy: -0.141
local terms energy: -156.115817
where:
bonds (distance) C4'-P energy: -29.068
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -35.481
flat angles P-C4'-P energy: -20.791
tors. eta vs tors. theta energy: -44.495
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: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -398.325449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.325449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.325449 (E_RNA)
where:
Base-Base interactions energy: -263.223
where: short stacking energy: -133.966
Base-Backbone interact. energy: 1.422
local terms energy: -136.524714
where:
bonds (distance) C4'-P energy: -31.953
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -30.435
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -27.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -410.823104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.823104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.823104 (E_RNA)
where:
Base-Base interactions energy: -282.495
where: short stacking energy: -132.377
Base-Backbone interact. energy: -0.221
local terms energy: -128.106898
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -26.959
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -30.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -259.275316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.275316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.275316 (E_RNA)
where:
Base-Base interactions energy: -130.826
where: short stacking energy: -91.931
Base-Backbone interact. energy: -1.511
local terms energy: -126.937555
where:
bonds (distance) C4'-P energy: -25.075
bonds (distance) P-C4' energy: -34.416
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -177.792127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.792127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.792127 (E_RNA)
where:
Base-Base interactions energy: -78.454
where: short stacking energy: -67.045
Base-Backbone interact. energy: -1.234
local terms energy: -98.104173
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -33.578
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -6.187
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: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -185.983474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.983474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.983474 (E_RNA)
where:
Base-Base interactions energy: -99.648
where: short stacking energy: -59.607
Base-Backbone interact. energy: -1.434
local terms energy: -84.901074
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -583.091488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.091488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.091488 (E_RNA)
where:
Base-Base interactions energy: -402.324
where: short stacking energy: -188.146
Base-Backbone interact. energy: -0.361
local terms energy: -180.406822
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -34.407
flat angles C4'-P-C4' energy: -37.194
flat angles P-C4'-P energy: -28.938
tors. eta vs tors. theta energy: -51.488
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: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -534.696036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.696036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.696036 (E_RNA)
where:
Base-Base interactions energy: -366.501
where: short stacking energy: -179.447
Base-Backbone interact. energy: -0.874
local terms energy: -167.321475
where:
bonds (distance) C4'-P energy: -30.545
bonds (distance) P-C4' energy: -26.561
flat angles C4'-P-C4' energy: -35.780
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -53.493
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: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -522.556299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.556299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.556299 (E_RNA)
where:
Base-Base interactions energy: -353.760
where: short stacking energy: -173.155
Base-Backbone interact. energy: -0.010
local terms energy: -168.786757
where:
bonds (distance) C4'-P energy: -28.040
bonds (distance) P-C4' energy: -32.210
flat angles C4'-P-C4' energy: -34.897
flat angles P-C4'-P energy: -26.570
tors. eta vs tors. theta energy: -47.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -499.872269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.872269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.872269 (E_RNA)
where:
Base-Base interactions energy: -347.403
where: short stacking energy: -150.286
Base-Backbone interact. energy: -0.716
local terms energy: -151.752432
where:
bonds (distance) C4'-P energy: -27.113
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -26.530
tors. eta vs tors. theta energy: -44.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -478.059111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.059111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.059111 (E_RNA)
where:
Base-Base interactions energy: -327.124
where: short stacking energy: -156.328
Base-Backbone interact. energy: -1.016
local terms energy: -149.918513
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -32.667
flat angles P-C4'-P energy: -22.360
tors. eta vs tors. theta energy: -41.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -391.191032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.191032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.191032 (E_RNA)
where:
Base-Base interactions energy: -254.514
where: short stacking energy: -116.680
Base-Backbone interact. energy: -1.183
local terms energy: -135.493695
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -29.344
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -27.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -367.773729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.773729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.773729 (E_RNA)
where:
Base-Base interactions energy: -230.319
where: short stacking energy: -118.322
Base-Backbone interact. energy: -1.286
local terms energy: -136.168757
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -27.965
flat angles C4'-P-C4' energy: -31.148
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -26.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -213.404789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.404789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.404789 (E_RNA)
where:
Base-Base interactions energy: -103.775
where: short stacking energy: -72.985
Base-Backbone interact. energy: -0.137
local terms energy: -109.492034
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -29.491
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -191.851263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.851263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.851263 (E_RNA)
where:
Base-Base interactions energy: -101.374
where: short stacking energy: -71.055
Base-Backbone interact. energy: 4.650
local terms energy: -95.127192
where:
bonds (distance) C4'-P energy: -35.764
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -199.416437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.416437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.416437 (E_RNA)
where:
Base-Base interactions energy: -100.437
where: short stacking energy: -56.752
Base-Backbone interact. energy: 0.341
local terms energy: -99.320792
where:
bonds (distance) C4'-P energy: -32.358
bonds (distance) P-C4' energy: -29.418
flat angles C4'-P-C4' energy: -31.611
flat angles P-C4'-P energy: -5.327
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -574.105184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.105184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.105184 (E_RNA)
where:
Base-Base interactions energy: -403.949
where: short stacking energy: -181.681
Base-Backbone interact. energy: -0.227
local terms energy: -169.929333
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -26.695
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -53.740
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: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -539.890042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.890042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.890042 (E_RNA)
where:
Base-Base interactions energy: -366.745
where: short stacking energy: -175.389
Base-Backbone interact. energy: -1.129
local terms energy: -172.015836
where:
bonds (distance) C4'-P energy: -30.425
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -38.613
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -52.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -522.859719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.859719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.859719 (E_RNA)
where:
Base-Base interactions energy: -364.197
where: short stacking energy: -166.826
Base-Backbone interact. energy: -0.213
local terms energy: -158.449671
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -32.252
flat angles P-C4'-P energy: -19.564
tors. eta vs tors. theta energy: -48.927
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: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -499.996781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.996781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.996781 (E_RNA)
where:
Base-Base interactions energy: -338.416
where: short stacking energy: -159.251
Base-Backbone interact. energy: 0.527
local terms energy: -162.108122
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -32.489
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -25.713
tors. eta vs tors. theta energy: -46.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -450.681602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.681602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.681602 (E_RNA)
where:
Base-Base interactions energy: -300.640
where: short stacking energy: -138.076
Base-Backbone interact. energy: -0.071
local terms energy: -149.970422
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -29.457
flat angles C4'-P-C4' energy: -24.522
flat angles P-C4'-P energy: -25.642
tors. eta vs tors. theta energy: -36.970
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: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -427.610606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.610606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.610606 (E_RNA)
where:
Base-Base interactions energy: -285.678
where: short stacking energy: -129.858
Base-Backbone interact. energy: 0.991
local terms energy: -142.923316
where:
bonds (distance) C4'-P energy: -32.404
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -36.461
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -33.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -365.744090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.744090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.744090 (E_RNA)
where:
Base-Base interactions energy: -227.375
where: short stacking energy: -115.023
Base-Backbone interact. energy: 0.526
local terms energy: -138.895739
where:
bonds (distance) C4'-P energy: -31.279
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -30.873
flat angles P-C4'-P energy: -19.454
tors. eta vs tors. theta energy: -30.286
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: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -188.191805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.191805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.191805 (E_RNA)
where:
Base-Base interactions energy: -88.268
where: short stacking energy: -65.767
Base-Backbone interact. energy: 4.184
local terms energy: -104.107863
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -30.401
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -2.104
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: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -181.561457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.561457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.561457 (E_RNA)
where:
Base-Base interactions energy: -62.423
where: short stacking energy: -62.423
Base-Backbone interact. energy: -0.066
local terms energy: -119.072779
where:
bonds (distance) C4'-P energy: -31.358
bonds (distance) P-C4' energy: -36.175
flat angles C4'-P-C4' energy: -28.916
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -3.810
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: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -196.242613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.242613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.242613 (E_RNA)
where:
Base-Base interactions energy: -84.014
where: short stacking energy: -60.783
Base-Backbone interact. energy: -0.256
local terms energy: -111.972085
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -34.020
flat angles C4'-P-C4' energy: -28.767
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -560.427977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.427977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.427977 (E_RNA)
where:
Base-Base interactions energy: -383.573
where: short stacking energy: -175.951
Base-Backbone interact. energy: -0.562
local terms energy: -176.292799
where:
bonds (distance) C4'-P energy: -35.471
bonds (distance) P-C4' energy: -32.531
flat angles C4'-P-C4' energy: -38.744
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -48.205
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: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -579.880299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.880299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.880299 (E_RNA)
where:
Base-Base interactions energy: -410.884
where: short stacking energy: -188.148
Base-Backbone interact. energy: -0.405
local terms energy: -168.591007
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -32.989
flat angles C4'-P-C4' energy: -32.352
flat angles P-C4'-P energy: -27.261
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: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -524.786378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.786378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.786378 (E_RNA)
where:
Base-Base interactions energy: -351.380
where: short stacking energy: -160.658
Base-Backbone interact. energy: -1.077
local terms energy: -172.329106
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -45.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -511.787723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.787723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.787723 (E_RNA)
where:
Base-Base interactions energy: -350.812
where: short stacking energy: -155.004
Base-Backbone interact. energy: -1.354
local terms energy: -159.621721
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -30.862
flat angles C4'-P-C4' energy: -33.386
flat angles P-C4'-P energy: -22.659
tors. eta vs tors. theta energy: -42.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -417.383550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.383550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.383550 (E_RNA)
where:
Base-Base interactions energy: -264.227
where: short stacking energy: -132.241
Base-Backbone interact. energy: -0.233
local terms energy: -152.923735
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -30.045
flat angles C4'-P-C4' energy: -35.245
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -35.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -457.951624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.951624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.951624 (E_RNA)
where:
Base-Base interactions energy: -313.074
where: short stacking energy: -132.424
Base-Backbone interact. energy: -0.295
local terms energy: -144.582805
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -30.999
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -34.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -377.601750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.601750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.601750 (E_RNA)
where:
Base-Base interactions energy: -262.157
where: short stacking energy: -123.130
Base-Backbone interact. energy: -0.585
local terms energy: -114.860297
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -30.765
flat angles C4'-P-C4' energy: -26.703
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -21.070
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: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -196.399768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.399768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.399768 (E_RNA)
where:
Base-Base interactions energy: -90.684
where: short stacking energy: -77.770
Base-Backbone interact. energy: -1.164
local terms energy: -104.552041
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -31.659
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -191.432081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.432081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.432081 (E_RNA)
where:
Base-Base interactions energy: -96.410
where: short stacking energy: -69.352
Base-Backbone interact. energy: -0.359
local terms energy: -94.663410
where:
bonds (distance) C4'-P energy: -31.724
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -172.430375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.430375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.430375 (E_RNA)
where:
Base-Base interactions energy: -69.154
where: short stacking energy: -67.646
Base-Backbone interact. energy: -0.512
local terms energy: -102.764310
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -19.628
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -548.537231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.537231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.537231 (E_RNA)
where:
Base-Base interactions energy: -363.413
where: short stacking energy: -181.078
Base-Backbone interact. energy: -1.218
local terms energy: -183.906659
where:
bonds (distance) C4'-P energy: -29.328
bonds (distance) P-C4' energy: -30.569
flat angles C4'-P-C4' energy: -36.582
flat angles P-C4'-P energy: -31.243
tors. eta vs tors. theta energy: -56.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -578.982566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.982566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.982566 (E_RNA)
where:
Base-Base interactions energy: -393.431
where: short stacking energy: -180.450
Base-Backbone interact. energy: -0.555
local terms energy: -184.996517
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -36.145
flat angles C4'-P-C4' energy: -35.590
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -52.027
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: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -523.320762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.320762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.320762 (E_RNA)
where:
Base-Base interactions energy: -362.347
where: short stacking energy: -158.255
Base-Backbone interact. energy: -0.630
local terms energy: -160.343873
where:
bonds (distance) C4'-P energy: -32.933
bonds (distance) P-C4' energy: -32.987
flat angles C4'-P-C4' energy: -26.741
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -45.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -501.298081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.298081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.298081 (E_RNA)
where:
Base-Base interactions energy: -343.228
where: short stacking energy: -162.163
Base-Backbone interact. energy: -0.830
local terms energy: -157.240434
where:
bonds (distance) C4'-P energy: -27.869
bonds (distance) P-C4' energy: -30.355
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -41.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -447.475760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.475760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.475760 (E_RNA)
where:
Base-Base interactions energy: -292.079
where: short stacking energy: -134.293
Base-Backbone interact. energy: -0.935
local terms energy: -154.461524
where:
bonds (distance) C4'-P energy: -30.370
bonds (distance) P-C4' energy: -28.261
flat angles C4'-P-C4' energy: -36.533
flat angles P-C4'-P energy: -24.023
tors. eta vs tors. theta energy: -35.274
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: 195
Temperature: 1.150000
Total energy: -451.621425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.621425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.621425 (E_RNA)
where:
Base-Base interactions energy: -307.621
where: short stacking energy: -152.941
Base-Backbone interact. energy: -0.856
local terms energy: -143.144551
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -28.087
flat angles C4'-P-C4' energy: -34.261
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -41.329
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: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -351.822174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.822174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.822174 (E_RNA)
where:
Base-Base interactions energy: -224.496
where: short stacking energy: -107.157
Base-Backbone interact. energy: -0.710
local terms energy: -126.616164
where:
bonds (distance) C4'-P energy: -28.186
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -30.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -207.255411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.255411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.255411 (E_RNA)
where:
Base-Base interactions energy: -85.044
where: short stacking energy: -82.807
Base-Backbone interact. energy: -1.581
local terms energy: -120.630541
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -31.688
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -23.416
tors. eta vs tors. theta energy: -10.753
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: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -155.056043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.056043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.056043 (E_RNA)
where:
Base-Base interactions energy: -56.480
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.714
local terms energy: -97.861901
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -28.317
flat angles C4'-P-C4' energy: -28.469
flat angles P-C4'-P energy: -18.917
tors. eta vs tors. theta energy: -7.747
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: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -166.606703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.606703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.606703 (E_RNA)
where:
Base-Base interactions energy: -76.968
where: short stacking energy: -66.252
Base-Backbone interact. energy: 0.175
local terms energy: -89.813514
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -28.617
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -594.850403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.850403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.850403 (E_RNA)
where:
Base-Base interactions energy: -403.728
where: short stacking energy: -185.811
Base-Backbone interact. energy: -0.222
local terms energy: -190.900535
where:
bonds (distance) C4'-P energy: -36.159
bonds (distance) P-C4' energy: -33.246
flat angles C4'-P-C4' energy: -38.748
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: -53.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -532.167835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.167835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.167835 (E_RNA)
where:
Base-Base interactions energy: -351.222
where: short stacking energy: -163.759
Base-Backbone interact. energy: -0.626
local terms energy: -180.319145
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -34.361
flat angles C4'-P-C4' energy: -37.284
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -48.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -522.862990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.862990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.862990 (E_RNA)
where:
Base-Base interactions energy: -346.533
where: short stacking energy: -162.843
Base-Backbone interact. energy: -0.002
local terms energy: -176.328078
where:
bonds (distance) C4'-P energy: -33.232
bonds (distance) P-C4' energy: -34.301
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -29.899
tors. eta vs tors. theta energy: -46.585
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: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -500.467120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.467120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.467120 (E_RNA)
where:
Base-Base interactions energy: -344.001
where: short stacking energy: -148.876
Base-Backbone interact. energy: 0.173
local terms energy: -156.638564
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -31.071
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -44.392
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: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -491.237256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.237256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.237256 (E_RNA)
where:
Base-Base interactions energy: -326.718
where: short stacking energy: -163.208
Base-Backbone interact. energy: -0.643
local terms energy: -163.876146
where:
bonds (distance) C4'-P energy: -29.299
bonds (distance) P-C4' energy: -33.232
flat angles C4'-P-C4' energy: -34.372
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -43.534
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: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -408.943909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.943909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.943909 (E_RNA)
where:
Base-Base interactions energy: -271.530
where: short stacking energy: -138.918
Base-Backbone interact. energy: -1.109
local terms energy: -136.304997
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -38.402
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: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -376.775616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.775616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.775616 (E_RNA)
where:
Base-Base interactions energy: -239.837
where: short stacking energy: -128.548
Base-Backbone interact. energy: -0.825
local terms energy: -136.113481
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -32.671
flat angles C4'-P-C4' energy: -36.481
flat angles P-C4'-P energy: -16.040
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: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -190.531204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.531204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.531204 (E_RNA)
where:
Base-Base interactions energy: -78.096
where: short stacking energy: -67.934
Base-Backbone interact. energy: 0.053
local terms energy: -112.488008
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -33.157
flat angles C4'-P-C4' energy: -29.872
flat angles P-C4'-P energy: -15.902
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: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -183.887750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.887750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.887750 (E_RNA)
where:
Base-Base interactions energy: -89.269
where: short stacking energy: -60.366
Base-Backbone interact. energy: 2.298
local terms energy: -96.916942
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -27.511
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -11.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -161.225609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.225609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.225609 (E_RNA)
where:
Base-Base interactions energy: -61.738
where: short stacking energy: -43.761
Base-Backbone interact. energy: 2.610
local terms energy: -102.097320
where:
bonds (distance) C4'-P energy: -27.100
bonds (distance) P-C4' energy: -34.510
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -20.722
tors. eta vs tors. theta energy: -3.706
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: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -600.494009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.494009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.494009 (E_RNA)
where:
Base-Base interactions energy: -419.232
where: short stacking energy: -188.142
Base-Backbone interact. energy: -1.009
local terms energy: -180.253474
where:
bonds (distance) C4'-P energy: -35.186
bonds (distance) P-C4' energy: -31.491
flat angles C4'-P-C4' energy: -35.285
flat angles P-C4'-P energy: -25.412
tors. eta vs tors. theta energy: -52.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -543.348756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.348756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.348756 (E_RNA)
where:
Base-Base interactions energy: -367.668
where: short stacking energy: -167.634
Base-Backbone interact. energy: -2.564
local terms energy: -173.116982
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -41.026
flat angles P-C4'-P energy: -26.365
tors. eta vs tors. theta energy: -46.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -538.910894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.910894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.910894 (E_RNA)
where:
Base-Base interactions energy: -370.776
where: short stacking energy: -173.651
Base-Backbone interact. energy: -0.227
local terms energy: -167.908294
where:
bonds (distance) C4'-P energy: -27.556
bonds (distance) P-C4' energy: -35.241
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: -50.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -487.115261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.115261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.115261 (E_RNA)
where:
Base-Base interactions energy: -337.051
where: short stacking energy: -160.670
Base-Backbone interact. energy: 0.160
local terms energy: -150.224860
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -36.527
flat angles P-C4'-P energy: -21.863
tors. eta vs tors. theta energy: -37.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -498.359516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.359516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.359516 (E_RNA)
where:
Base-Base interactions energy: -334.910
where: short stacking energy: -152.974
Base-Backbone interact. energy: -0.248
local terms energy: -163.200996
where:
bonds (distance) C4'-P energy: -34.496
bonds (distance) P-C4' energy: -29.908
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -44.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -402.101728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.101728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.101728 (E_RNA)
where:
Base-Base interactions energy: -263.364
where: short stacking energy: -135.583
Base-Backbone interact. energy: -1.772
local terms energy: -136.966273
where:
bonds (distance) C4'-P energy: -30.462
bonds (distance) P-C4' energy: -23.149
flat angles C4'-P-C4' energy: -29.035
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -33.574
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: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -416.773365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.773365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.773365 (E_RNA)
where:
Base-Base interactions energy: -280.742
where: short stacking energy: -134.138
Base-Backbone interact. energy: -0.377
local terms energy: -135.654840
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -30.420
flat angles C4'-P-C4' energy: -33.765
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -35.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -199.863712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.863712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.863712 (E_RNA)
where:
Base-Base interactions energy: -96.400
where: short stacking energy: -57.699
Base-Backbone interact. energy: -1.630
local terms energy: -101.833801
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -25.381
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -4.844
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: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -162.631584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.631584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.631584 (E_RNA)
where:
Base-Base interactions energy: -70.886
where: short stacking energy: -60.140
Base-Backbone interact. energy: 1.799
local terms energy: -93.544746
where:
bonds (distance) C4'-P energy: -28.567
bonds (distance) P-C4' energy: -28.480
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: 3.299
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: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -154.014192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.014192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.014192 (E_RNA)
where:
Base-Base interactions energy: -79.082
where: short stacking energy: -65.676
Base-Backbone interact. energy: -0.179
local terms energy: -74.752941
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: 1.504
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: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -590.506293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.506293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.506293 (E_RNA)
where:
Base-Base interactions energy: -411.435
where: short stacking energy: -180.087
Base-Backbone interact. energy: -0.342
local terms energy: -178.728948
where:
bonds (distance) C4'-P energy: -32.747
bonds (distance) P-C4' energy: -32.124
flat angles C4'-P-C4' energy: -38.363
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -49.429
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: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -533.389111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.389111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.389111 (E_RNA)
where:
Base-Base interactions energy: -357.557
where: short stacking energy: -166.193
Base-Backbone interact. energy: -2.032
local terms energy: -173.800058
where:
bonds (distance) C4'-P energy: -36.482
bonds (distance) P-C4' energy: -27.140
flat angles C4'-P-C4' energy: -36.355
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -46.069
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: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -523.362160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.362160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.362160 (E_RNA)
where:
Base-Base interactions energy: -343.243
where: short stacking energy: -161.661
Base-Backbone interact. energy: -0.445
local terms energy: -179.673927
where:
bonds (distance) C4'-P energy: -33.087
bonds (distance) P-C4' energy: -35.947
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -50.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -500.753073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.753073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.753073 (E_RNA)
where:
Base-Base interactions energy: -342.961
where: short stacking energy: -155.367
Base-Backbone interact. energy: -1.847
local terms energy: -155.945325
where:
bonds (distance) C4'-P energy: -32.635
bonds (distance) P-C4' energy: -28.833
flat angles C4'-P-C4' energy: -35.624
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -41.069
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: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -483.036230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.036230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.036230 (E_RNA)
where:
Base-Base interactions energy: -325.414
where: short stacking energy: -141.200
Base-Backbone interact. energy: -1.085
local terms energy: -156.537230
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -46.604
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: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -398.785063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.785063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.785063 (E_RNA)
where:
Base-Base interactions energy: -263.641
where: short stacking energy: -126.699
Base-Backbone interact. energy: 2.302
local terms energy: -137.446144
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -34.102
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -36.406
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: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -416.593203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.593203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.593203 (E_RNA)
where:
Base-Base interactions energy: -273.392
where: short stacking energy: -135.237
Base-Backbone interact. energy: -0.459
local terms energy: -142.742301
where:
bonds (distance) C4'-P energy: -25.458
bonds (distance) P-C4' energy: -27.738
flat angles C4'-P-C4' energy: -27.920
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -36.827
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: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -193.860143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.860143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.860143 (E_RNA)
where:
Base-Base interactions energy: -92.762
where: short stacking energy: -64.502
Base-Backbone interact. energy: -0.805
local terms energy: -100.292935
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -27.127
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -177.892884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.892884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.892884 (E_RNA)
where:
Base-Base interactions energy: -59.616
where: short stacking energy: -57.702
Base-Backbone interact. energy: 0.203
local terms energy: -118.480162
where:
bonds (distance) C4'-P energy: -28.634
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -26.148
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -152.701534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.701534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.701534 (E_RNA)
where:
Base-Base interactions energy: -59.739
where: short stacking energy: -51.927
Base-Backbone interact. energy: -0.197
local terms energy: -92.765541
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -29.494
flat angles C4'-P-C4' energy: -31.646
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: 0.332
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: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -582.937034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.937034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.937034 (E_RNA)
where:
Base-Base interactions energy: -395.489
where: short stacking energy: -189.445
Base-Backbone interact. energy: -0.375
local terms energy: -187.072623
where:
bonds (distance) C4'-P energy: -32.630
bonds (distance) P-C4' energy: -31.730
flat angles C4'-P-C4' energy: -38.113
flat angles P-C4'-P energy: -31.268
tors. eta vs tors. theta energy: -53.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -547.340839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.340839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.340839 (E_RNA)
where:
Base-Base interactions energy: -369.212
where: short stacking energy: -181.847
Base-Backbone interact. energy: -0.426
local terms energy: -177.702723
where:
bonds (distance) C4'-P energy: -26.369
bonds (distance) P-C4' energy: -34.855
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -57.333
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: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -512.864937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.864937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.864937 (E_RNA)
where:
Base-Base interactions energy: -335.028
where: short stacking energy: -173.496
Base-Backbone interact. energy: -0.246
local terms energy: -177.591636
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -31.015
flat angles C4'-P-C4' energy: -39.142
flat angles P-C4'-P energy: -29.958
tors. eta vs tors. theta energy: -48.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -501.929110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.929110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.929110 (E_RNA)
where:
Base-Base interactions energy: -340.224
where: short stacking energy: -159.657
Base-Backbone interact. energy: -0.170
local terms energy: -161.535430
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -37.453
flat angles P-C4'-P energy: -26.768
tors. eta vs tors. theta energy: -42.218
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: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -475.480372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.480372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.480372 (E_RNA)
where:
Base-Base interactions energy: -332.268
where: short stacking energy: -157.397
Base-Backbone interact. energy: -0.837
local terms energy: -142.375346
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -27.373
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -41.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -400.370417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.370417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.370417 (E_RNA)
where:
Base-Base interactions energy: -262.281
where: short stacking energy: -124.839
Base-Backbone interact. energy: -0.486
local terms energy: -137.604152
where:
bonds (distance) C4'-P energy: -29.714
bonds (distance) P-C4' energy: -25.416
flat angles C4'-P-C4' energy: -30.772
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -34.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -418.056397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.056397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.056397 (E_RNA)
where:
Base-Base interactions energy: -274.943
where: short stacking energy: -124.490
Base-Backbone interact. energy: -0.858
local terms energy: -142.255300
where:
bonds (distance) C4'-P energy: -30.070
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -31.777
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -35.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -197.019368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.019368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.019368 (E_RNA)
where:
Base-Base interactions energy: -92.938
where: short stacking energy: -76.040
Base-Backbone interact. energy: -0.432
local terms energy: -103.649501
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -28.027
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -11.089
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: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -178.529384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.529384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.529384 (E_RNA)
where:
Base-Base interactions energy: -76.261
where: short stacking energy: -73.593
Base-Backbone interact. energy: -0.532
local terms energy: -101.736210
where:
bonds (distance) C4'-P energy: -25.303
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -9.989
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: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -175.039540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.039540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.039540 (E_RNA)
where:
Base-Base interactions energy: -68.589
where: short stacking energy: -59.240
Base-Backbone interact. energy: 3.705
local terms energy: -110.155591
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -35.799
flat angles C4'-P-C4' energy: -25.960
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -5.249
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: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -580.547294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.547294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.547294 (E_RNA)
where:
Base-Base interactions energy: -406.585
where: short stacking energy: -184.272
Base-Backbone interact. energy: 0.419
local terms energy: -174.381375
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -33.984
flat angles C4'-P-C4' energy: -38.811
flat angles P-C4'-P energy: -25.153
tors. eta vs tors. theta energy: -52.930
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: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -542.541014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.541014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.541014 (E_RNA)
where:
Base-Base interactions energy: -362.984
where: short stacking energy: -169.476
Base-Backbone interact. energy: -0.446
local terms energy: -179.110722
where:
bonds (distance) C4'-P energy: -30.734
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -35.774
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -50.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -522.106991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.106991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.106991 (E_RNA)
where:
Base-Base interactions energy: -356.914
where: short stacking energy: -165.899
Base-Backbone interact. energy: -0.270
local terms energy: -164.923101
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -31.854
flat angles C4'-P-C4' energy: -30.891
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -48.723
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: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -495.401242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.401242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.401242 (E_RNA)
where:
Base-Base interactions energy: -333.802
where: short stacking energy: -155.418
Base-Backbone interact. energy: -0.095
local terms energy: -161.503782
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -33.407
flat angles C4'-P-C4' energy: -32.045
flat angles P-C4'-P energy: -21.395
tors. eta vs tors. theta energy: -46.675
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: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -409.125054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.125054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.125054 (E_RNA)
where:
Base-Base interactions energy: -266.539
where: short stacking energy: -125.658
Base-Backbone interact. energy: -2.066
local terms energy: -140.519882
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -34.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -429.393909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.393909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.393909 (E_RNA)
where:
Base-Base interactions energy: -280.348
where: short stacking energy: -130.979
Base-Backbone interact. energy: 1.058
local terms energy: -150.103303
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -33.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -386.557917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.557917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.557917 (E_RNA)
where:
Base-Base interactions energy: -247.765
where: short stacking energy: -122.000
Base-Backbone interact. energy: -0.984
local terms energy: -137.808137
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -35.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -196.684467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.684467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.684467 (E_RNA)
where:
Base-Base interactions energy: -86.847
where: short stacking energy: -81.753
Base-Backbone interact. energy: 4.547
local terms energy: -114.384578
where:
bonds (distance) C4'-P energy: -23.217
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -31.619
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -12.584
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: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -171.162732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.162732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.162732 (E_RNA)
where:
Base-Base interactions energy: -71.162
where: short stacking energy: -54.770
Base-Backbone interact. energy: -0.310
local terms energy: -99.691345
where:
bonds (distance) C4'-P energy: -23.669
bonds (distance) P-C4' energy: -29.522
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -19.259
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: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -175.951659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.951659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.951659 (E_RNA)
where:
Base-Base interactions energy: -74.934
where: short stacking energy: -65.522
Base-Backbone interact. energy: 0.574
local terms energy: -101.591099
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -28.442
flat angles C4'-P-C4' energy: -26.478
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -582.269707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.269707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.269707 (E_RNA)
where:
Base-Base interactions energy: -409.712
where: short stacking energy: -191.697
Base-Backbone interact. energy: -0.043
local terms energy: -172.514823
where:
bonds (distance) C4'-P energy: -31.142
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -25.368
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -532.373881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.373881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.373881 (E_RNA)
where:
Base-Base interactions energy: -351.790
where: short stacking energy: -157.315
Base-Backbone interact. energy: -0.206
local terms energy: -180.377169
where:
bonds (distance) C4'-P energy: -31.637
bonds (distance) P-C4' energy: -35.142
flat angles C4'-P-C4' energy: -39.761
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -47.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -528.318107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.318107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.318107 (E_RNA)
where:
Base-Base interactions energy: -352.026
where: short stacking energy: -173.608
Base-Backbone interact. energy: -2.184
local terms energy: -174.108530
where:
bonds (distance) C4'-P energy: -28.582
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -35.510
flat angles P-C4'-P energy: -28.568
tors. eta vs tors. theta energy: -50.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -499.657358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.657358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.657358 (E_RNA)
where:
Base-Base interactions energy: -336.342
where: short stacking energy: -157.812
Base-Backbone interact. energy: 0.243
local terms energy: -163.558373
where:
bonds (distance) C4'-P energy: -24.031
bonds (distance) P-C4' energy: -34.605
flat angles C4'-P-C4' energy: -35.033
flat angles P-C4'-P energy: -24.732
tors. eta vs tors. theta energy: -45.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -435.814119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.814119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.814119 (E_RNA)
where:
Base-Base interactions energy: -286.144
where: short stacking energy: -146.253
Base-Backbone interact. energy: -0.714
local terms energy: -148.956043
where:
bonds (distance) C4'-P energy: -27.490
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -34.089
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -34.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -482.416550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.416550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.416550 (E_RNA)
where:
Base-Base interactions energy: -341.359
where: short stacking energy: -160.573
Base-Backbone interact. energy: -0.580
local terms energy: -140.477226
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -26.489
flat angles P-C4'-P energy: -23.822
tors. eta vs tors. theta energy: -42.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -386.307062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.307062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.307062 (E_RNA)
where:
Base-Base interactions energy: -243.990
where: short stacking energy: -123.046
Base-Backbone interact. energy: 0.058
local terms energy: -142.375632
where:
bonds (distance) C4'-P energy: -35.016
bonds (distance) P-C4' energy: -31.444
flat angles C4'-P-C4' energy: -26.262
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: -31.458
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: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -235.063126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.063126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.063126 (E_RNA)
where:
Base-Base interactions energy: -133.410
where: short stacking energy: -85.255
Base-Backbone interact. energy: -0.398
local terms energy: -101.255269
where:
bonds (distance) C4'-P energy: -25.352
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -25.458
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -7.922
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: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -179.758073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.758073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.758073 (E_RNA)
where:
Base-Base interactions energy: -88.077
where: short stacking energy: -67.171
Base-Backbone interact. energy: -0.484
local terms energy: -91.197255
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -9.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -166.529060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.529060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.529060 (E_RNA)
where:
Base-Base interactions energy: -73.450
where: short stacking energy: -59.263
Base-Backbone interact. energy: -0.689
local terms energy: -92.390421
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -8.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -587.433860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.433860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.433860 (E_RNA)
where:
Base-Base interactions energy: -405.990
where: short stacking energy: -180.082
Base-Backbone interact. energy: -1.139
local terms energy: -180.304235
where:
bonds (distance) C4'-P energy: -32.497
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -33.876
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -50.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -535.529648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.529648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.529648 (E_RNA)
where:
Base-Base interactions energy: -368.392
where: short stacking energy: -168.001
Base-Backbone interact. energy: -0.683
local terms energy: -166.454162
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -35.299
flat angles C4'-P-C4' energy: -33.988
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: -48.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -535.216097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.216097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.216097 (E_RNA)
where:
Base-Base interactions energy: -370.934
where: short stacking energy: -175.872
Base-Backbone interact. energy: -0.209
local terms energy: -164.073091
where:
bonds (distance) C4'-P energy: -27.486
bonds (distance) P-C4' energy: -32.707
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -47.362
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: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -530.630283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.630283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.630283 (E_RNA)
where:
Base-Base interactions energy: -363.874
where: short stacking energy: -172.180
Base-Backbone interact. energy: -1.129
local terms energy: -165.627117
where:
bonds (distance) C4'-P energy: -24.009
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -33.706
flat angles P-C4'-P energy: -29.002
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: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -503.305963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.305963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.305963 (E_RNA)
where:
Base-Base interactions energy: -343.461
where: short stacking energy: -166.587
Base-Backbone interact. energy: -0.473
local terms energy: -159.372044
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -49.777
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: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -400.084212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.084212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.084212 (E_RNA)
where:
Base-Base interactions energy: -256.108
where: short stacking energy: -136.706
Base-Backbone interact. energy: -1.175
local terms energy: -142.800754
where:
bonds (distance) C4'-P energy: -28.520
bonds (distance) P-C4' energy: -34.068
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -29.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -393.781696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.781696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.781696 (E_RNA)
where:
Base-Base interactions energy: -249.330
where: short stacking energy: -123.326
Base-Backbone interact. energy: -0.954
local terms energy: -143.497661
where:
bonds (distance) C4'-P energy: -28.074
bonds (distance) P-C4' energy: -32.970
flat angles C4'-P-C4' energy: -28.530
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -33.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -230.450307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.450307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.450307 (E_RNA)
where:
Base-Base interactions energy: -130.672
where: short stacking energy: -86.719
Base-Backbone interact. energy: 1.802
local terms energy: -101.580299
where:
bonds (distance) C4'-P energy: -30.093
bonds (distance) P-C4' energy: -25.424
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -16.140
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: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -170.192366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.192366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.192366 (E_RNA)
where:
Base-Base interactions energy: -64.927
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.557
local terms energy: -104.709141
where:
bonds (distance) C4'-P energy: -35.587
bonds (distance) P-C4' energy: -27.774
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -171.720606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.720606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.720606 (E_RNA)
where:
Base-Base interactions energy: -79.613
where: short stacking energy: -59.521
Base-Backbone interact. energy: -1.041
local terms energy: -91.067135
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -26.176
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -587.563349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.563349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.563349 (E_RNA)
where:
Base-Base interactions energy: -407.475
where: short stacking energy: -183.133
Base-Backbone interact. energy: -1.131
local terms energy: -178.956993
where:
bonds (distance) C4'-P energy: -35.123
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -22.534
tors. eta vs tors. theta energy: -51.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -528.313489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.313489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.313489 (E_RNA)
where:
Base-Base interactions energy: -361.214
where: short stacking energy: -172.035
Base-Backbone interact. energy: -0.904
local terms energy: -166.195503
where:
bonds (distance) C4'-P energy: -30.869
bonds (distance) P-C4' energy: -37.008
flat angles C4'-P-C4' energy: -31.671
flat angles P-C4'-P energy: -25.379
tors. eta vs tors. theta energy: -41.269
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: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -519.721062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.721062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.721062 (E_RNA)
where:
Base-Base interactions energy: -351.926
where: short stacking energy: -165.020
Base-Backbone interact. energy: -0.071
local terms energy: -167.724535
where:
bonds (distance) C4'-P energy: -31.713
bonds (distance) P-C4' energy: -33.917
flat angles C4'-P-C4' energy: -33.511
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -48.635
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: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -530.982397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.982397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.982397 (E_RNA)
where:
Base-Base interactions energy: -367.668
where: short stacking energy: -183.675
Base-Backbone interact. energy: -0.442
local terms energy: -162.872008
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -35.978
flat angles P-C4'-P energy: -24.698
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: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -518.526418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.526418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.526418 (E_RNA)
where:
Base-Base interactions energy: -347.988
where: short stacking energy: -180.234
Base-Backbone interact. energy: -1.121
local terms energy: -169.417271
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -30.157
flat angles C4'-P-C4' energy: -35.204
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -49.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -434.528301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.528301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.528301 (E_RNA)
where:
Base-Base interactions energy: -282.727
where: short stacking energy: -132.706
Base-Backbone interact. energy: -0.887
local terms energy: -150.914714
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -32.138
flat angles C4'-P-C4' energy: -26.138
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -37.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -357.509162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.509162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.509162 (E_RNA)
where:
Base-Base interactions energy: -235.498
where: short stacking energy: -126.352
Base-Backbone interact. energy: -0.775
local terms energy: -121.236019
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -27.895
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: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -222.331987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.331987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.331987 (E_RNA)
where:
Base-Base interactions energy: -127.440
where: short stacking energy: -73.629
Base-Backbone interact. energy: -0.287
local terms energy: -94.605230
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -20.541
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -152.534163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.534163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.534163 (E_RNA)
where:
Base-Base interactions energy: -59.981
where: short stacking energy: -54.137
Base-Backbone interact. energy: -0.212
local terms energy: -92.342032
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: 0.009
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: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -167.540883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.540883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.540883 (E_RNA)
where:
Base-Base interactions energy: -68.679
where: short stacking energy: -52.341
Base-Backbone interact. energy: -1.837
local terms energy: -97.024486
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -32.735
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -19.404
tors. eta vs tors. theta energy: -6.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -593.605212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.605212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.605212 (E_RNA)
where:
Base-Base interactions energy: -421.455
where: short stacking energy: -184.098
Base-Backbone interact. energy: -0.490
local terms energy: -171.659854
where:
bonds (distance) C4'-P energy: -28.638
bonds (distance) P-C4' energy: -28.202
flat angles C4'-P-C4' energy: -37.912
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: -52.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -527.418333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.418333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.418333 (E_RNA)
where:
Base-Base interactions energy: -361.310
where: short stacking energy: -170.226
Base-Backbone interact. energy: -0.955
local terms energy: -165.152950
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -36.558
flat angles P-C4'-P energy: -26.172
tors. eta vs tors. theta energy: -47.259
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: 3, replica: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -528.658069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.658069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.658069 (E_RNA)
where:
Base-Base interactions energy: -357.087
where: short stacking energy: -178.964
Base-Backbone interact. energy: -0.037
local terms energy: -171.533729
where:
bonds (distance) C4'-P energy: -28.386
bonds (distance) P-C4' energy: -33.580
flat angles C4'-P-C4' energy: -35.420
flat angles P-C4'-P energy: -27.536
tors. eta vs tors. theta energy: -46.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -505.143467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.143467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.143467 (E_RNA)
where:
Base-Base interactions energy: -343.739
where: short stacking energy: -161.018
Base-Backbone interact. energy: -0.625
local terms energy: -160.779729
where:
bonds (distance) C4'-P energy: -29.396
bonds (distance) P-C4' energy: -28.322
flat angles C4'-P-C4' energy: -33.564
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -47.942
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: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -479.235819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.235819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.235819 (E_RNA)
where:
Base-Base interactions energy: -318.831
where: short stacking energy: -154.148
Base-Backbone interact. energy: -0.720
local terms energy: -159.684748
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -36.050
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -40.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -405.229637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.229637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.229637 (E_RNA)
where:
Base-Base interactions energy: -271.708
where: short stacking energy: -111.911
Base-Backbone interact. energy: -1.320
local terms energy: -132.201609
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -29.836
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: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -391.684244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.684244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.684244 (E_RNA)
where:
Base-Base interactions energy: -254.164
where: short stacking energy: -132.317
Base-Backbone interact. energy: -0.172
local terms energy: -137.348456
where:
bonds (distance) C4'-P energy: -32.222
bonds (distance) P-C4' energy: -32.085
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -31.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -216.864002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.864002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.864002 (E_RNA)
where:
Base-Base interactions energy: -104.146
where: short stacking energy: -71.730
Base-Backbone interact. energy: -1.432
local terms energy: -111.285965
where:
bonds (distance) C4'-P energy: -31.951
bonds (distance) P-C4' energy: -33.020
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -164.461139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.461139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.461139 (E_RNA)
where:
Base-Base interactions energy: -59.024
where: short stacking energy: -52.860
Base-Backbone interact. energy: -1.139
local terms energy: -104.298315
where:
bonds (distance) C4'-P energy: -28.595
bonds (distance) P-C4' energy: -27.602
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -157.827315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.827315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.827315 (E_RNA)
where:
Base-Base interactions energy: -72.645
where: short stacking energy: -72.903
Base-Backbone interact. energy: -0.636
local terms energy: -84.546294
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -28.424
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -3.772
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: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -580.552406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.552406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.552406 (E_RNA)
where:
Base-Base interactions energy: -403.263
where: short stacking energy: -183.118
Base-Backbone interact. energy: 1.137
local terms energy: -178.426661
where:
bonds (distance) C4'-P energy: -31.303
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -38.803
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -50.007
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: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -538.530456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.530456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.530456 (E_RNA)
where:
Base-Base interactions energy: -362.822
where: short stacking energy: -176.119
Base-Backbone interact. energy: -0.349
local terms energy: -175.359724
where:
bonds (distance) C4'-P energy: -28.421
bonds (distance) P-C4' energy: -33.468
flat angles C4'-P-C4' energy: -37.958
flat angles P-C4'-P energy: -21.002
tors. eta vs tors. theta energy: -54.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -515.671497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.671497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.671497 (E_RNA)
where:
Base-Base interactions energy: -351.055
where: short stacking energy: -163.136
Base-Backbone interact. energy: -1.350
local terms energy: -163.266317
where:
bonds (distance) C4'-P energy: -24.558
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -36.757
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -44.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -495.340260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.340260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.340260 (E_RNA)
where:
Base-Base interactions energy: -331.053
where: short stacking energy: -142.637
Base-Backbone interact. energy: -0.642
local terms energy: -163.646149
where:
bonds (distance) C4'-P energy: -26.884
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -34.271
flat angles P-C4'-P energy: -29.740
tors. eta vs tors. theta energy: -37.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -497.835007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.835007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.835007 (E_RNA)
where:
Base-Base interactions energy: -337.610
where: short stacking energy: -159.799
Base-Backbone interact. energy: -1.049
local terms energy: -159.175954
where:
bonds (distance) C4'-P energy: -27.052
bonds (distance) P-C4' energy: -29.953
flat angles C4'-P-C4' energy: -36.184
flat angles P-C4'-P energy: -23.874
tors. eta vs tors. theta energy: -42.111
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: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -414.251343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.251343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.251343 (E_RNA)
where:
Base-Base interactions energy: -274.447
where: short stacking energy: -127.713
Base-Backbone interact. energy: -0.819
local terms energy: -138.984515
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -33.193
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -29.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -373.731574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.731574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.731574 (E_RNA)
where:
Base-Base interactions energy: -238.049
where: short stacking energy: -125.053
Base-Backbone interact. energy: -1.473
local terms energy: -134.209620
where:
bonds (distance) C4'-P energy: -29.307
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -26.246
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: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -194.108561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.108561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.108561 (E_RNA)
where:
Base-Base interactions energy: -79.850
where: short stacking energy: -78.278
Base-Backbone interact. energy: -1.569
local terms energy: -112.689862
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -32.089
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -18.635
tors. eta vs tors. theta energy: -12.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -249.470409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.470409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.470409 (E_RNA)
where:
Base-Base interactions energy: -142.990
where: short stacking energy: -81.239
Base-Backbone interact. energy: -0.293
local terms energy: -106.187238
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -21.871
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: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -148.860523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.860523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.860523 (E_RNA)
where:
Base-Base interactions energy: -50.819
where: short stacking energy: -46.971
Base-Backbone interact. energy: -0.846
local terms energy: -97.194957
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -29.578
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -4.632
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: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -589.698975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.698975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.698975 (E_RNA)
where:
Base-Base interactions energy: -413.446
where: short stacking energy: -188.929
Base-Backbone interact. energy: -0.050
local terms energy: -176.203312
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -27.350
flat angles C4'-P-C4' energy: -38.530
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: -51.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -538.919485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.919485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.919485 (E_RNA)
where:
Base-Base interactions energy: -364.348
where: short stacking energy: -181.686
Base-Backbone interact. energy: -0.217
local terms energy: -174.354012
where:
bonds (distance) C4'-P energy: -26.772
bonds (distance) P-C4' energy: -33.100
flat angles C4'-P-C4' energy: -33.682
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -53.339
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: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -514.507860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.507860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.507860 (E_RNA)
where:
Base-Base interactions energy: -354.468
where: short stacking energy: -165.353
Base-Backbone interact. energy: -0.899
local terms energy: -159.141074
where:
bonds (distance) C4'-P energy: -25.916
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -36.251
flat angles P-C4'-P energy: -27.881
tors. eta vs tors. theta energy: -44.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -512.891633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.891633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.891633 (E_RNA)
where:
Base-Base interactions energy: -355.499
where: short stacking energy: -159.747
Base-Backbone interact. energy: -0.295
local terms energy: -157.097007
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -27.785
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -46.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -501.614710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.614710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.614710 (E_RNA)
where:
Base-Base interactions energy: -345.360
where: short stacking energy: -149.418
Base-Backbone interact. energy: -0.976
local terms energy: -155.278133
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -28.512
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -26.434
tors. eta vs tors. theta energy: -44.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -435.432718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.432718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.432718 (E_RNA)
where:
Base-Base interactions energy: -296.883
where: short stacking energy: -130.026
Base-Backbone interact. energy: 0.402
local terms energy: -138.951577
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -27.341
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -35.997
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: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -362.327420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.327420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.327420 (E_RNA)
where:
Base-Base interactions energy: -230.442
where: short stacking energy: -127.982
Base-Backbone interact. energy: -0.160
local terms energy: -131.725310
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -28.390
flat angles C4'-P-C4' energy: -27.971
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -30.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -211.448005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.448005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.448005 (E_RNA)
where:
Base-Base interactions energy: -104.205
where: short stacking energy: -66.534
Base-Backbone interact. energy: -0.220
local terms energy: -107.023218
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -33.221
flat angles C4'-P-C4' energy: -26.523
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -12.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -239.537847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.537847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.537847 (E_RNA)
where:
Base-Base interactions energy: -137.997
where: short stacking energy: -82.737
Base-Backbone interact. energy: 1.380
local terms energy: -102.920803
where:
bonds (distance) C4'-P energy: -29.853
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -25.563
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -7.039
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: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -159.153279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.153279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.153279 (E_RNA)
where:
Base-Base interactions energy: -69.719
where: short stacking energy: -46.593
Base-Backbone interact. energy: -0.405
local terms energy: -89.029403
where:
bonds (distance) C4'-P energy: -30.297
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -0.130
tors. eta vs tors. theta energy: -1.587
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: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -587.767466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.767466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.767466 (E_RNA)
where:
Base-Base interactions energy: -405.951
where: short stacking energy: -184.005
Base-Backbone interact. energy: -0.471
local terms energy: -181.345505
where:
bonds (distance) C4'-P energy: -37.000
bonds (distance) P-C4' energy: -37.850
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -48.928
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: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -543.053259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.053259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.053259 (E_RNA)
where:
Base-Base interactions energy: -363.732
where: short stacking energy: -174.369
Base-Backbone interact. energy: -0.583
local terms energy: -178.738833
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -36.825
flat angles C4'-P-C4' energy: -33.725
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: -50.551
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: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -527.583149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.583149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.583149 (E_RNA)
where:
Base-Base interactions energy: -359.058
where: short stacking energy: -168.363
Base-Backbone interact. energy: -0.805
local terms energy: -167.720088
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -35.088
flat angles C4'-P-C4' energy: -36.141
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -47.344
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: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -516.378073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.378073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.378073 (E_RNA)
where:
Base-Base interactions energy: -357.782
where: short stacking energy: -150.663
Base-Backbone interact. energy: -0.230
local terms energy: -158.365505
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -37.228
flat angles P-C4'-P energy: -26.795
tors. eta vs tors. theta energy: -42.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -505.574836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.574836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.574836 (E_RNA)
where:
Base-Base interactions energy: -345.734
where: short stacking energy: -159.028
Base-Backbone interact. energy: -0.727
local terms energy: -159.113054
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -31.178
flat angles C4'-P-C4' energy: -36.669
flat angles P-C4'-P energy: -20.146
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: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -460.527585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.527585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.527585 (E_RNA)
where:
Base-Base interactions energy: -314.892
where: short stacking energy: -146.745
Base-Backbone interact. energy: -1.446
local terms energy: -144.189837
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -28.939
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -42.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -365.134713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.134713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.134713 (E_RNA)
where:
Base-Base interactions energy: -225.358
where: short stacking energy: -119.002
Base-Backbone interact. energy: -0.561
local terms energy: -139.215531
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -28.627
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -38.533
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: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -186.278233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.278233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.278233 (E_RNA)
where:
Base-Base interactions energy: -76.021
where: short stacking energy: -67.504
Base-Backbone interact. energy: -1.582
local terms energy: -108.675442
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -34.541
flat angles C4'-P-C4' energy: -28.235
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -0.419
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: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -183.363105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.363105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.363105 (E_RNA)
where:
Base-Base interactions energy: -69.656
where: short stacking energy: -68.318
Base-Backbone interact. energy: -1.296
local terms energy: -112.411160
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -33.589
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -10.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -166.547499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.547499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.547499 (E_RNA)
where:
Base-Base interactions energy: -70.275
where: short stacking energy: -57.618
Base-Backbone interact. energy: -0.554
local terms energy: -95.718479
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -31.700
flat angles C4'-P-C4' energy: -26.850
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -1.971
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: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -583.185689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.185689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.185689 (E_RNA)
where:
Base-Base interactions energy: -410.342
where: short stacking energy: -179.415
Base-Backbone interact. energy: -0.282
local terms energy: -172.561072
where:
bonds (distance) C4'-P energy: -34.269
bonds (distance) P-C4' energy: -25.372
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -27.677
tors. eta vs tors. theta energy: -50.916
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: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -519.362867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.362867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.362867 (E_RNA)
where:
Base-Base interactions energy: -361.845
where: short stacking energy: -160.018
Base-Backbone interact. energy: -1.059
local terms energy: -156.458919
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -30.920
flat angles C4'-P-C4' energy: -32.140
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -40.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -515.305415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.305415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.305415 (E_RNA)
where:
Base-Base interactions energy: -351.119
where: short stacking energy: -172.616
Base-Backbone interact. energy: -0.467
local terms energy: -163.719732
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -32.274
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: -43.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -506.709266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.709266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.709266 (E_RNA)
where:
Base-Base interactions energy: -352.493
where: short stacking energy: -146.933
Base-Backbone interact. energy: -0.658
local terms energy: -153.558139
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -31.546
flat angles C4'-P-C4' energy: -35.006
flat angles P-C4'-P energy: -25.927
tors. eta vs tors. theta energy: -40.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -463.317277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.317277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.317277 (E_RNA)
where:
Base-Base interactions energy: -317.997
where: short stacking energy: -137.803
Base-Backbone interact. energy: -0.495
local terms energy: -144.825150
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -28.984
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -39.733
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: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -426.675729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.675729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.675729 (E_RNA)
where:
Base-Base interactions energy: -280.747
where: short stacking energy: -142.705
Base-Backbone interact. energy: -4.648
local terms energy: -141.280992
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -34.001
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -36.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -362.513408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.513408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.513408 (E_RNA)
where:
Base-Base interactions energy: -230.800
where: short stacking energy: -117.605
Base-Backbone interact. energy: -0.421
local terms energy: -131.292284
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -28.529
flat angles C4'-P-C4' energy: -34.954
flat angles P-C4'-P energy: -19.115
tors. eta vs tors. theta energy: -25.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -179.227796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.227796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.227796 (E_RNA)
where:
Base-Base interactions energy: -80.361
where: short stacking energy: -65.130
Base-Backbone interact. energy: 0.016
local terms energy: -98.883049
where:
bonds (distance) C4'-P energy: -25.883
bonds (distance) P-C4' energy: -30.300
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -180.045981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.045981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.045981 (E_RNA)
where:
Base-Base interactions energy: -87.274
where: short stacking energy: -62.872
Base-Backbone interact. energy: -1.051
local terms energy: -91.721501
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -32.625
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -8.165
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: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -152.390541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.390541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.390541 (E_RNA)
where:
Base-Base interactions energy: -61.512
where: short stacking energy: -59.377
Base-Backbone interact. energy: -0.060
local terms energy: -90.818905
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -30.225
flat angles P-C4'-P energy: -12.191
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: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -590.793696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.793696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.793696 (E_RNA)
where:
Base-Base interactions energy: -405.694
where: short stacking energy: -181.931
Base-Backbone interact. energy: -0.693
local terms energy: -184.407320
where:
bonds (distance) C4'-P energy: -37.199
bonds (distance) P-C4' energy: -34.020
flat angles C4'-P-C4' energy: -38.886
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -48.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -528.182433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.182433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.182433 (E_RNA)
where:
Base-Base interactions energy: -350.921
where: short stacking energy: -174.718
Base-Backbone interact. energy: -0.513
local terms energy: -176.748501
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -37.784
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -22.202
tors. eta vs tors. theta energy: -48.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -514.773807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.773807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.773807 (E_RNA)
where:
Base-Base interactions energy: -352.202
where: short stacking energy: -165.266
Base-Backbone interact. energy: -0.964
local terms energy: -161.607674
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -29.173
flat angles C4'-P-C4' energy: -32.753
flat angles P-C4'-P energy: -23.406
tors. eta vs tors. theta energy: -47.790
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: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -496.926915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.926915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.926915 (E_RNA)
where:
Base-Base interactions energy: -341.868
where: short stacking energy: -172.302
Base-Backbone interact. energy: -0.951
local terms energy: -154.107396
where:
bonds (distance) C4'-P energy: -30.579
bonds (distance) P-C4' energy: -30.076
flat angles C4'-P-C4' energy: -36.427
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -39.014
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: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -491.663563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.663563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.663563 (E_RNA)
where:
Base-Base interactions energy: -324.592
where: short stacking energy: -155.963
Base-Backbone interact. energy: -0.514
local terms energy: -166.557640
where:
bonds (distance) C4'-P energy: -36.858
bonds (distance) P-C4' energy: -27.068
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -25.419
tors. eta vs tors. theta energy: -46.413
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: 209
Temperature: 1.150000
Total energy: -427.116146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.116146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.116146 (E_RNA)
where:
Base-Base interactions energy: -276.607
where: short stacking energy: -143.954
Base-Backbone interact. energy: -1.667
local terms energy: -148.842200
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -33.575
flat angles C4'-P-C4' energy: -30.564
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -36.138
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: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -371.602037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.602037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.602037 (E_RNA)
where:
Base-Base interactions energy: -231.238
where: short stacking energy: -116.722
Base-Backbone interact. energy: -0.828
local terms energy: -139.536029
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -28.016
flat angles P-C4'-P energy: -22.795
tors. eta vs tors. theta energy: -29.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -188.904735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.904735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.904735 (E_RNA)
where:
Base-Base interactions energy: -77.097
where: short stacking energy: -53.246
Base-Backbone interact. energy: -1.355
local terms energy: -110.452725
where:
bonds (distance) C4'-P energy: -28.617
bonds (distance) P-C4' energy: -30.131
flat angles C4'-P-C4' energy: -29.269
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -0.840
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: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -164.492569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.492569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.492569 (E_RNA)
where:
Base-Base interactions energy: -64.249
where: short stacking energy: -53.523
Base-Backbone interact. energy: -0.311
local terms energy: -99.932374
where:
bonds (distance) C4'-P energy: -33.150
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -191.179767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.179767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.179767 (E_RNA)
where:
Base-Base interactions energy: -85.525
where: short stacking energy: -59.009
Base-Backbone interact. energy: -0.649
local terms energy: -105.005089
where:
bonds (distance) C4'-P energy: -31.590
bonds (distance) P-C4' energy: -30.963
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -590.546275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.546275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.546275 (E_RNA)
where:
Base-Base interactions energy: -413.534
where: short stacking energy: -185.397
Base-Backbone interact. energy: -0.377
local terms energy: -176.634732
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -33.038
flat angles C4'-P-C4' energy: -41.035
flat angles P-C4'-P energy: -27.239
tors. eta vs tors. theta energy: -49.170
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: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -542.301389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.301389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.301389 (E_RNA)
where:
Base-Base interactions energy: -362.725
where: short stacking energy: -179.162
Base-Backbone interact. energy: -1.074
local terms energy: -178.502810
where:
bonds (distance) C4'-P energy: -36.534
bonds (distance) P-C4' energy: -31.456
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -26.832
tors. eta vs tors. theta energy: -50.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -507.544180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.544180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.544180 (E_RNA)
where:
Base-Base interactions energy: -340.429
where: short stacking energy: -161.958
Base-Backbone interact. energy: -0.481
local terms energy: -166.633835
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -32.394
flat angles C4'-P-C4' energy: -33.050
flat angles P-C4'-P energy: -25.288
tors. eta vs tors. theta energy: -49.799
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: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -507.114089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.114089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.114089 (E_RNA)
where:
Base-Base interactions energy: -339.671
where: short stacking energy: -152.696
Base-Backbone interact. energy: -0.807
local terms energy: -166.636431
where:
bonds (distance) C4'-P energy: -33.597
bonds (distance) P-C4' energy: -32.356
flat angles C4'-P-C4' energy: -33.889
flat angles P-C4'-P energy: -25.465
tors. eta vs tors. theta energy: -41.329
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: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -505.085317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.085317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.085317 (E_RNA)
where:
Base-Base interactions energy: -343.613
where: short stacking energy: -156.749
Base-Backbone interact. energy: -2.313
local terms energy: -159.158765
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -36.243
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -45.949
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: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -405.894624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.894624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.894624 (E_RNA)
where:
Base-Base interactions energy: -260.302
where: short stacking energy: -133.195
Base-Backbone interact. energy: -1.112
local terms energy: -144.480302
where:
bonds (distance) C4'-P energy: -31.007
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -30.962
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: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -356.752897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.752897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.752897 (E_RNA)
where:
Base-Base interactions energy: -253.646
where: short stacking energy: -134.066
Base-Backbone interact. energy: 0.369
local terms energy: -103.475953
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -23.977
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -211.966174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.966174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.966174 (E_RNA)
where:
Base-Base interactions energy: -106.190
where: short stacking energy: -83.963
Base-Backbone interact. energy: -0.201
local terms energy: -105.575027
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -15.860
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: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -201.974844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.974844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.974844 (E_RNA)
where:
Base-Base interactions energy: -85.812
where: short stacking energy: -69.605
Base-Backbone interact. energy: 0.264
local terms energy: -116.427241
where:
bonds (distance) C4'-P energy: -30.314
bonds (distance) P-C4' energy: -34.737
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -23.669
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -160.884710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.884710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.884710 (E_RNA)
where:
Base-Base interactions energy: -49.901
where: short stacking energy: -50.005
Base-Backbone interact. energy: -0.261
local terms energy: -110.723308
where:
bonds (distance) C4'-P energy: -30.477
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -597.178799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.178799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.178799 (E_RNA)
where:
Base-Base interactions energy: -408.911
where: short stacking energy: -190.000
Base-Backbone interact. energy: -1.004
local terms energy: -187.263363
where:
bonds (distance) C4'-P energy: -27.618
bonds (distance) P-C4' energy: -39.403
flat angles C4'-P-C4' energy: -39.372
flat angles P-C4'-P energy: -28.287
tors. eta vs tors. theta energy: -52.584
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: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -533.012050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.012050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.012050 (E_RNA)
where:
Base-Base interactions energy: -366.602
where: short stacking energy: -161.327
Base-Backbone interact. energy: -1.072
local terms energy: -165.338731
where:
bonds (distance) C4'-P energy: -29.568
bonds (distance) P-C4' energy: -32.741
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -24.567
tors. eta vs tors. theta energy: -45.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -528.202047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.202047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.202047 (E_RNA)
where:
Base-Base interactions energy: -359.907
where: short stacking energy: -170.719
Base-Backbone interact. energy: -0.574
local terms energy: -167.721251
where:
bonds (distance) C4'-P energy: -33.285
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -28.156
tors. eta vs tors. theta energy: -52.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -499.956236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.956236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.956236 (E_RNA)
where:
Base-Base interactions energy: -334.256
where: short stacking energy: -157.821
Base-Backbone interact. energy: -0.740
local terms energy: -164.960312
where:
bonds (distance) C4'-P energy: -32.649
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -31.827
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -43.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -490.113828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.113828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.113828 (E_RNA)
where:
Base-Base interactions energy: -351.330
where: short stacking energy: -166.362
Base-Backbone interact. energy: -0.656
local terms energy: -138.128319
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -29.328
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -47.314
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: 211
Temperature: 1.150000
Total energy: -412.326963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.326963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.326963 (E_RNA)
where:
Base-Base interactions energy: -261.270
where: short stacking energy: -130.263
Base-Backbone interact. energy: -0.094
local terms energy: -150.962651
where:
bonds (distance) C4'-P energy: -29.909
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -25.995
tors. eta vs tors. theta energy: -37.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -381.285343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.285343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.285343 (E_RNA)
where:
Base-Base interactions energy: -244.447
where: short stacking energy: -119.646
Base-Backbone interact. energy: -0.299
local terms energy: -136.538976
where:
bonds (distance) C4'-P energy: -31.401
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -19.358
tors. eta vs tors. theta energy: -34.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -178.954847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.954847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.954847 (E_RNA)
where:
Base-Base interactions energy: -68.324
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.212
local terms energy: -110.418931
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -30.354
flat angles C4'-P-C4' energy: -35.110
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -8.954
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: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -242.584491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.584491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.584491 (E_RNA)
where:
Base-Base interactions energy: -138.076
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.427
local terms energy: -104.081364
where:
bonds (distance) C4'-P energy: -27.870
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -161.857874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.857874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.857874 (E_RNA)
where:
Base-Base interactions energy: -60.388
where: short stacking energy: -58.083
Base-Backbone interact. energy: 0.724
local terms energy: -102.193873
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -26.402
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -588.330457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.330457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.330457 (E_RNA)
where:
Base-Base interactions energy: -406.987
where: short stacking energy: -183.313
Base-Backbone interact. energy: -0.331
local terms energy: -181.013249
where:
bonds (distance) C4'-P energy: -35.222
bonds (distance) P-C4' energy: -33.258
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -54.109
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: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -542.458258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.458258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.458258 (E_RNA)
where:
Base-Base interactions energy: -365.280
where: short stacking energy: -182.522
Base-Backbone interact. energy: -0.627
local terms energy: -176.551918
where:
bonds (distance) C4'-P energy: -31.270
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -35.145
flat angles P-C4'-P energy: -28.817
tors. eta vs tors. theta energy: -51.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -528.202421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.202421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.202421 (E_RNA)
where:
Base-Base interactions energy: -362.534
where: short stacking energy: -178.562
Base-Backbone interact. energy: -0.417
local terms energy: -165.251726
where:
bonds (distance) C4'-P energy: -30.168
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -33.550
flat angles P-C4'-P energy: -27.247
tors. eta vs tors. theta energy: -47.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -491.738560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.738560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.738560 (E_RNA)
where:
Base-Base interactions energy: -323.624
where: short stacking energy: -163.995
Base-Backbone interact. energy: -0.526
local terms energy: -167.588431
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -34.903
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -23.663
tors. eta vs tors. theta energy: -45.442
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: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -502.202735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.202735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.202735 (E_RNA)
where:
Base-Base interactions energy: -336.934
where: short stacking energy: -155.968
Base-Backbone interact. energy: -0.652
local terms energy: -164.616657
where:
bonds (distance) C4'-P energy: -32.889
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -37.907
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -47.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -400.025908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.025908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.025908 (E_RNA)
where:
Base-Base interactions energy: -258.822
where: short stacking energy: -124.815
Base-Backbone interact. energy: -0.617
local terms energy: -140.587729
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -33.616
flat angles C4'-P-C4' energy: -36.024
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -31.087
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: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -370.259933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.259933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.259933 (E_RNA)
where:
Base-Base interactions energy: -233.453
where: short stacking energy: -138.519
Base-Backbone interact. energy: -0.206
local terms energy: -136.601135
where:
bonds (distance) C4'-P energy: -25.263
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -21.098
tors. eta vs tors. theta energy: -34.684
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: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -194.303037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.303037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.303037 (E_RNA)
where:
Base-Base interactions energy: -104.916
where: short stacking energy: -66.504
Base-Backbone interact. energy: 0.738
local terms energy: -90.125002
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: 1.914
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: 3
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -246.365930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.365930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.365930 (E_RNA)
where:
Base-Base interactions energy: -128.515
where: short stacking energy: -73.489
Base-Backbone interact. energy: -0.515
local terms energy: -117.335969
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -34.483
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -22.119
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -192.806392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.806392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.806392 (E_RNA)
where:
Base-Base interactions energy: -82.560
where: short stacking energy: -63.268
Base-Backbone interact. energy: 1.513
local terms energy: -111.759325
where:
bonds (distance) C4'-P energy: -27.722
bonds (distance) P-C4' energy: -30.099
flat angles C4'-P-C4' energy: -29.793
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -11.260
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: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -584.078328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.078328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.078328 (E_RNA)
where:
Base-Base interactions energy: -402.989
where: short stacking energy: -181.096
Base-Backbone interact. energy: -0.323
local terms energy: -180.766825
where:
bonds (distance) C4'-P energy: -34.433
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -37.276
flat angles P-C4'-P energy: -27.301
tors. eta vs tors. theta energy: -52.337
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: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -533.599153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.599153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.599153 (E_RNA)
where:
Base-Base interactions energy: -364.482
where: short stacking energy: -184.390
Base-Backbone interact. energy: -0.298
local terms energy: -168.819305
where:
bonds (distance) C4'-P energy: -31.667
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -37.378
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: -49.648
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: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -525.386571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.386571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.386571 (E_RNA)
where:
Base-Base interactions energy: -358.155
where: short stacking energy: -170.892
Base-Backbone interact. energy: -0.054
local terms energy: -167.177559
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -36.627
flat angles C4'-P-C4' energy: -28.896
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -48.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -515.145871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.145871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.145871 (E_RNA)
where:
Base-Base interactions energy: -343.194
where: short stacking energy: -155.641
Base-Backbone interact. energy: -0.641
local terms energy: -171.310334
where:
bonds (distance) C4'-P energy: -32.927
bonds (distance) P-C4' energy: -29.035
flat angles C4'-P-C4' energy: -35.740
flat angles P-C4'-P energy: -29.515
tors. eta vs tors. theta energy: -44.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -476.578465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.578465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.578465 (E_RNA)
where:
Base-Base interactions energy: -316.315
where: short stacking energy: -158.314
Base-Backbone interact. energy: -1.572
local terms energy: -158.691066
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -39.341
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -45.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -392.992083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.992083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.992083 (E_RNA)
where:
Base-Base interactions energy: -257.690
where: short stacking energy: -120.201
Base-Backbone interact. energy: 0.416
local terms energy: -135.717354
where:
bonds (distance) C4'-P energy: -28.155
bonds (distance) P-C4' energy: -31.848
flat angles C4'-P-C4' energy: -28.413
flat angles P-C4'-P energy: -18.288
tors. eta vs tors. theta energy: -29.014
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: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -377.999504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.999504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.999504 (E_RNA)
where:
Base-Base interactions energy: -236.038
where: short stacking energy: -109.886
Base-Backbone interact. energy: -0.485
local terms energy: -141.476130
where:
bonds (distance) C4'-P energy: -26.223
bonds (distance) P-C4' energy: -33.054
flat angles C4'-P-C4' energy: -33.734
flat angles P-C4'-P energy: -23.392
tors. eta vs tors. theta energy: -25.073
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: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -258.705594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.705594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.705594 (E_RNA)
where:
Base-Base interactions energy: -144.865
where: short stacking energy: -82.600
Base-Backbone interact. energy: 0.401
local terms energy: -114.241868
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -29.500
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -187.278051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.278051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.278051 (E_RNA)
where:
Base-Base interactions energy: -90.276
where: short stacking energy: -66.019
Base-Backbone interact. energy: 4.728
local terms energy: -101.729388
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -30.207
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -2.049
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: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -152.499346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.499346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.499346 (E_RNA)
where:
Base-Base interactions energy: -61.357
where: short stacking energy: -53.763
Base-Backbone interact. energy: 0.581
local terms energy: -91.723266
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -2.315
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: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -577.766955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.766955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.766955 (E_RNA)
where:
Base-Base interactions energy: -404.348
where: short stacking energy: -185.478
Base-Backbone interact. energy: -0.331
local terms energy: -173.087694
where:
bonds (distance) C4'-P energy: -25.933
bonds (distance) P-C4' energy: -37.838
flat angles C4'-P-C4' energy: -38.167
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -50.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -555.961193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.961193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.961193 (E_RNA)
where:
Base-Base interactions energy: -383.295
where: short stacking energy: -179.582
Base-Backbone interact. energy: -1.082
local terms energy: -171.584063
where:
bonds (distance) C4'-P energy: -23.598
bonds (distance) P-C4' energy: -34.973
flat angles C4'-P-C4' energy: -36.148
flat angles P-C4'-P energy: -25.286
tors. eta vs tors. theta energy: -51.579
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: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -520.847387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.847387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.847387 (E_RNA)
where:
Base-Base interactions energy: -357.024
where: short stacking energy: -153.000
Base-Backbone interact. energy: -1.093
local terms energy: -162.730615
where:
bonds (distance) C4'-P energy: -29.410
bonds (distance) P-C4' energy: -31.738
flat angles C4'-P-C4' energy: -35.007
flat angles P-C4'-P energy: -22.376
tors. eta vs tors. theta energy: -44.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -528.464395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.464395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.464395 (E_RNA)
where:
Base-Base interactions energy: -364.709
where: short stacking energy: -176.403
Base-Backbone interact. energy: -0.087
local terms energy: -163.668445
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -32.720
flat angles C4'-P-C4' energy: -36.775
flat angles P-C4'-P energy: -24.128
tors. eta vs tors. theta energy: -47.259
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: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -448.333233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.333233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.333233 (E_RNA)
where:
Base-Base interactions energy: -297.916
where: short stacking energy: -144.896
Base-Backbone interact. energy: -2.421
local terms energy: -147.996367
where:
bonds (distance) C4'-P energy: -25.027
bonds (distance) P-C4' energy: -30.217
flat angles C4'-P-C4' energy: -30.841
flat angles P-C4'-P energy: -24.214
tors. eta vs tors. theta energy: -37.698
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: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -398.445399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.445399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.445399 (E_RNA)
where:
Base-Base interactions energy: -259.466
where: short stacking energy: -132.887
Base-Backbone interact. energy: -1.213
local terms energy: -137.766433
where:
bonds (distance) C4'-P energy: -25.102
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: -32.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -388.980786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.980786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.980786 (E_RNA)
where:
Base-Base interactions energy: -247.861
where: short stacking energy: -117.100
Base-Backbone interact. energy: -0.886
local terms energy: -140.234078
where:
bonds (distance) C4'-P energy: -29.811
bonds (distance) P-C4' energy: -35.441
flat angles C4'-P-C4' energy: -31.023
flat angles P-C4'-P energy: -18.009
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: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -264.094984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.094984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.094984 (E_RNA)
where:
Base-Base interactions energy: -143.851
where: short stacking energy: -86.585
Base-Backbone interact. energy: 0.914
local terms energy: -121.157960
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -32.184
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -212.089184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.089184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.089184 (E_RNA)
where:
Base-Base interactions energy: -115.481
where: short stacking energy: -72.903
Base-Backbone interact. energy: -0.303
local terms energy: -96.304617
where:
bonds (distance) C4'-P energy: -21.921
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -169.740257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.740257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.740257 (E_RNA)
where:
Base-Base interactions energy: -86.709
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.331
local terms energy: -82.699424
where:
bonds (distance) C4'-P energy: -24.807
bonds (distance) P-C4' energy: -29.017
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -584.119546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.119546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.119546 (E_RNA)
where:
Base-Base interactions energy: -409.202
where: short stacking energy: -179.043
Base-Backbone interact. energy: 0.368
local terms energy: -175.285447
where:
bonds (distance) C4'-P energy: -28.484
bonds (distance) P-C4' energy: -35.127
flat angles C4'-P-C4' energy: -34.448
flat angles P-C4'-P energy: -27.809
tors. eta vs tors. theta energy: -49.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -537.239668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.239668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.239668 (E_RNA)
where:
Base-Base interactions energy: -363.518
where: short stacking energy: -166.877
Base-Backbone interact. energy: -0.069
local terms energy: -173.651909
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -46.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -513.917740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.917740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.917740 (E_RNA)
where:
Base-Base interactions energy: -360.192
where: short stacking energy: -139.470
Base-Backbone interact. energy: 1.457
local terms energy: -155.182558
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -31.230
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -25.985
tors. eta vs tors. theta energy: -41.543
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: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -525.548934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.548934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.548934 (E_RNA)
where:
Base-Base interactions energy: -354.959
where: short stacking energy: -173.656
Base-Backbone interact. energy: -0.754
local terms energy: -169.835498
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -27.584
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -49.550
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: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -464.747843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.747843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.747843 (E_RNA)
where:
Base-Base interactions energy: -324.069
where: short stacking energy: -146.070
Base-Backbone interact. energy: -0.327
local terms energy: -140.352292
where:
bonds (distance) C4'-P energy: -25.713
bonds (distance) P-C4' energy: -27.648
flat angles C4'-P-C4' energy: -32.000
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -32.215
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: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -414.588550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.588550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.588550 (E_RNA)
where:
Base-Base interactions energy: -279.518
where: short stacking energy: -129.775
Base-Backbone interact. energy: 2.484
local terms energy: -137.555213
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -33.368
flat angles P-C4'-P energy: -17.904
tors. eta vs tors. theta energy: -35.867
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: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -372.575740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.575740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.575740 (E_RNA)
where:
Base-Base interactions energy: -247.612
where: short stacking energy: -130.038
Base-Backbone interact. energy: 5.652
local terms energy: -130.615694
where:
bonds (distance) C4'-P energy: -25.997
bonds (distance) P-C4' energy: -34.334
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -245.448122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.448122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.448122 (E_RNA)
where:
Base-Base interactions energy: -127.771
where: short stacking energy: -81.285
Base-Backbone interact. energy: -0.477
local terms energy: -117.200589
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -31.643
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -22.366
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -260.341698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.341698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.341698 (E_RNA)
where:
Base-Base interactions energy: -132.189
where: short stacking energy: -74.587
Base-Backbone interact. energy: 0.084
local terms energy: -128.236945
where:
bonds (distance) C4'-P energy: -32.018
bonds (distance) P-C4' energy: -32.966
flat angles C4'-P-C4' energy: -34.422
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -157.346950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.346950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.346950 (E_RNA)
where:
Base-Base interactions energy: -55.101
where: short stacking energy: -47.882
Base-Backbone interact. energy: -0.380
local terms energy: -101.866844
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -28.218
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -585.200002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.200002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.200002 (E_RNA)
where:
Base-Base interactions energy: -412.602
where: short stacking energy: -189.816
Base-Backbone interact. energy: -0.002
local terms energy: -172.596285
where:
bonds (distance) C4'-P energy: -33.689
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -24.233
tors. eta vs tors. theta energy: -50.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -539.504103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.504103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.504103 (E_RNA)
where:
Base-Base interactions energy: -366.971
where: short stacking energy: -174.159
Base-Backbone interact. energy: -0.145
local terms energy: -172.388057
where:
bonds (distance) C4'-P energy: -31.270
bonds (distance) P-C4' energy: -34.346
flat angles C4'-P-C4' energy: -33.631
flat angles P-C4'-P energy: -20.255
tors. eta vs tors. theta energy: -52.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -528.664607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.664607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.664607 (E_RNA)
where:
Base-Base interactions energy: -355.160
where: short stacking energy: -167.687
Base-Backbone interact. energy: -1.307
local terms energy: -172.197735
where:
bonds (distance) C4'-P energy: -32.652
bonds (distance) P-C4' energy: -26.221
flat angles C4'-P-C4' energy: -38.267
flat angles P-C4'-P energy: -25.652
tors. eta vs tors. theta energy: -49.405
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: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -500.405656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.405656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.405656 (E_RNA)
where:
Base-Base interactions energy: -336.365
where: short stacking energy: -144.934
Base-Backbone interact. energy: -1.634
local terms energy: -162.406629
where:
bonds (distance) C4'-P energy: -29.020
bonds (distance) P-C4' energy: -31.284
flat angles C4'-P-C4' energy: -39.087
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -37.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -473.984618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.984618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.984618 (E_RNA)
where:
Base-Base interactions energy: -319.836
where: short stacking energy: -144.061
Base-Backbone interact. energy: -1.194
local terms energy: -152.955091
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -35.894
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: -35.448
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: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -422.882091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.882091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.882091 (E_RNA)
where:
Base-Base interactions energy: -286.691
where: short stacking energy: -137.449
Base-Backbone interact. energy: 1.596
local terms energy: -137.786819
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -34.033
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -36.493
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: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -355.717072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.717072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.717072 (E_RNA)
where:
Base-Base interactions energy: -240.629
where: short stacking energy: -123.588
Base-Backbone interact. energy: 0.747
local terms energy: -115.834614
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -28.944
flat angles C4'-P-C4' energy: -27.039
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -23.381
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: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -261.977221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.977221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.977221 (E_RNA)
where:
Base-Base interactions energy: -158.271
where: short stacking energy: -84.717
Base-Backbone interact. energy: -0.364
local terms energy: -103.342463
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -30.217
flat angles C4'-P-C4' energy: -26.587
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -8.692
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: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -260.934829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.934829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.934829 (E_RNA)
where:
Base-Base interactions energy: -148.302
where: short stacking energy: -77.953
Base-Backbone interact. energy: -0.926
local terms energy: -111.706850
where:
bonds (distance) C4'-P energy: -26.887
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -28.375
flat angles P-C4'-P energy: -18.087
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: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -161.819451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.819451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.819451 (E_RNA)
where:
Base-Base interactions energy: -58.574
where: short stacking energy: -53.297
Base-Backbone interact. energy: -0.137
local terms energy: -103.108797
where:
bonds (distance) C4'-P energy: -29.207
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -27.816
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -593.056324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.056324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.056324 (E_RNA)
where:
Base-Base interactions energy: -415.155
where: short stacking energy: -185.224
Base-Backbone interact. energy: -0.298
local terms energy: -177.603080
where:
bonds (distance) C4'-P energy: -30.210
bonds (distance) P-C4' energy: -30.666
flat angles C4'-P-C4' energy: -38.903
flat angles P-C4'-P energy: -27.178
tors. eta vs tors. theta energy: -50.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -547.525560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.525560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.525560 (E_RNA)
where:
Base-Base interactions energy: -380.734
where: short stacking energy: -175.490
Base-Backbone interact. energy: -0.585
local terms energy: -166.207343
where:
bonds (distance) C4'-P energy: -28.934
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -35.279
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -50.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -517.735166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.735166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.735166 (E_RNA)
where:
Base-Base interactions energy: -342.062
where: short stacking energy: -171.621
Base-Backbone interact. energy: -0.690
local terms energy: -174.982781
where:
bonds (distance) C4'-P energy: -28.596
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -35.440
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -52.329
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: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -506.834094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.834094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.834094 (E_RNA)
where:
Base-Base interactions energy: -341.431
where: short stacking energy: -156.579
Base-Backbone interact. energy: -0.569
local terms energy: -164.833982
where:
bonds (distance) C4'-P energy: -33.969
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -35.660
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -42.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -468.162017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.162017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.162017 (E_RNA)
where:
Base-Base interactions energy: -316.742
where: short stacking energy: -144.575
Base-Backbone interact. energy: -0.259
local terms energy: -151.160973
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -32.202
flat angles C4'-P-C4' energy: -30.871
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: -34.356
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: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -402.023490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.023490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.023490 (E_RNA)
where:
Base-Base interactions energy: -251.308
where: short stacking energy: -115.184
Base-Backbone interact. energy: 0.152
local terms energy: -150.867349
where:
bonds (distance) C4'-P energy: -32.713
bonds (distance) P-C4' energy: -31.490
flat angles C4'-P-C4' energy: -34.622
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -31.683
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: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -380.706067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.706067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.706067 (E_RNA)
where:
Base-Base interactions energy: -239.328
where: short stacking energy: -107.920
Base-Backbone interact. energy: -0.503
local terms energy: -140.875267
where:
bonds (distance) C4'-P energy: -32.010
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -23.583
tors. eta vs tors. theta energy: -21.137
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: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -254.135583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.135583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.135583 (E_RNA)
where:
Base-Base interactions energy: -163.303
where: short stacking energy: -97.665
Base-Backbone interact. energy: 0.203
local terms energy: -91.035851
where:
bonds (distance) C4'-P energy: -22.477
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -27.484
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -7.205
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: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -170.032185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.032185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.032185 (E_RNA)
where:
Base-Base interactions energy: -58.900
where: short stacking energy: -36.630
Base-Backbone interact. energy: -0.390
local terms energy: -110.742785
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -35.973
flat angles C4'-P-C4' energy: -34.747
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: 1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -160.679644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.679644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.679644 (E_RNA)
where:
Base-Base interactions energy: -56.063
where: short stacking energy: -43.007
Base-Backbone interact. energy: 3.410
local terms energy: -108.026528
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -35.281
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -579.419834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.419834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.419834 (E_RNA)
where:
Base-Base interactions energy: -404.721
where: short stacking energy: -183.134
Base-Backbone interact. energy: -0.416
local terms energy: -174.283496
where:
bonds (distance) C4'-P energy: -29.815
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -35.987
flat angles P-C4'-P energy: -25.899
tors. eta vs tors. theta energy: -49.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -549.170165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.170165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.170165 (E_RNA)
where:
Base-Base interactions energy: -366.329
where: short stacking energy: -176.045
Base-Backbone interact. energy: -0.501
local terms energy: -182.340227
where:
bonds (distance) C4'-P energy: -36.226
bonds (distance) P-C4' energy: -36.618
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -53.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -516.388968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.388968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.388968 (E_RNA)
where:
Base-Base interactions energy: -352.613
where: short stacking energy: -161.045
Base-Backbone interact. energy: -0.102
local terms energy: -163.674508
where:
bonds (distance) C4'-P energy: -28.634
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -36.707
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -44.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -508.837175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.837175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.837175 (E_RNA)
where:
Base-Base interactions energy: -345.318
where: short stacking energy: -155.875
Base-Backbone interact. energy: 0.198
local terms energy: -163.716675
where:
bonds (distance) C4'-P energy: -29.915
bonds (distance) P-C4' energy: -31.470
flat angles C4'-P-C4' energy: -30.621
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -46.391
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: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -462.858637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.858637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.858637 (E_RNA)
where:
Base-Base interactions energy: -320.890
where: short stacking energy: -142.866
Base-Backbone interact. energy: -0.987
local terms energy: -140.981865
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -33.943
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -36.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -421.384268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.384268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.384268 (E_RNA)
where:
Base-Base interactions energy: -278.288
where: short stacking energy: -132.587
Base-Backbone interact. energy: -0.238
local terms energy: -142.857652
where:
bonds (distance) C4'-P energy: -29.589
bonds (distance) P-C4' energy: -27.193
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -31.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -378.694968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.694968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.694968 (E_RNA)
where:
Base-Base interactions energy: -253.741
where: short stacking energy: -126.883
Base-Backbone interact. energy: -0.081
local terms energy: -124.873381
where:
bonds (distance) C4'-P energy: -25.204
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -26.947
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: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -274.537643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.537643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.537643 (E_RNA)
where:
Base-Base interactions energy: -163.920
where: short stacking energy: -92.690
Base-Backbone interact. energy: -1.371
local terms energy: -109.246553
where:
bonds (distance) C4'-P energy: -26.896
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -18.000
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: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -188.706505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.706505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.706505 (E_RNA)
where:
Base-Base interactions energy: -92.937
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.123
local terms energy: -95.647381
where:
bonds (distance) C4'-P energy: -27.370
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: 2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -168.739600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.739600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.739600 (E_RNA)
where:
Base-Base interactions energy: -65.210
where: short stacking energy: -62.784
Base-Backbone interact. energy: -0.061
local terms energy: -103.468462
where:
bonds (distance) C4'-P energy: -26.322
bonds (distance) P-C4' energy: -32.050
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -9.620
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: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -583.872107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.872107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.872107 (E_RNA)
where:
Base-Base interactions energy: -412.226
where: short stacking energy: -173.263
Base-Backbone interact. energy: -0.326
local terms energy: -171.319717
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -33.396
flat angles C4'-P-C4' energy: -35.604
flat angles P-C4'-P energy: -25.598
tors. eta vs tors. theta energy: -50.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -531.537683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.537683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.537683 (E_RNA)
where:
Base-Base interactions energy: -353.898
where: short stacking energy: -165.532
Base-Backbone interact. energy: -0.676
local terms energy: -176.964178
where:
bonds (distance) C4'-P energy: -28.539
bonds (distance) P-C4' energy: -35.306
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -27.072
tors. eta vs tors. theta energy: -49.712
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: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -504.985937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.985937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.985937 (E_RNA)
where:
Base-Base interactions energy: -335.908
where: short stacking energy: -154.156
Base-Backbone interact. energy: 0.243
local terms energy: -169.321494
where:
bonds (distance) C4'-P energy: -33.985
bonds (distance) P-C4' energy: -32.035
flat angles C4'-P-C4' energy: -38.297
flat angles P-C4'-P energy: -19.945
tors. eta vs tors. theta energy: -45.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -512.138644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.138644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.138644 (E_RNA)
where:
Base-Base interactions energy: -344.799
where: short stacking energy: -165.417
Base-Backbone interact. energy: -1.242
local terms energy: -166.097575
where:
bonds (distance) C4'-P energy: -25.744
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -38.463
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -48.286
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: 219
Temperature: 1.100000
Total energy: -492.844727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.844727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.844727 (E_RNA)
where:
Base-Base interactions energy: -326.342
where: short stacking energy: -155.634
Base-Backbone interact. energy: -1.377
local terms energy: -165.125758
where:
bonds (distance) C4'-P energy: -30.910
bonds (distance) P-C4' energy: -27.876
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -24.106
tors. eta vs tors. theta energy: -49.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -412.997932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.997932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.997932 (E_RNA)
where:
Base-Base interactions energy: -268.183
where: short stacking energy: -136.528
Base-Backbone interact. energy: -0.945
local terms energy: -143.870341
where:
bonds (distance) C4'-P energy: -27.433
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -30.675
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -35.894
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: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -389.701790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.701790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.701790 (E_RNA)
where:
Base-Base interactions energy: -257.266
where: short stacking energy: -122.850
Base-Backbone interact. energy: -0.484
local terms energy: -131.952366
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -27.689
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -29.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -320.722473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.722473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.722473 (E_RNA)
where:
Base-Base interactions energy: -202.962
where: short stacking energy: -96.901
Base-Backbone interact. energy: 3.399
local terms energy: -121.159546
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -34.094
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -170.920925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.920925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.920925 (E_RNA)
where:
Base-Base interactions energy: -69.082
where: short stacking energy: -66.256
Base-Backbone interact. energy: 2.661
local terms energy: -104.500480
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -27.514
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -153.542735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.542735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.542735 (E_RNA)
where:
Base-Base interactions energy: -59.619
where: short stacking energy: -44.738
Base-Backbone interact. energy: -1.931
local terms energy: -91.992966
where:
bonds (distance) C4'-P energy: -26.973
bonds (distance) P-C4' energy: -29.933
flat angles C4'-P-C4' energy: -28.426
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: 4.526
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: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -552.682540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.682540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.682540 (E_RNA)
where:
Base-Base interactions energy: -371.935
where: short stacking energy: -173.956
Base-Backbone interact. energy: -2.901
local terms energy: -177.846853
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -33.427
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -26.538
tors. eta vs tors. theta energy: -53.030
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: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -581.811918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.811918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.811918 (E_RNA)
where:
Base-Base interactions energy: -412.611
where: short stacking energy: -178.331
Base-Backbone interact. energy: -0.299
local terms energy: -168.901419
where:
bonds (distance) C4'-P energy: -31.317
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -50.001
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -536.568754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.568754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.568754 (E_RNA)
where:
Base-Base interactions energy: -363.385
where: short stacking energy: -185.337
Base-Backbone interact. energy: -1.023
local terms energy: -172.161508
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -35.571
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -54.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -506.507263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.507263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.507263 (E_RNA)
where:
Base-Base interactions energy: -344.271
where: short stacking energy: -151.776
Base-Backbone interact. energy: 0.489
local terms energy: -162.724540
where:
bonds (distance) C4'-P energy: -35.732
bonds (distance) P-C4' energy: -29.433
flat angles C4'-P-C4' energy: -36.199
flat angles P-C4'-P energy: -16.264
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: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -491.811479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.811479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.811479 (E_RNA)
where:
Base-Base interactions energy: -323.842
where: short stacking energy: -155.093
Base-Backbone interact. energy: -0.089
local terms energy: -167.879634
where:
bonds (distance) C4'-P energy: -32.910
bonds (distance) P-C4' energy: -31.935
flat angles C4'-P-C4' energy: -31.573
flat angles P-C4'-P energy: -26.127
tors. eta vs tors. theta energy: -45.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -403.259128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.259128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.259128 (E_RNA)
where:
Base-Base interactions energy: -258.481
where: short stacking energy: -118.234
Base-Backbone interact. energy: -0.376
local terms energy: -144.402093
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -28.883
flat angles C4'-P-C4' energy: -34.095
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -34.723
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: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -409.654484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.654484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.654484 (E_RNA)
where:
Base-Base interactions energy: -269.661
where: short stacking energy: -129.717
Base-Backbone interact. energy: -0.339
local terms energy: -139.654066
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -27.387
flat angles C4'-P-C4' energy: -34.310
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -35.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -323.299760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.299760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.299760 (E_RNA)
where:
Base-Base interactions energy: -204.309
where: short stacking energy: -121.050
Base-Backbone interact. energy: 0.077
local terms energy: -119.068561
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -29.516
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -22.727
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: 9, replica: 3
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -174.389174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.389174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.389174 (E_RNA)
where:
Base-Base interactions energy: -67.723
where: short stacking energy: -61.278
Base-Backbone interact. energy: 0.074
local terms energy: -106.739931
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -156.221266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.221266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.221266 (E_RNA)
where:
Base-Base interactions energy: -72.224
where: short stacking energy: -44.003
Base-Backbone interact. energy: -1.186
local terms energy: -82.810992
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -0.888
tors. eta vs tors. theta energy: 1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -560.163916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.163916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.163916 (E_RNA)
where:
Base-Base interactions energy: -381.173
where: short stacking energy: -184.964
Base-Backbone interact. energy: -0.022
local terms energy: -178.968496
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -35.242
flat angles C4'-P-C4' energy: -38.057
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: -51.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -575.088076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.088076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.088076 (E_RNA)
where:
Base-Base interactions energy: -402.518
where: short stacking energy: -179.818
Base-Backbone interact. energy: -0.593
local terms energy: -171.976870
where:
bonds (distance) C4'-P energy: -32.405
bonds (distance) P-C4' energy: -32.771
flat angles C4'-P-C4' energy: -34.840
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -47.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -533.644880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.644880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.644880 (E_RNA)
where:
Base-Base interactions energy: -357.959
where: short stacking energy: -167.290
Base-Backbone interact. energy: -0.620
local terms energy: -175.065831
where:
bonds (distance) C4'-P energy: -27.340
bonds (distance) P-C4' energy: -38.392
flat angles C4'-P-C4' energy: -35.450
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: -51.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -503.573773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.573773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.573773 (E_RNA)
where:
Base-Base interactions energy: -354.882
where: short stacking energy: -163.092
Base-Backbone interact. energy: -0.506
local terms energy: -148.184965
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -38.295
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -37.529
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: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -458.793209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.793209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.793209 (E_RNA)
where:
Base-Base interactions energy: -303.110
where: short stacking energy: -152.272
Base-Backbone interact. energy: -1.849
local terms energy: -153.834491
where:
bonds (distance) C4'-P energy: -33.974
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -42.696
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: 221
Temperature: 1.150000
Total energy: -430.276995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.276995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.276995 (E_RNA)
where:
Base-Base interactions energy: -279.689
where: short stacking energy: -135.767
Base-Backbone interact. energy: -0.698
local terms energy: -149.889968
where:
bonds (distance) C4'-P energy: -32.987
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -23.665
tors. eta vs tors. theta energy: -37.015
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: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -374.024062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.024062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.024062 (E_RNA)
where:
Base-Base interactions energy: -247.086
where: short stacking energy: -115.630
Base-Backbone interact. energy: 0.961
local terms energy: -127.899276
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -32.052
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -30.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -356.632165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.632165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.632165 (E_RNA)
where:
Base-Base interactions energy: -214.666
where: short stacking energy: -105.500
Base-Backbone interact. energy: -0.585
local terms energy: -141.381881
where:
bonds (distance) C4'-P energy: -30.496
bonds (distance) P-C4' energy: -26.774
flat angles C4'-P-C4' energy: -29.748
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -31.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -156.758390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.758390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.758390 (E_RNA)
where:
Base-Base interactions energy: -56.001
where: short stacking energy: -51.518
Base-Backbone interact. energy: -1.198
local terms energy: -99.559737
where:
bonds (distance) C4'-P energy: -25.726
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -26.947
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -5.388
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: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -151.195158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.195158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.195158 (E_RNA)
where:
Base-Base interactions energy: -59.456
where: short stacking energy: -56.324
Base-Backbone interact. energy: -0.345
local terms energy: -91.394036
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -19.489
tors. eta vs tors. theta energy: -2.765
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: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -595.796515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.796515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.796515 (E_RNA)
where:
Base-Base interactions energy: -414.237
where: short stacking energy: -193.041
Base-Backbone interact. energy: -0.258
local terms energy: -181.302326
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -28.806
flat angles C4'-P-C4' energy: -41.305
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -53.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -564.957264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.957264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.957264 (E_RNA)
where:
Base-Base interactions energy: -391.012
where: short stacking energy: -182.624
Base-Backbone interact. energy: -1.597
local terms energy: -172.348226
where:
bonds (distance) C4'-P energy: -29.237
bonds (distance) P-C4' energy: -30.403
flat angles C4'-P-C4' energy: -29.972
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -51.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -510.944069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.944069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.944069 (E_RNA)
where:
Base-Base interactions energy: -344.737
where: short stacking energy: -167.912
Base-Backbone interact. energy: -0.653
local terms energy: -165.554272
where:
bonds (distance) C4'-P energy: -35.624
bonds (distance) P-C4' energy: -25.972
flat angles C4'-P-C4' energy: -38.322
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -48.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -518.548010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.548010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.548010 (E_RNA)
where:
Base-Base interactions energy: -354.743
where: short stacking energy: -170.535
Base-Backbone interact. energy: -0.927
local terms energy: -162.878562
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -21.751
tors. eta vs tors. theta energy: -48.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -472.133253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.133253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.133253 (E_RNA)
where:
Base-Base interactions energy: -302.786
where: short stacking energy: -146.786
Base-Backbone interact. energy: -1.338
local terms energy: -168.009940
where:
bonds (distance) C4'-P energy: -34.603
bonds (distance) P-C4' energy: -34.525
flat angles C4'-P-C4' energy: -30.168
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: -45.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -412.563713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.563713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.563713 (E_RNA)
where:
Base-Base interactions energy: -262.914
where: short stacking energy: -122.594
Base-Backbone interact. energy: -0.300
local terms energy: -149.350248
where:
bonds (distance) C4'-P energy: -34.390
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -32.753
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -35.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -337.796451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.796451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.796451 (E_RNA)
where:
Base-Base interactions energy: -214.691
where: short stacking energy: -119.895
Base-Backbone interact. energy: -2.811
local terms energy: -120.294459
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -28.658
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -24.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -372.576001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.576001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.576001 (E_RNA)
where:
Base-Base interactions energy: -254.963
where: short stacking energy: -117.371
Base-Backbone interact. energy: -0.474
local terms energy: -117.138595
where:
bonds (distance) C4'-P energy: -26.898
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -176.414028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.414028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.414028 (E_RNA)
where:
Base-Base interactions energy: -85.401
where: short stacking energy: -63.007
Base-Backbone interact. energy: -0.383
local terms energy: -90.630710
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -32.487
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -3.910
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: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -149.601636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.601636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.601636 (E_RNA)
where:
Base-Base interactions energy: -58.609
where: short stacking energy: -50.900
Base-Backbone interact. energy: -0.455
local terms energy: -90.537315
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: 0.399
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: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -589.860460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.860460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.860460 (E_RNA)
where:
Base-Base interactions energy: -402.894
where: short stacking energy: -182.311
Base-Backbone interact. energy: -0.025
local terms energy: -186.940539
where:
bonds (distance) C4'-P energy: -36.142
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -38.460
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -52.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -541.083071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.083071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.083071 (E_RNA)
where:
Base-Base interactions energy: -366.225
where: short stacking energy: -176.673
Base-Backbone interact. energy: -1.359
local terms energy: -173.499280
where:
bonds (distance) C4'-P energy: -29.612
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -35.982
flat angles P-C4'-P energy: -29.077
tors. eta vs tors. theta energy: -44.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -515.338901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.338901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.338901 (E_RNA)
where:
Base-Base interactions energy: -353.383
where: short stacking energy: -170.726
Base-Backbone interact. energy: -0.747
local terms energy: -161.208259
where:
bonds (distance) C4'-P energy: -29.915
bonds (distance) P-C4' energy: -26.430
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -24.515
tors. eta vs tors. theta energy: -49.663
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: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -517.893520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.893520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.893520 (E_RNA)
where:
Base-Base interactions energy: -352.503
where: short stacking energy: -169.731
Base-Backbone interact. energy: -0.102
local terms energy: -165.287952
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -32.526
flat angles P-C4'-P energy: -21.379
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: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -484.598780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.598780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.598780 (E_RNA)
where:
Base-Base interactions energy: -329.263
where: short stacking energy: -156.154
Base-Backbone interact. energy: 1.194
local terms energy: -156.529730
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -33.328
flat angles P-C4'-P energy: -25.037
tors. eta vs tors. theta energy: -44.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -398.874025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.874025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.874025 (E_RNA)
where:
Base-Base interactions energy: -258.948
where: short stacking energy: -123.218
Base-Backbone interact. energy: 0.350
local terms energy: -140.276886
where:
bonds (distance) C4'-P energy: -31.212
bonds (distance) P-C4' energy: -28.847
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -19.165
tors. eta vs tors. theta energy: -30.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -377.920619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.920619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.920619 (E_RNA)
where:
Base-Base interactions energy: -239.329
where: short stacking energy: -135.420
Base-Backbone interact. energy: -0.670
local terms energy: -137.921842
where:
bonds (distance) C4'-P energy: -28.647
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -36.688
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: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -370.237739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.237739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.237739 (E_RNA)
where:
Base-Base interactions energy: -240.837
where: short stacking energy: -106.064
Base-Backbone interact. energy: 0.320
local terms energy: -129.720290
where:
bonds (distance) C4'-P energy: -25.374
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -25.852
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: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -193.302653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.302653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.302653 (E_RNA)
where:
Base-Base interactions energy: -105.568
where: short stacking energy: -76.161
Base-Backbone interact. energy: -0.663
local terms energy: -87.071797
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -151.460663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.460663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.460663 (E_RNA)
where:
Base-Base interactions energy: -64.248
where: short stacking energy: -63.766
Base-Backbone interact. energy: 7.448
local terms energy: -94.659939
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: 4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -583.522167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.522167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.522167 (E_RNA)
where:
Base-Base interactions energy: -407.872
where: short stacking energy: -182.605
Base-Backbone interact. energy: -0.468
local terms energy: -175.181763
where:
bonds (distance) C4'-P energy: -30.406
bonds (distance) P-C4' energy: -31.180
flat angles C4'-P-C4' energy: -39.296
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -53.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -549.947162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.947162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.947162 (E_RNA)
where:
Base-Base interactions energy: -371.741
where: short stacking energy: -176.286
Base-Backbone interact. energy: -0.949
local terms energy: -177.257863
where:
bonds (distance) C4'-P energy: -29.487
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -36.195
flat angles P-C4'-P energy: -27.731
tors. eta vs tors. theta energy: -52.739
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: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -533.160013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.160013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.160013 (E_RNA)
where:
Base-Base interactions energy: -360.484
where: short stacking energy: -173.252
Base-Backbone interact. energy: -0.617
local terms energy: -172.058294
where:
bonds (distance) C4'-P energy: -27.142
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -38.527
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -52.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -514.888847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.888847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.888847 (E_RNA)
where:
Base-Base interactions energy: -351.836
where: short stacking energy: -168.520
Base-Backbone interact. energy: -0.206
local terms energy: -162.846950
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -30.807
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -23.814
tors. eta vs tors. theta energy: -47.993
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: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -478.007209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.007209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.007209 (E_RNA)
where:
Base-Base interactions energy: -315.285
where: short stacking energy: -155.558
Base-Backbone interact. energy: -1.443
local terms energy: -161.278934
where:
bonds (distance) C4'-P energy: -32.686
bonds (distance) P-C4' energy: -35.887
flat angles C4'-P-C4' energy: -34.120
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -43.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -387.859987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.859987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.859987 (E_RNA)
where:
Base-Base interactions energy: -246.418
where: short stacking energy: -122.057
Base-Backbone interact. energy: -1.077
local terms energy: -140.364413
where:
bonds (distance) C4'-P energy: -33.667
bonds (distance) P-C4' energy: -31.936
flat angles C4'-P-C4' energy: -30.751
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -25.173
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: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -400.914771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.914771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.914771 (E_RNA)
where:
Base-Base interactions energy: -266.256
where: short stacking energy: -138.372
Base-Backbone interact. energy: -0.601
local terms energy: -134.057860
where:
bonds (distance) C4'-P energy: -27.196
bonds (distance) P-C4' energy: -32.795
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -30.914
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: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -308.034759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.034759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.034759 (E_RNA)
where:
Base-Base interactions energy: -186.069
where: short stacking energy: -99.190
Base-Backbone interact. energy: -0.208
local terms energy: -121.757762
where:
bonds (distance) C4'-P energy: -35.019
bonds (distance) P-C4' energy: -33.428
flat angles C4'-P-C4' energy: -26.310
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -190.482860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.482860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.482860 (E_RNA)
where:
Base-Base interactions energy: -81.746
where: short stacking energy: -67.010
Base-Backbone interact. energy: -0.189
local terms energy: -108.547666
where:
bonds (distance) C4'-P energy: -34.974
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -27.077
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -160.760019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.760019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.760019 (E_RNA)
where:
Base-Base interactions energy: -53.904
where: short stacking energy: -47.955
Base-Backbone interact. energy: -0.806
local terms energy: -106.050413
where:
bonds (distance) C4'-P energy: -33.538
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -27.435
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -585.812357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.812357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.812357 (E_RNA)
where:
Base-Base interactions energy: -402.287
where: short stacking energy: -185.702
Base-Backbone interact. energy: -0.913
local terms energy: -182.612023
where:
bonds (distance) C4'-P energy: -33.924
bonds (distance) P-C4' energy: -32.146
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -53.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -540.684205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.684205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.684205 (E_RNA)
where:
Base-Base interactions energy: -367.589
where: short stacking energy: -174.824
Base-Backbone interact. energy: -0.091
local terms energy: -173.004125
where:
bonds (distance) C4'-P energy: -31.124
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -36.425
flat angles P-C4'-P energy: -24.865
tors. eta vs tors. theta energy: -54.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -531.818754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.818754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.818754 (E_RNA)
where:
Base-Base interactions energy: -364.466
where: short stacking energy: -167.276
Base-Backbone interact. energy: -0.555
local terms energy: -166.797837
where:
bonds (distance) C4'-P energy: -29.646
bonds (distance) P-C4' energy: -36.116
flat angles C4'-P-C4' energy: -34.347
flat angles P-C4'-P energy: -22.432
tors. eta vs tors. theta energy: -44.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -507.022620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.022620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.022620 (E_RNA)
where:
Base-Base interactions energy: -334.886
where: short stacking energy: -159.116
Base-Backbone interact. energy: -0.509
local terms energy: -171.627517
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -34.956
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -29.385
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: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -508.890885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.890885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.890885 (E_RNA)
where:
Base-Base interactions energy: -339.819
where: short stacking energy: -156.275
Base-Backbone interact. energy: -0.547
local terms energy: -168.524799
where:
bonds (distance) C4'-P energy: -29.656
bonds (distance) P-C4' energy: -30.916
flat angles C4'-P-C4' energy: -34.778
flat angles P-C4'-P energy: -26.278
tors. eta vs tors. theta energy: -46.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -447.924973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.924973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.924973 (E_RNA)
where:
Base-Base interactions energy: -298.097
where: short stacking energy: -137.008
Base-Backbone interact. energy: -0.446
local terms energy: -149.382278
where:
bonds (distance) C4'-P energy: -28.214
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -24.052
tors. eta vs tors. theta energy: -35.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -364.822615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.822615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.822615 (E_RNA)
where:
Base-Base interactions energy: -233.027
where: short stacking energy: -104.668
Base-Backbone interact. energy: -0.996
local terms energy: -130.799262
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -23.617
tors. eta vs tors. theta energy: -27.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -291.217418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.217418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.217418 (E_RNA)
where:
Base-Base interactions energy: -167.220
where: short stacking energy: -104.058
Base-Backbone interact. energy: -0.346
local terms energy: -123.650473
where:
bonds (distance) C4'-P energy: -29.578
bonds (distance) P-C4' energy: -26.801
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -28.831
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: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -179.088155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.088155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.088155 (E_RNA)
where:
Base-Base interactions energy: -82.707
where: short stacking energy: -63.942
Base-Backbone interact. energy: -0.641
local terms energy: -95.740187
where:
bonds (distance) C4'-P energy: -31.129
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -159.890818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.890818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.890818 (E_RNA)
where:
Base-Base interactions energy: -65.829
where: short stacking energy: -49.542
Base-Backbone interact. energy: 1.448
local terms energy: -95.509413
where:
bonds (distance) C4'-P energy: -31.065
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -589.956992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.956992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.956992 (E_RNA)
where:
Base-Base interactions energy: -403.498
where: short stacking energy: -190.834
Base-Backbone interact. energy: -0.124
local terms energy: -186.334987
where:
bonds (distance) C4'-P energy: -34.843
bonds (distance) P-C4' energy: -32.733
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -28.180
tors. eta vs tors. theta energy: -54.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -541.859304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.859304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.859304 (E_RNA)
where:
Base-Base interactions energy: -364.596
where: short stacking energy: -178.046
Base-Backbone interact. energy: -1.733
local terms energy: -175.530479
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -34.366
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -53.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -517.172718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.172718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.172718 (E_RNA)
where:
Base-Base interactions energy: -350.928
where: short stacking energy: -178.676
Base-Backbone interact. energy: -0.760
local terms energy: -165.485085
where:
bonds (distance) C4'-P energy: -27.085
bonds (distance) P-C4' energy: -27.098
flat angles C4'-P-C4' energy: -36.735
flat angles P-C4'-P energy: -24.988
tors. eta vs tors. theta energy: -49.580
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: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -507.721315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.721315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.721315 (E_RNA)
where:
Base-Base interactions energy: -341.155
where: short stacking energy: -169.506
Base-Backbone interact. energy: -1.090
local terms energy: -165.475848
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -34.619
flat angles P-C4'-P energy: -26.600
tors. eta vs tors. theta energy: -47.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -455.314166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.314166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.314166 (E_RNA)
where:
Base-Base interactions energy: -307.452
where: short stacking energy: -142.340
Base-Backbone interact. energy: -0.975
local terms energy: -146.887557
where:
bonds (distance) C4'-P energy: -25.778
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -36.082
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -40.314
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: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -499.487580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.487580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.487580 (E_RNA)
where:
Base-Base interactions energy: -337.444
where: short stacking energy: -153.810
Base-Backbone interact. energy: -0.105
local terms energy: -161.938893
where:
bonds (distance) C4'-P energy: -29.588
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -45.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -365.639030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.639030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.639030 (E_RNA)
where:
Base-Base interactions energy: -240.805
where: short stacking energy: -127.350
Base-Backbone interact. energy: -0.562
local terms energy: -124.271872
where:
bonds (distance) C4'-P energy: -24.538
bonds (distance) P-C4' energy: -30.064
flat angles C4'-P-C4' energy: -29.611
flat angles P-C4'-P energy: -17.161
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -310.835287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.835287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.835287 (E_RNA)
where:
Base-Base interactions energy: -196.596
where: short stacking energy: -99.080
Base-Backbone interact. energy: -0.450
local terms energy: -113.789043
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -27.325
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -177.043142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.043142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.043142 (E_RNA)
where:
Base-Base interactions energy: -80.941
where: short stacking energy: -69.044
Base-Backbone interact. energy: -0.269
local terms energy: -95.833964
where:
bonds (distance) C4'-P energy: -28.752
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -162.347631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.347631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.347631 (E_RNA)
where:
Base-Base interactions energy: -63.935
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.597
local terms energy: -97.815447
where:
bonds (distance) C4'-P energy: -26.960
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -580.163126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.163126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.163126 (E_RNA)
where:
Base-Base interactions energy: -402.950
where: short stacking energy: -184.197
Base-Backbone interact. energy: -0.033
local terms energy: -177.179982
where:
bonds (distance) C4'-P energy: -29.700
bonds (distance) P-C4' energy: -29.368
flat angles C4'-P-C4' energy: -35.574
flat angles P-C4'-P energy: -30.751
tors. eta vs tors. theta energy: -51.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -535.997712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.997712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.997712 (E_RNA)
where:
Base-Base interactions energy: -368.162
where: short stacking energy: -182.428
Base-Backbone interact. energy: -0.519
local terms energy: -167.317054
where:
bonds (distance) C4'-P energy: -31.742
bonds (distance) P-C4' energy: -28.399
flat angles C4'-P-C4' energy: -32.548
flat angles P-C4'-P energy: -24.293
tors. eta vs tors. theta energy: -50.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -529.803927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.803927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.803927 (E_RNA)
where:
Base-Base interactions energy: -358.443
where: short stacking energy: -162.411
Base-Backbone interact. energy: -0.673
local terms energy: -170.687870
where:
bonds (distance) C4'-P energy: -27.744
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -48.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -513.861833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.861833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.861833 (E_RNA)
where:
Base-Base interactions energy: -355.885
where: short stacking energy: -168.907
Base-Backbone interact. energy: -0.643
local terms energy: -157.333508
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -34.190
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -48.687
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: 5, replica: 8
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -471.994506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.994506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.994506 (E_RNA)
where:
Base-Base interactions energy: -310.281
where: short stacking energy: -145.973
Base-Backbone interact. energy: -0.407
local terms energy: -161.305699
where:
bonds (distance) C4'-P energy: -32.138
bonds (distance) P-C4' energy: -31.560
flat angles C4'-P-C4' energy: -32.968
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -41.180
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: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -485.584957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.584957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.584957 (E_RNA)
where:
Base-Base interactions energy: -335.795
where: short stacking energy: -165.639
Base-Backbone interact. energy: 0.641
local terms energy: -150.431202
where:
bonds (distance) C4'-P energy: -28.016
bonds (distance) P-C4' energy: -22.680
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -16.531
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -357.374791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.374791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.374791 (E_RNA)
where:
Base-Base interactions energy: -238.397
where: short stacking energy: -114.919
Base-Backbone interact. energy: -0.173
local terms energy: -118.804055
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -23.131
flat angles C4'-P-C4' energy: -26.500
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -24.338
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: 227
Temperature: 1.250000
Total energy: -363.790892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.790892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.790892 (E_RNA)
where:
Base-Base interactions energy: -241.969
where: short stacking energy: -98.667
Base-Backbone interact. energy: 0.659
local terms energy: -122.481206
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -25.973
flat angles P-C4'-P energy: -22.474
tors. eta vs tors. theta energy: -28.217
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: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -180.656086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.656086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.656086 (E_RNA)
where:
Base-Base interactions energy: -76.691
where: short stacking energy: -66.640
Base-Backbone interact. energy: -1.362
local terms energy: -102.602748
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -18.299
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -163.552583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.552583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.552583 (E_RNA)
where:
Base-Base interactions energy: -70.213
where: short stacking energy: -58.303
Base-Backbone interact. energy: -0.370
local terms energy: -92.969245
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -29.482
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -574.049722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.049722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.049722 (E_RNA)
where:
Base-Base interactions energy: -396.583
where: short stacking energy: -175.410
Base-Backbone interact. energy: -2.349
local terms energy: -175.117955
where:
bonds (distance) C4'-P energy: -33.001
bonds (distance) P-C4' energy: -35.413
flat angles C4'-P-C4' energy: -37.375
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -48.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -525.793164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.793164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.793164 (E_RNA)
where:
Base-Base interactions energy: -358.516
where: short stacking energy: -175.146
Base-Backbone interact. energy: -0.371
local terms energy: -166.906168
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -33.092
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -50.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -510.019677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.019677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.019677 (E_RNA)
where:
Base-Base interactions energy: -340.990
where: short stacking energy: -153.813
Base-Backbone interact. energy: -0.623
local terms energy: -168.406579
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -34.127
flat angles C4'-P-C4' energy: -38.871
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -44.306
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: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -515.113323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.113323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.113323 (E_RNA)
where:
Base-Base interactions energy: -348.613
where: short stacking energy: -173.734
Base-Backbone interact. energy: -1.226
local terms energy: -165.273895
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -31.884
flat angles P-C4'-P energy: -22.912
tors. eta vs tors. theta energy: -48.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -485.010528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.010528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.010528 (E_RNA)
where:
Base-Base interactions energy: -322.712
where: short stacking energy: -147.244
Base-Backbone interact. energy: -0.339
local terms energy: -161.959249
where:
bonds (distance) C4'-P energy: -27.676
bonds (distance) P-C4' energy: -37.475
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -40.005
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: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -493.451848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.451848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.451848 (E_RNA)
where:
Base-Base interactions energy: -333.989
where: short stacking energy: -167.633
Base-Backbone interact. energy: -0.314
local terms energy: -159.148504
where:
bonds (distance) C4'-P energy: -29.735
bonds (distance) P-C4' energy: -31.034
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: -46.858
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: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -364.890888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.890888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.890888 (E_RNA)
where:
Base-Base interactions energy: -227.548
where: short stacking energy: -109.870
Base-Backbone interact. energy: -0.398
local terms energy: -136.944529
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -21.475
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -379.949557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.949557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.949557 (E_RNA)
where:
Base-Base interactions energy: -248.591
where: short stacking energy: -130.064
Base-Backbone interact. energy: 0.774
local terms energy: -132.132118
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -33.356
flat angles C4'-P-C4' energy: -33.826
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -25.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -174.168123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.168123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.168123 (E_RNA)
where:
Base-Base interactions energy: -75.423
where: short stacking energy: -68.230
Base-Backbone interact. energy: 0.947
local terms energy: -99.692265
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -27.958
flat angles C4'-P-C4' energy: -26.816
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -4.716
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: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -148.397183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.397183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.397183 (E_RNA)
where:
Base-Base interactions energy: -74.559
where: short stacking energy: -57.373
Base-Backbone interact. energy: -0.957
local terms energy: -72.880588
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -33.779
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -1.345
tors. eta vs tors. theta energy: 5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -586.721549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.721549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.721549 (E_RNA)
where:
Base-Base interactions energy: -413.368
where: short stacking energy: -189.827
Base-Backbone interact. energy: -0.211
local terms energy: -173.142469
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -31.001
flat angles C4'-P-C4' energy: -36.208
flat angles P-C4'-P energy: -21.698
tors. eta vs tors. theta energy: -52.614
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: 229
Temperature: 0.950000
Total energy: -521.435205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.435205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.435205 (E_RNA)
where:
Base-Base interactions energy: -362.603
where: short stacking energy: -173.841
Base-Backbone interact. energy: -1.970
local terms energy: -156.862359
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -37.780
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -41.869
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: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -520.971251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.971251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.971251 (E_RNA)
where:
Base-Base interactions energy: -350.694
where: short stacking energy: -174.090
Base-Backbone interact. energy: -0.272
local terms energy: -170.004542
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -30.740
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -50.687
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: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -516.814759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.814759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.814759 (E_RNA)
where:
Base-Base interactions energy: -353.688
where: short stacking energy: -155.087
Base-Backbone interact. energy: -0.020
local terms energy: -163.106623
where:
bonds (distance) C4'-P energy: -28.608
bonds (distance) P-C4' energy: -29.799
flat angles C4'-P-C4' energy: -33.525
flat angles P-C4'-P energy: -25.035
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: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -486.510122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.510122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.510122 (E_RNA)
where:
Base-Base interactions energy: -328.441
where: short stacking energy: -157.229
Base-Backbone interact. energy: -0.540
local terms energy: -157.528747
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -26.432
flat angles C4'-P-C4' energy: -36.051
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: -41.011
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: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -504.833666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.833666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.833666 (E_RNA)
where:
Base-Base interactions energy: -338.817
where: short stacking energy: -162.021
Base-Backbone interact. energy: -0.490
local terms energy: -165.526192
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -36.184
flat angles P-C4'-P energy: -24.238
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -359.516740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.516740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.516740 (E_RNA)
where:
Base-Base interactions energy: -223.405
where: short stacking energy: -111.332
Base-Backbone interact. energy: -0.415
local terms energy: -135.696525
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -27.988
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -29.255
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: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -411.510547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.510547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.510547 (E_RNA)
where:
Base-Base interactions energy: -257.489
where: short stacking energy: -128.815
Base-Backbone interact. energy: -1.675
local terms energy: -152.346605
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -32.012
flat angles C4'-P-C4' energy: -33.217
flat angles P-C4'-P energy: -20.425
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: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -177.375043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.375043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.375043 (E_RNA)
where:
Base-Base interactions energy: -75.742
where: short stacking energy: -70.357
Base-Backbone interact. energy: -0.202
local terms energy: -101.431038
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -28.648
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -8.329
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: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -149.519873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.519873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.519873 (E_RNA)
where:
Base-Base interactions energy: -59.563
where: short stacking energy: -51.623
Base-Backbone interact. energy: 1.159
local terms energy: -91.116523
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -28.187
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: 5.229
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: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -584.665112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.665112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.665112 (E_RNA)
where:
Base-Base interactions energy: -410.918
where: short stacking energy: -184.965
Base-Backbone interact. energy: -0.518
local terms energy: -173.228906
where:
bonds (distance) C4'-P energy: -28.770
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -37.780
flat angles P-C4'-P energy: -27.887
tors. eta vs tors. theta energy: -50.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -542.536429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.536429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.536429 (E_RNA)
where:
Base-Base interactions energy: -363.263
where: short stacking energy: -175.055
Base-Backbone interact. energy: -0.645
local terms energy: -178.628229
where:
bonds (distance) C4'-P energy: -35.716
bonds (distance) P-C4' energy: -35.534
flat angles C4'-P-C4' energy: -35.474
flat angles P-C4'-P energy: -23.127
tors. eta vs tors. theta energy: -48.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -526.152268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.152268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.152268 (E_RNA)
where:
Base-Base interactions energy: -355.236
where: short stacking energy: -166.375
Base-Backbone interact. energy: -1.053
local terms energy: -169.862885
where:
bonds (distance) C4'-P energy: -32.023
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -36.808
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: -47.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -526.638538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.638538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.638538 (E_RNA)
where:
Base-Base interactions energy: -355.627
where: short stacking energy: -161.467
Base-Backbone interact. energy: 0.786
local terms energy: -171.797146
where:
bonds (distance) C4'-P energy: -31.605
bonds (distance) P-C4' energy: -28.352
flat angles C4'-P-C4' energy: -35.383
flat angles P-C4'-P energy: -24.610
tors. eta vs tors. theta energy: -51.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -527.994446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.994446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.994446 (E_RNA)
where:
Base-Base interactions energy: -372.738
where: short stacking energy: -167.891
Base-Backbone interact. energy: -0.816
local terms energy: -154.440155
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -33.080
flat angles C4'-P-C4' energy: -34.591
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -42.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -513.076816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.076816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.076816 (E_RNA)
where:
Base-Base interactions energy: -345.605
where: short stacking energy: -171.480
Base-Backbone interact. energy: -0.316
local terms energy: -167.156297
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -36.308
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -53.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -389.162266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.162266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.162266 (E_RNA)
where:
Base-Base interactions energy: -254.738
where: short stacking energy: -153.242
Base-Backbone interact. energy: -0.016
local terms energy: -134.408830
where:
bonds (distance) C4'-P energy: -28.358
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -33.620
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -42.519
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: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -352.619994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.619994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.619994 (E_RNA)
where:
Base-Base interactions energy: -234.305
where: short stacking energy: -107.559
Base-Backbone interact. energy: -0.268
local terms energy: -118.047247
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -26.885
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -13.945
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: 9, replica: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -156.546854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.546854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.546854 (E_RNA)
where:
Base-Base interactions energy: -69.365
where: short stacking energy: -52.533
Base-Backbone interact. energy: -1.484
local terms energy: -85.697185
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -33.586
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: 3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -168.103499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.103499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.103499 (E_RNA)
where:
Base-Base interactions energy: -73.501
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.281
local terms energy: -94.321796
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -29.603
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -594.927143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.927143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.927143 (E_RNA)
where:
Base-Base interactions energy: -411.237
where: short stacking energy: -179.165
Base-Backbone interact. energy: -1.631
local terms energy: -182.059598
where:
bonds (distance) C4'-P energy: -34.113
bonds (distance) P-C4' energy: -34.896
flat angles C4'-P-C4' energy: -38.065
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -51.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -541.302799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.302799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.302799 (E_RNA)
where:
Base-Base interactions energy: -377.158
where: short stacking energy: -178.962
Base-Backbone interact. energy: -1.623
local terms energy: -162.521775
where:
bonds (distance) C4'-P energy: -32.538
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -44.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -510.228345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.228345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.228345 (E_RNA)
where:
Base-Base interactions energy: -342.894
where: short stacking energy: -166.895
Base-Backbone interact. energy: -0.686
local terms energy: -166.648994
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -24.195
tors. eta vs tors. theta energy: -43.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -564.306632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.306632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.306632 (E_RNA)
where:
Base-Base interactions energy: -384.145
where: short stacking energy: -177.360
Base-Backbone interact. energy: -0.880
local terms energy: -179.281855
where:
bonds (distance) C4'-P energy: -31.746
bonds (distance) P-C4' energy: -30.310
flat angles C4'-P-C4' energy: -37.514
flat angles P-C4'-P energy: -31.745
tors. eta vs tors. theta energy: -47.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -485.333539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.333539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.333539 (E_RNA)
where:
Base-Base interactions energy: -335.304
where: short stacking energy: -154.334
Base-Backbone interact. energy: -0.120
local terms energy: -149.909509
where:
bonds (distance) C4'-P energy: -32.374
bonds (distance) P-C4' energy: -28.337
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -45.189
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: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -498.273536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.273536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.273536 (E_RNA)
where:
Base-Base interactions energy: -346.483
where: short stacking energy: -173.379
Base-Backbone interact. energy: -0.613
local terms energy: -151.177023
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -28.539
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -44.381
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: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -373.877435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.877435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.877435 (E_RNA)
where:
Base-Base interactions energy: -245.073
where: short stacking energy: -121.352
Base-Backbone interact. energy: -0.518
local terms energy: -128.286543
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -31.378
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -23.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -366.948629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.948629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.948629 (E_RNA)
where:
Base-Base interactions energy: -251.981
where: short stacking energy: -120.876
Base-Backbone interact. energy: -0.452
local terms energy: -114.515896
where:
bonds (distance) C4'-P energy: -27.461
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -25.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -205.677259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.677259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.677259 (E_RNA)
where:
Base-Base interactions energy: -104.300
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.652
local terms energy: -100.724697
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -27.852
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -147.343739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.343739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.343739 (E_RNA)
where:
Base-Base interactions energy: -58.026
where: short stacking energy: -47.294
Base-Backbone interact. energy: -0.383
local terms energy: -88.935446
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: 4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -591.052930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.052930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.052930 (E_RNA)
where:
Base-Base interactions energy: -420.035
where: short stacking energy: -192.155
Base-Backbone interact. energy: -0.965
local terms energy: -170.052693
where:
bonds (distance) C4'-P energy: -27.429
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -36.243
flat angles P-C4'-P energy: -26.656
tors. eta vs tors. theta energy: -55.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -533.851211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.851211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.851211 (E_RNA)
where:
Base-Base interactions energy: -374.114
where: short stacking energy: -172.404
Base-Backbone interact. energy: -0.404
local terms energy: -159.333121
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -31.531
flat angles P-C4'-P energy: -24.123
tors. eta vs tors. theta energy: -45.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -576.260781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.260781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.260781 (E_RNA)
where:
Base-Base interactions energy: -395.631
where: short stacking energy: -178.433
Base-Backbone interact. energy: -1.459
local terms energy: -179.170562
where:
bonds (distance) C4'-P energy: -28.470
bonds (distance) P-C4' energy: -33.322
flat angles C4'-P-C4' energy: -37.400
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -51.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -502.496719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.496719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.496719 (E_RNA)
where:
Base-Base interactions energy: -354.212
where: short stacking energy: -169.365
Base-Backbone interact. energy: -1.273
local terms energy: -147.012493
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -28.775
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -44.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -501.704574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.704574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.704574 (E_RNA)
where:
Base-Base interactions energy: -336.770
where: short stacking energy: -158.804
Base-Backbone interact. energy: 0.512
local terms energy: -165.446631
where:
bonds (distance) C4'-P energy: -34.035
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: -43.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -469.962073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.962073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.962073 (E_RNA)
where:
Base-Base interactions energy: -327.082
where: short stacking energy: -156.207
Base-Backbone interact. energy: -0.016
local terms energy: -142.863168
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -29.838
flat angles C4'-P-C4' energy: -26.876
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -44.086
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: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -389.106091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.106091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.106091 (E_RNA)
where:
Base-Base interactions energy: -247.658
where: short stacking energy: -119.581
Base-Backbone interact. energy: -1.321
local terms energy: -140.127403
where:
bonds (distance) C4'-P energy: -27.597
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -36.063
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -28.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -348.834560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.834560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.834560 (E_RNA)
where:
Base-Base interactions energy: -234.546
where: short stacking energy: -116.565
Base-Backbone interact. energy: -0.234
local terms energy: -114.054163
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -23.362
tors. eta vs tors. theta energy: -26.915
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: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -183.273268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.273268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.273268 (E_RNA)
where:
Base-Base interactions energy: -75.322
where: short stacking energy: -44.582
Base-Backbone interact. energy: -0.109
local terms energy: -107.842209
where:
bonds (distance) C4'-P energy: -25.745
bonds (distance) P-C4' energy: -30.219
flat angles C4'-P-C4' energy: -30.245
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -162.256557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.256557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.256557 (E_RNA)
where:
Base-Base interactions energy: -62.606
where: short stacking energy: -61.605
Base-Backbone interact. energy: -0.133
local terms energy: -99.517298
where:
bonds (distance) C4'-P energy: -26.232
bonds (distance) P-C4' energy: -33.115
flat angles C4'-P-C4' energy: -25.190
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -582.071697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.071697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.071697 (E_RNA)
where:
Base-Base interactions energy: -404.790
where: short stacking energy: -193.263
Base-Backbone interact. energy: -0.399
local terms energy: -176.883548
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -33.739
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -26.013
tors. eta vs tors. theta energy: -51.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -570.444702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.444702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.444702 (E_RNA)
where:
Base-Base interactions energy: -402.314
where: short stacking energy: -180.527
Base-Backbone interact. energy: -0.035
local terms energy: -168.095659
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -35.474
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -48.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -523.431943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.431943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.431943 (E_RNA)
where:
Base-Base interactions energy: -358.482
where: short stacking energy: -157.392
Base-Backbone interact. energy: -0.255
local terms energy: -164.695504
where:
bonds (distance) C4'-P energy: -31.229
bonds (distance) P-C4' energy: -31.290
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -43.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -512.741359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.741359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.741359 (E_RNA)
where:
Base-Base interactions energy: -342.389
where: short stacking energy: -154.777
Base-Backbone interact. energy: -0.760
local terms energy: -169.592949
where:
bonds (distance) C4'-P energy: -32.840
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -22.553
tors. eta vs tors. theta energy: -51.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -482.887328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.887328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.887328 (E_RNA)
where:
Base-Base interactions energy: -337.944
where: short stacking energy: -167.955
Base-Backbone interact. energy: -0.813
local terms energy: -144.130048
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -29.614
flat angles C4'-P-C4' energy: -35.387
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -41.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -493.245321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.245321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.245321 (E_RNA)
where:
Base-Base interactions energy: -338.291
where: short stacking energy: -161.991
Base-Backbone interact. energy: 0.580
local terms energy: -155.534523
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -39.651
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: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -385.780168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.780168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.780168 (E_RNA)
where:
Base-Base interactions energy: -249.382
where: short stacking energy: -123.608
Base-Backbone interact. energy: -0.138
local terms energy: -136.260144
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -28.930
flat angles C4'-P-C4' energy: -34.048
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -30.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -362.823846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.823846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.823846 (E_RNA)
where:
Base-Base interactions energy: -239.394
where: short stacking energy: -122.789
Base-Backbone interact. energy: -1.061
local terms energy: -122.368824
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -25.676
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -28.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -181.182052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.182052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.182052 (E_RNA)
where:
Base-Base interactions energy: -73.492
where: short stacking energy: -63.955
Base-Backbone interact. energy: -3.373
local terms energy: -104.317057
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -29.380
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -171.123517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.123517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.123517 (E_RNA)
where:
Base-Base interactions energy: -88.292
where: short stacking energy: -60.568
Base-Backbone interact. energy: 0.681
local terms energy: -83.512339
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -6.665
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: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -588.841606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.841606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.841606 (E_RNA)
where:
Base-Base interactions energy: -413.889
where: short stacking energy: -189.564
Base-Backbone interact. energy: -0.315
local terms energy: -174.637351
where:
bonds (distance) C4'-P energy: -32.516
bonds (distance) P-C4' energy: -30.218
flat angles C4'-P-C4' energy: -37.482
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -52.849
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: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -575.205779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.205779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.205779 (E_RNA)
where:
Base-Base interactions energy: -411.387
where: short stacking energy: -186.425
Base-Backbone interact. energy: -0.641
local terms energy: -163.177284
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -31.101
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -46.685
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: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -511.292716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.292716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.292716 (E_RNA)
where:
Base-Base interactions energy: -340.223
where: short stacking energy: -166.308
Base-Backbone interact. energy: -2.443
local terms energy: -168.626882
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -26.445
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -47.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -511.394867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.394867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.394867 (E_RNA)
where:
Base-Base interactions energy: -338.264
where: short stacking energy: -159.050
Base-Backbone interact. energy: 0.287
local terms energy: -173.418624
where:
bonds (distance) C4'-P energy: -32.053
bonds (distance) P-C4' energy: -31.269
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -26.178
tors. eta vs tors. theta energy: -47.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -478.796276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.796276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.796276 (E_RNA)
where:
Base-Base interactions energy: -324.646
where: short stacking energy: -144.035
Base-Backbone interact. energy: -0.889
local terms energy: -153.261221
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -31.857
flat angles C4'-P-C4' energy: -27.134
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -40.587
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: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -460.163454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.163454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.163454 (E_RNA)
where:
Base-Base interactions energy: -310.405
where: short stacking energy: -144.601
Base-Backbone interact. energy: 0.854
local terms energy: -150.612405
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -31.060
flat angles C4'-P-C4' energy: -32.982
flat angles P-C4'-P energy: -22.326
tors. eta vs tors. theta energy: -38.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -357.455220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.455220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.455220 (E_RNA)
where:
Base-Base interactions energy: -227.801
where: short stacking energy: -129.698
Base-Backbone interact. energy: -0.851
local terms energy: -128.804088
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -33.258
flat angles C4'-P-C4' energy: -31.560
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -25.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -402.734057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.734057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.734057 (E_RNA)
where:
Base-Base interactions energy: -267.771
where: short stacking energy: -132.514
Base-Backbone interact. energy: -0.167
local terms energy: -134.795914
where:
bonds (distance) C4'-P energy: -26.251
bonds (distance) P-C4' energy: -32.637
flat angles C4'-P-C4' energy: -28.151
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -36.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -161.622620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.622620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.622620 (E_RNA)
where:
Base-Base interactions energy: -72.750
where: short stacking energy: -67.834
Base-Backbone interact. energy: 1.478
local terms energy: -90.350754
where:
bonds (distance) C4'-P energy: -26.879
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -164.781863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.781863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.781863 (E_RNA)
where:
Base-Base interactions energy: -69.418
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.595
local terms energy: -94.768999
where:
bonds (distance) C4'-P energy: -33.975
bonds (distance) P-C4' energy: -28.419
flat angles C4'-P-C4' energy: -26.090
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: 1.136
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: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -581.589338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.589338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.589338 (E_RNA)
where:
Base-Base interactions energy: -405.995
where: short stacking energy: -184.061
Base-Backbone interact. energy: -0.361
local terms energy: -175.232871
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -34.079
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -51.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -571.967288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.967288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.967288 (E_RNA)
where:
Base-Base interactions energy: -405.876
where: short stacking energy: -182.618
Base-Backbone interact. energy: -1.105
local terms energy: -164.986265
where:
bonds (distance) C4'-P energy: -35.099
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -26.818
tors. eta vs tors. theta energy: -47.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -509.751466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.751466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.751466 (E_RNA)
where:
Base-Base interactions energy: -343.413
where: short stacking energy: -160.581
Base-Backbone interact. energy: 0.082
local terms energy: -166.421304
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -31.229
flat angles P-C4'-P energy: -26.854
tors. eta vs tors. theta energy: -44.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -523.641826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.641826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.641826 (E_RNA)
where:
Base-Base interactions energy: -350.501
where: short stacking energy: -164.120
Base-Backbone interact. energy: 1.082
local terms energy: -174.222568
where:
bonds (distance) C4'-P energy: -34.578
bonds (distance) P-C4' energy: -26.168
flat angles C4'-P-C4' energy: -37.780
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -54.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -481.064055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.064055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.064055 (E_RNA)
where:
Base-Base interactions energy: -327.268
where: short stacking energy: -154.092
Base-Backbone interact. energy: -0.506
local terms energy: -153.290055
where:
bonds (distance) C4'-P energy: -31.749
bonds (distance) P-C4' energy: -24.283
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -43.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -504.039375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.039375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.039375 (E_RNA)
where:
Base-Base interactions energy: -345.484
where: short stacking energy: -167.763
Base-Backbone interact. energy: -0.226
local terms energy: -158.328842
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: -50.363
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: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -349.846503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.846503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.846503 (E_RNA)
where:
Base-Base interactions energy: -221.265
where: short stacking energy: -117.467
Base-Backbone interact. energy: -0.622
local terms energy: -127.959255
where:
bonds (distance) C4'-P energy: -33.160
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -30.401
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -22.657
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: 8, replica: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -346.745333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.745333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.745333 (E_RNA)
where:
Base-Base interactions energy: -212.225
where: short stacking energy: -98.812
Base-Backbone interact. energy: -0.777
local terms energy: -133.744038
where:
bonds (distance) C4'-P energy: -28.166
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -21.277
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: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -177.914270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.914270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.914270 (E_RNA)
where:
Base-Base interactions energy: -80.581
where: short stacking energy: -63.743
Base-Backbone interact. energy: -1.534
local terms energy: -95.799777
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -161.713293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.713293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.713293 (E_RNA)
where:
Base-Base interactions energy: -56.167
where: short stacking energy: -52.348
Base-Backbone interact. energy: 0.801
local terms energy: -106.347701
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -29.295
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -6.300
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: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -597.805894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.805894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.805894 (E_RNA)
where:
Base-Base interactions energy: -413.587
where: short stacking energy: -184.166
Base-Backbone interact. energy: 0.081
local terms energy: -184.299090
where:
bonds (distance) C4'-P energy: -36.237
bonds (distance) P-C4' energy: -34.017
flat angles C4'-P-C4' energy: -36.100
flat angles P-C4'-P energy: -25.496
tors. eta vs tors. theta energy: -52.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -573.500848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.500848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.500848 (E_RNA)
where:
Base-Base interactions energy: -399.118
where: short stacking energy: -179.170
Base-Backbone interact. energy: -1.477
local terms energy: -172.906298
where:
bonds (distance) C4'-P energy: -29.904
bonds (distance) P-C4' energy: -30.343
flat angles C4'-P-C4' energy: -34.161
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -53.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -521.892828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.892828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.892828 (E_RNA)
where:
Base-Base interactions energy: -343.357
where: short stacking energy: -160.234
Base-Backbone interact. energy: -0.767
local terms energy: -177.768635
where:
bonds (distance) C4'-P energy: -34.842
bonds (distance) P-C4' energy: -34.869
flat angles C4'-P-C4' energy: -37.204
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: -50.306
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: 236
Temperature: 1.050000
Total energy: -515.033460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.033460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.033460 (E_RNA)
where:
Base-Base interactions energy: -341.442
where: short stacking energy: -169.511
Base-Backbone interact. energy: 1.305
local terms energy: -174.896483
where:
bonds (distance) C4'-P energy: -29.846
bonds (distance) P-C4' energy: -35.609
flat angles C4'-P-C4' energy: -36.816
flat angles P-C4'-P energy: -26.722
tors. eta vs tors. theta energy: -45.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -491.173861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.173861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.173861 (E_RNA)
where:
Base-Base interactions energy: -330.490
where: short stacking energy: -151.479
Base-Backbone interact. energy: -2.535
local terms energy: -158.148212
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -43.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -490.701089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.701089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.701089 (E_RNA)
where:
Base-Base interactions energy: -328.862
where: short stacking energy: -157.055
Base-Backbone interact. energy: -0.144
local terms energy: -161.694929
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -26.108
flat angles C4'-P-C4' energy: -35.514
flat angles P-C4'-P energy: -22.378
tors. eta vs tors. theta energy: -47.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -360.220925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.220925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.220925 (E_RNA)
where:
Base-Base interactions energy: -229.563
where: short stacking energy: -107.624
Base-Backbone interact. energy: -0.571
local terms energy: -130.086780
where:
bonds (distance) C4'-P energy: -31.237
bonds (distance) P-C4' energy: -27.291
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -370.959091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.959091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.959091 (E_RNA)
where:
Base-Base interactions energy: -241.624
where: short stacking energy: -121.494
Base-Backbone interact. energy: -0.319
local terms energy: -129.016704
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -32.392
flat angles C4'-P-C4' energy: -29.403
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -30.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -165.049423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.049423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.049423 (E_RNA)
where:
Base-Base interactions energy: -67.529
where: short stacking energy: -65.302
Base-Backbone interact. energy: 2.606
local terms energy: -100.126634
where:
bonds (distance) C4'-P energy: -26.946
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -5.968
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: 10, replica: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -161.598149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.598149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.598149 (E_RNA)
where:
Base-Base interactions energy: -70.272
where: short stacking energy: -69.895
Base-Backbone interact. energy: -1.152
local terms energy: -90.174045
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -592.826944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.826944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.826944 (E_RNA)
where:
Base-Base interactions energy: -413.593
where: short stacking energy: -190.189
Base-Backbone interact. energy: -0.153
local terms energy: -179.081414
where:
bonds (distance) C4'-P energy: -34.611
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -24.722
tors. eta vs tors. theta energy: -53.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -589.583842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.583842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.583842 (E_RNA)
where:
Base-Base interactions energy: -411.347
where: short stacking energy: -186.867
Base-Backbone interact. energy: 0.838
local terms energy: -179.074554
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -34.127
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -52.212
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: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -537.325860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.325860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.325860 (E_RNA)
where:
Base-Base interactions energy: -371.737
where: short stacking energy: -179.495
Base-Backbone interact. energy: -1.581
local terms energy: -164.007730
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -30.541
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -51.155
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: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -492.010542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.010542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.010542 (E_RNA)
where:
Base-Base interactions energy: -336.451
where: short stacking energy: -164.836
Base-Backbone interact. energy: -1.165
local terms energy: -154.394898
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -32.854
flat angles C4'-P-C4' energy: -36.357
flat angles P-C4'-P energy: -27.408
tors. eta vs tors. theta energy: -42.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -505.940485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.940485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.940485 (E_RNA)
where:
Base-Base interactions energy: -350.737
where: short stacking energy: -166.871
Base-Backbone interact. energy: -1.344
local terms energy: -153.859547
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -35.817
flat angles P-C4'-P energy: -21.494
tors. eta vs tors. theta energy: -46.492
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: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -485.101895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.101895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.101895 (E_RNA)
where:
Base-Base interactions energy: -332.028
where: short stacking energy: -160.965
Base-Backbone interact. energy: -0.046
local terms energy: -153.027487
where:
bonds (distance) C4'-P energy: -35.393
bonds (distance) P-C4' energy: -25.537
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -42.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -366.988810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.988810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.988810 (E_RNA)
where:
Base-Base interactions energy: -227.148
where: short stacking energy: -117.122
Base-Backbone interact. energy: -0.276
local terms energy: -139.564280
where:
bonds (distance) C4'-P energy: -28.148
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -29.950
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -32.694
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: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -395.655805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.655805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.655805 (E_RNA)
where:
Base-Base interactions energy: -246.828
where: short stacking energy: -128.215
Base-Backbone interact. energy: -0.824
local terms energy: -148.003981
where:
bonds (distance) C4'-P energy: -32.272
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -26.527
tors. eta vs tors. theta energy: -35.196
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: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -173.763321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.763321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.763321 (E_RNA)
where:
Base-Base interactions energy: -88.250
where: short stacking energy: -59.456
Base-Backbone interact. energy: 0.236
local terms energy: -85.749273
where:
bonds (distance) C4'-P energy: -25.174
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -6.742
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: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -149.411731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.411731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.411731 (E_RNA)
where:
Base-Base interactions energy: -50.502
where: short stacking energy: -48.882
Base-Backbone interact. energy: -0.467
local terms energy: -98.442442
where:
bonds (distance) C4'-P energy: -25.033
bonds (distance) P-C4' energy: -30.976
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: 3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -586.288034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.288034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.288034 (E_RNA)
where:
Base-Base interactions energy: -411.995
where: short stacking energy: -183.173
Base-Backbone interact. energy: -0.412
local terms energy: -173.881056
where:
bonds (distance) C4'-P energy: -27.870
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -39.499
flat angles P-C4'-P energy: -27.534
tors. eta vs tors. theta energy: -48.954
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: 238
Temperature: 0.950000
Total energy: -587.073928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.073928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.073928 (E_RNA)
where:
Base-Base interactions energy: -411.890
where: short stacking energy: -175.386
Base-Backbone interact. energy: -0.084
local terms energy: -175.100787
where:
bonds (distance) C4'-P energy: -33.509
bonds (distance) P-C4' energy: -35.275
flat angles C4'-P-C4' energy: -33.125
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -48.489
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: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -533.432483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.432483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.432483 (E_RNA)
where:
Base-Base interactions energy: -352.105
where: short stacking energy: -179.714
Base-Backbone interact. energy: -0.349
local terms energy: -180.978300
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -38.214
flat angles C4'-P-C4' energy: -32.955
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -54.915
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: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -484.265136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.265136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.265136 (E_RNA)
where:
Base-Base interactions energy: -323.061
where: short stacking energy: -137.512
Base-Backbone interact. energy: -1.134
local terms energy: -160.070122
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -33.264
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -38.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -474.237706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.237706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.237706 (E_RNA)
where:
Base-Base interactions energy: -318.224
where: short stacking energy: -147.802
Base-Backbone interact. energy: -0.678
local terms energy: -155.335404
where:
bonds (distance) C4'-P energy: -28.865
bonds (distance) P-C4' energy: -30.396
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -24.663
tors. eta vs tors. theta energy: -40.713
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: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -484.692241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.692241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.692241 (E_RNA)
where:
Base-Base interactions energy: -340.076
where: short stacking energy: -165.305
Base-Backbone interact. energy: -0.566
local terms energy: -144.050096
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -38.174
flat angles P-C4'-P energy: -17.702
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: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -361.809134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.809134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.809134 (E_RNA)
where:
Base-Base interactions energy: -230.875
where: short stacking energy: -114.126
Base-Backbone interact. energy: -3.016
local terms energy: -127.918106
where:
bonds (distance) C4'-P energy: -31.129
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -29.059
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -31.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -293.913459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.913459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.913459 (E_RNA)
where:
Base-Base interactions energy: -177.104
where: short stacking energy: -86.325
Base-Backbone interact. energy: 2.442
local terms energy: -119.251631
where:
bonds (distance) C4'-P energy: -33.041
bonds (distance) P-C4' energy: -26.313
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -20.858
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -186.873586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.873586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.873586 (E_RNA)
where:
Base-Base interactions energy: -99.806
where: short stacking energy: -64.819
Base-Backbone interact. energy: -0.240
local terms energy: -86.827426
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -25.056
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: 0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -150.760333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.760333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.760333 (E_RNA)
where:
Base-Base interactions energy: -60.338
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.445
local terms energy: -89.977570
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -583.677630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.677630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.677630 (E_RNA)
where:
Base-Base interactions energy: -400.747
where: short stacking energy: -180.020
Base-Backbone interact. energy: 0.892
local terms energy: -183.822656
where:
bonds (distance) C4'-P energy: -35.032
bonds (distance) P-C4' energy: -30.694
flat angles C4'-P-C4' energy: -38.935
flat angles P-C4'-P energy: -27.679
tors. eta vs tors. theta energy: -51.483
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: 239
Temperature: 0.950000
Total energy: -584.898763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.898763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.898763 (E_RNA)
where:
Base-Base interactions energy: -412.367
where: short stacking energy: -181.265
Base-Backbone interact. energy: -0.582
local terms energy: -171.949767
where:
bonds (distance) C4'-P energy: -31.247
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -35.548
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: -49.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -516.195482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.195482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.195482 (E_RNA)
where:
Base-Base interactions energy: -346.922
where: short stacking energy: -168.646
Base-Backbone interact. energy: -0.025
local terms energy: -169.248843
where:
bonds (distance) C4'-P energy: -26.405
bonds (distance) P-C4' energy: -27.795
flat angles C4'-P-C4' energy: -39.643
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -52.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -502.765186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.765186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.765186 (E_RNA)
where:
Base-Base interactions energy: -343.239
where: short stacking energy: -168.564
Base-Backbone interact. energy: -0.988
local terms energy: -158.537650
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -29.999
flat angles C4'-P-C4' energy: -36.944
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: -45.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -480.877760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.877760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.877760 (E_RNA)
where:
Base-Base interactions energy: -319.945
where: short stacking energy: -154.061
Base-Backbone interact. energy: -2.623
local terms energy: -158.310079
where:
bonds (distance) C4'-P energy: -28.719
bonds (distance) P-C4' energy: -37.003
flat angles C4'-P-C4' energy: -32.199
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -40.987
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: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -487.023815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.023815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.023815 (E_RNA)
where:
Base-Base interactions energy: -333.765
where: short stacking energy: -155.432
Base-Backbone interact. energy: -0.223
local terms energy: -153.035727
where:
bonds (distance) C4'-P energy: -27.449
bonds (distance) P-C4' energy: -28.677
flat angles C4'-P-C4' energy: -34.771
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -46.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -393.211589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.211589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.211589 (E_RNA)
where:
Base-Base interactions energy: -248.488
where: short stacking energy: -130.882
Base-Backbone interact. energy: -1.268
local terms energy: -143.455512
where:
bonds (distance) C4'-P energy: -36.519
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -27.907
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -30.279
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: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -264.685061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.685061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.685061 (E_RNA)
where:
Base-Base interactions energy: -148.311
where: short stacking energy: -95.281
Base-Backbone interact. energy: -0.348
local terms energy: -116.026060
where:
bonds (distance) C4'-P energy: -33.418
bonds (distance) P-C4' energy: -31.328
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -157.897306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.897306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.897306 (E_RNA)
where:
Base-Base interactions energy: -69.553
where: short stacking energy: -63.649
Base-Backbone interact. energy: 0.658
local terms energy: -89.002266
where:
bonds (distance) C4'-P energy: -30.206
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -4.197
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: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -159.974605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.974605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.974605 (E_RNA)
where:
Base-Base interactions energy: -46.917
where: short stacking energy: -37.492
Base-Backbone interact. energy: -0.805
local terms energy: -112.253173
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -33.306
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -592.388893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.388893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.388893 (E_RNA)
where:
Base-Base interactions energy: -408.485
where: short stacking energy: -175.499
Base-Backbone interact. energy: -0.269
local terms energy: -183.634759
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -39.122
flat angles C4'-P-C4' energy: -36.564
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -52.850
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: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -584.437977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.437977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.437977 (E_RNA)
where:
Base-Base interactions energy: -410.462
where: short stacking energy: -192.862
Base-Backbone interact. energy: -0.985
local terms energy: -172.991618
where:
bonds (distance) C4'-P energy: -32.884
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -32.133
flat angles P-C4'-P energy: -29.803
tors. eta vs tors. theta energy: -50.840
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: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -525.964294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.964294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.964294 (E_RNA)
where:
Base-Base interactions energy: -356.712
where: short stacking energy: -169.869
Base-Backbone interact. energy: -0.089
local terms energy: -169.162851
where:
bonds (distance) C4'-P energy: -27.766
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -34.396
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: -47.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -512.376954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.376954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.376954 (E_RNA)
where:
Base-Base interactions energy: -345.802
where: short stacking energy: -166.086
Base-Backbone interact. energy: -0.826
local terms energy: -165.749109
where:
bonds (distance) C4'-P energy: -34.158
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -30.935
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -50.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -495.211664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.211664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.211664 (E_RNA)
where:
Base-Base interactions energy: -336.470
where: short stacking energy: -158.274
Base-Backbone interact. energy: -1.552
local terms energy: -157.189576
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -33.055
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -45.865
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: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -461.980958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.980958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.980958 (E_RNA)
where:
Base-Base interactions energy: -315.622
where: short stacking energy: -145.778
Base-Backbone interact. energy: -0.711
local terms energy: -145.647341
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -33.577
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: -36.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -420.894606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.894606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.894606 (E_RNA)
where:
Base-Base interactions energy: -278.285
where: short stacking energy: -136.191
Base-Backbone interact. energy: -0.461
local terms energy: -142.149217
where:
bonds (distance) C4'-P energy: -30.635
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -32.347
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -34.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -291.165469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.165469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.165469 (E_RNA)
where:
Base-Base interactions energy: -165.916
where: short stacking energy: -89.073
Base-Backbone interact. energy: -0.311
local terms energy: -124.938735
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -30.595
flat angles C4'-P-C4' energy: -32.082
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -185.490620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.490620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.490620 (E_RNA)
where:
Base-Base interactions energy: -84.673
where: short stacking energy: -78.247
Base-Backbone interact. energy: 0.609
local terms energy: -101.426327
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -17.905
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: 10, replica: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -164.933913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.933913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.933913 (E_RNA)
where:
Base-Base interactions energy: -73.881
where: short stacking energy: -71.565
Base-Backbone interact. energy: 2.457
local terms energy: -93.509471
where:
bonds (distance) C4'-P energy: -26.710
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -584.254004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.254004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.254004 (E_RNA)
where:
Base-Base interactions energy: -399.308
where: short stacking energy: -180.685
Base-Backbone interact. energy: -1.149
local terms energy: -183.797006
where:
bonds (distance) C4'-P energy: -35.214
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -35.138
flat angles P-C4'-P energy: -25.487
tors. eta vs tors. theta energy: -53.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -584.986623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.986623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.986623 (E_RNA)
where:
Base-Base interactions energy: -410.452
where: short stacking energy: -189.342
Base-Backbone interact. energy: -0.391
local terms energy: -174.143277
where:
bonds (distance) C4'-P energy: -34.764
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -37.518
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -52.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -513.373708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.373708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.373708 (E_RNA)
where:
Base-Base interactions energy: -346.497
where: short stacking energy: -161.089
Base-Backbone interact. energy: -0.764
local terms energy: -166.112509
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -32.534
flat angles C4'-P-C4' energy: -35.808
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -47.901
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: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -483.593396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.593396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.593396 (E_RNA)
where:
Base-Base interactions energy: -322.044
where: short stacking energy: -142.568
Base-Backbone interact. energy: -0.705
local terms energy: -160.844476
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -29.826
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -40.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -500.655968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.655968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.655968 (E_RNA)
where:
Base-Base interactions energy: -343.356
where: short stacking energy: -171.879
Base-Backbone interact. energy: -0.902
local terms energy: -156.398041
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -25.106
tors. eta vs tors. theta energy: -51.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -462.929768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.929768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.929768 (E_RNA)
where:
Base-Base interactions energy: -310.048
where: short stacking energy: -135.721
Base-Backbone interact. energy: -0.672
local terms energy: -152.209545
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -32.602
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -37.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -420.186224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.186224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.186224 (E_RNA)
where:
Base-Base interactions energy: -286.990
where: short stacking energy: -130.377
Base-Backbone interact. energy: -0.861
local terms energy: -132.335594
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -28.329
flat angles P-C4'-P energy: -21.138
tors. eta vs tors. theta energy: -34.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -297.474320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.474320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.474320 (E_RNA)
where:
Base-Base interactions energy: -169.878
where: short stacking energy: -87.756
Base-Backbone interact. energy: -0.568
local terms energy: -127.028583
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -34.067
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -202.858354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.858354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.858354 (E_RNA)
where:
Base-Base interactions energy: -101.694
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.288
local terms energy: -100.876097
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -3.163
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: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -177.392001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.392001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.392001 (E_RNA)
where:
Base-Base interactions energy: -71.194
where: short stacking energy: -58.353
Base-Backbone interact. energy: -0.356
local terms energy: -105.842105
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -30.328
flat angles C4'-P-C4' energy: -32.905
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -10.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -583.885980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.885980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.885980 (E_RNA)
where:
Base-Base interactions energy: -409.480
where: short stacking energy: -189.758
Base-Backbone interact. energy: -0.245
local terms energy: -174.161905
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -39.819
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -51.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -574.685306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.685306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.685306 (E_RNA)
where:
Base-Base interactions energy: -402.866
where: short stacking energy: -181.817
Base-Backbone interact. energy: -0.012
local terms energy: -171.807730
where:
bonds (distance) C4'-P energy: -30.319
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -24.083
tors. eta vs tors. theta energy: -52.589
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: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -512.423777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.423777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.423777 (E_RNA)
where:
Base-Base interactions energy: -345.589
where: short stacking energy: -168.410
Base-Backbone interact. energy: -0.465
local terms energy: -166.369070
where:
bonds (distance) C4'-P energy: -32.513
bonds (distance) P-C4' energy: -32.233
flat angles C4'-P-C4' energy: -38.197
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -40.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -490.419490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.419490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.419490 (E_RNA)
where:
Base-Base interactions energy: -327.179
where: short stacking energy: -146.296
Base-Backbone interact. energy: -2.114
local terms energy: -161.126616
where:
bonds (distance) C4'-P energy: -33.202
bonds (distance) P-C4' energy: -32.233
flat angles C4'-P-C4' energy: -33.014
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -43.541
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: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -512.534653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.534653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.534653 (E_RNA)
where:
Base-Base interactions energy: -348.609
where: short stacking energy: -169.392
Base-Backbone interact. energy: -0.215
local terms energy: -163.710819
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -38.787
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -53.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -473.928271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.928271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.928271 (E_RNA)
where:
Base-Base interactions energy: -327.616
where: short stacking energy: -153.952
Base-Backbone interact. energy: -1.245
local terms energy: -145.067645
where:
bonds (distance) C4'-P energy: -32.695
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -29.107
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -35.702
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: 242
Temperature: 1.200000
Total energy: -316.614510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.614510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.614510 (E_RNA)
where:
Base-Base interactions energy: -195.769
where: short stacking energy: -106.964
Base-Backbone interact. energy: -0.069
local terms energy: -120.776411
where:
bonds (distance) C4'-P energy: -29.546
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -25.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -380.196430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.196430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.196430 (E_RNA)
where:
Base-Base interactions energy: -246.455
where: short stacking energy: -129.765
Base-Backbone interact. energy: -0.848
local terms energy: -132.893742
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -31.711
flat angles C4'-P-C4' energy: -26.867
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -34.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -161.915250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.915250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.915250 (E_RNA)
where:
Base-Base interactions energy: -56.783
where: short stacking energy: -54.212
Base-Backbone interact. energy: -1.099
local terms energy: -104.032397
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -32.757
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -7.490
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: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -155.664473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.664473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.664473 (E_RNA)
where:
Base-Base interactions energy: -56.955
where: short stacking energy: -52.066
Base-Backbone interact. energy: -0.518
local terms energy: -98.191030
where:
bonds (distance) C4'-P energy: -30.079
bonds (distance) P-C4' energy: -32.871
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: 0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -588.753135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.753135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.753135 (E_RNA)
where:
Base-Base interactions energy: -410.844
where: short stacking energy: -180.499
Base-Backbone interact. energy: -0.117
local terms energy: -177.792283
where:
bonds (distance) C4'-P energy: -28.376
bonds (distance) P-C4' energy: -34.387
flat angles C4'-P-C4' energy: -33.420
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -57.445
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: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -578.277162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.277162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.277162 (E_RNA)
where:
Base-Base interactions energy: -405.890
where: short stacking energy: -191.587
Base-Backbone interact. energy: -0.075
local terms energy: -172.311486
where:
bonds (distance) C4'-P energy: -31.688
bonds (distance) P-C4' energy: -33.077
flat angles C4'-P-C4' energy: -34.502
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -52.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -489.834105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.834105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.834105 (E_RNA)
where:
Base-Base interactions energy: -334.679
where: short stacking energy: -161.081
Base-Backbone interact. energy: -1.035
local terms energy: -154.120071
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -42.035
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: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -502.460763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.460763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.460763 (E_RNA)
where:
Base-Base interactions energy: -333.639
where: short stacking energy: -155.137
Base-Backbone interact. energy: -0.973
local terms energy: -167.847865
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -32.098
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -28.165
tors. eta vs tors. theta energy: -44.529
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: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -488.818312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.818312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.818312 (E_RNA)
where:
Base-Base interactions energy: -326.884
where: short stacking energy: -153.305
Base-Backbone interact. energy: -0.692
local terms energy: -161.242495
where:
bonds (distance) C4'-P energy: -28.476
bonds (distance) P-C4' energy: -30.670
flat angles C4'-P-C4' energy: -36.047
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: -44.323
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: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -472.791258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.791258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.791258 (E_RNA)
where:
Base-Base interactions energy: -328.407
where: short stacking energy: -144.570
Base-Backbone interact. energy: 1.192
local terms energy: -145.576592
where:
bonds (distance) C4'-P energy: -31.442
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -22.378
tors. eta vs tors. theta energy: -39.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -316.205228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.205228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.205228 (E_RNA)
where:
Base-Base interactions energy: -185.619
where: short stacking energy: -113.080
Base-Backbone interact. energy: -0.467
local terms energy: -130.119359
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -30.359
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -25.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -400.895987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.895987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.895987 (E_RNA)
where:
Base-Base interactions energy: -262.663
where: short stacking energy: -128.603
Base-Backbone interact. energy: 0.682
local terms energy: -138.914765
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -31.424
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: -31.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -176.967293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.967293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.967293 (E_RNA)
where:
Base-Base interactions energy: -76.761
where: short stacking energy: -72.948
Base-Backbone interact. energy: -0.790
local terms energy: -99.417245
where:
bonds (distance) C4'-P energy: -30.637
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -6.900
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: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -152.319165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.319165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.319165 (E_RNA)
where:
Base-Base interactions energy: -61.988
where: short stacking energy: -48.997
Base-Backbone interact. energy: -0.514
local terms energy: -89.817589
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -36.206
flat angles C4'-P-C4' energy: -24.476
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: 5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -583.639291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.639291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.639291 (E_RNA)
where:
Base-Base interactions energy: -406.560
where: short stacking energy: -179.730
Base-Backbone interact. energy: -0.787
local terms energy: -176.291649
where:
bonds (distance) C4'-P energy: -33.501
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -37.845
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -52.017
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: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -581.298470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.298470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.298470 (E_RNA)
where:
Base-Base interactions energy: -400.691
where: short stacking energy: -186.899
Base-Backbone interact. energy: -0.401
local terms energy: -180.207082
where:
bonds (distance) C4'-P energy: -28.625
bonds (distance) P-C4' energy: -32.683
flat angles C4'-P-C4' energy: -38.878
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: -52.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -496.678307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.678307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.678307 (E_RNA)
where:
Base-Base interactions energy: -335.488
where: short stacking energy: -152.162
Base-Backbone interact. energy: -0.534
local terms energy: -160.656354
where:
bonds (distance) C4'-P energy: -34.271
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -42.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -499.708449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.708449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.708449 (E_RNA)
where:
Base-Base interactions energy: -329.854
where: short stacking energy: -155.604
Base-Backbone interact. energy: 0.259
local terms energy: -170.112939
where:
bonds (distance) C4'-P energy: -28.852
bonds (distance) P-C4' energy: -33.013
flat angles C4'-P-C4' energy: -38.347
flat angles P-C4'-P energy: -24.492
tors. eta vs tors. theta energy: -45.409
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: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -485.348706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.348706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.348706 (E_RNA)
where:
Base-Base interactions energy: -326.090
where: short stacking energy: -162.687
Base-Backbone interact. energy: -1.103
local terms energy: -158.156012
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -33.117
flat angles P-C4'-P energy: -30.699
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: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -471.153606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.153606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.153606 (E_RNA)
where:
Base-Base interactions energy: -311.176
where: short stacking energy: -159.604
Base-Backbone interact. energy: -0.039
local terms energy: -159.938308
where:
bonds (distance) C4'-P energy: -26.306
bonds (distance) P-C4' energy: -33.166
flat angles C4'-P-C4' energy: -38.056
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -46.184
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: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -407.365483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.365483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.365483 (E_RNA)
where:
Base-Base interactions energy: -255.148
where: short stacking energy: -131.113
Base-Backbone interact. energy: 0.724
local terms energy: -152.940776
where:
bonds (distance) C4'-P energy: -36.411
bonds (distance) P-C4' energy: -30.094
flat angles C4'-P-C4' energy: -30.679
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -36.179
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: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -309.327669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.327669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.327669 (E_RNA)
where:
Base-Base interactions energy: -192.376
where: short stacking energy: -118.846
Base-Backbone interact. energy: -1.202
local terms energy: -115.750241
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -26.027
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -175.554293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.554293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.554293 (E_RNA)
where:
Base-Base interactions energy: -61.023
where: short stacking energy: -58.483
Base-Backbone interact. energy: -1.192
local terms energy: -113.339202
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -35.377
flat angles C4'-P-C4' energy: -25.387
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -7.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -151.365243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.365243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.365243 (E_RNA)
where:
Base-Base interactions energy: -56.648
where: short stacking energy: -39.493
Base-Backbone interact. energy: 1.034
local terms energy: -95.751211
where:
bonds (distance) C4'-P energy: -27.781
bonds (distance) P-C4' energy: -32.105
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -0.657
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: 245
Temperature: 0.900000
Total energy: -592.768544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.768544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.768544 (E_RNA)
where:
Base-Base interactions energy: -403.350
where: short stacking energy: -183.512
Base-Backbone interact. energy: -0.102
local terms energy: -189.316330
where:
bonds (distance) C4'-P energy: -33.529
bonds (distance) P-C4' energy: -32.124
flat angles C4'-P-C4' energy: -36.728
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -54.592
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: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -570.264310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.264310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.264310 (E_RNA)
where:
Base-Base interactions energy: -390.470
where: short stacking energy: -175.500
Base-Backbone interact. energy: -0.383
local terms energy: -179.411915
where:
bonds (distance) C4'-P energy: -33.244
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -38.922
flat angles P-C4'-P energy: -29.938
tors. eta vs tors. theta energy: -48.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -499.044235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.044235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.044235 (E_RNA)
where:
Base-Base interactions energy: -335.039
where: short stacking energy: -147.701
Base-Backbone interact. energy: -0.634
local terms energy: -163.370468
where:
bonds (distance) C4'-P energy: -32.434
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -22.357
tors. eta vs tors. theta energy: -40.119
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: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -512.909443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.909443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.909443 (E_RNA)
where:
Base-Base interactions energy: -341.348
where: short stacking energy: -163.451
Base-Backbone interact. energy: -0.219
local terms energy: -171.342152
where:
bonds (distance) C4'-P energy: -34.279
bonds (distance) P-C4' energy: -33.728
flat angles C4'-P-C4' energy: -30.781
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -50.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -476.674970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.674970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.674970 (E_RNA)
where:
Base-Base interactions energy: -330.726
where: short stacking energy: -142.614
Base-Backbone interact. energy: -0.533
local terms energy: -145.415841
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -24.348
flat angles C4'-P-C4' energy: -32.524
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -37.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -449.099219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.099219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.099219 (E_RNA)
where:
Base-Base interactions energy: -300.556
where: short stacking energy: -145.358
Base-Backbone interact. energy: -0.612
local terms energy: -147.931572
where:
bonds (distance) C4'-P energy: -25.744
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -31.633
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -40.966
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: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -444.405686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.405686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.405686 (E_RNA)
where:
Base-Base interactions energy: -302.172
where: short stacking energy: -157.301
Base-Backbone interact. energy: -1.010
local terms energy: -141.224097
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -31.383
flat angles P-C4'-P energy: -22.172
tors. eta vs tors. theta energy: -42.179
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: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -281.013466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.013466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.013466 (E_RNA)
where:
Base-Base interactions energy: -160.457
where: short stacking energy: -95.063
Base-Backbone interact. energy: -0.828
local terms energy: -119.728841
where:
bonds (distance) C4'-P energy: -25.649
bonds (distance) P-C4' energy: -29.520
flat angles C4'-P-C4' energy: -30.267
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -164.804150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.804150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.804150 (E_RNA)
where:
Base-Base interactions energy: -75.900
where: short stacking energy: -66.113
Base-Backbone interact. energy: -0.312
local terms energy: -88.592078
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: 0.899
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: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -144.229984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.229984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.229984 (E_RNA)
where:
Base-Base interactions energy: -49.183
where: short stacking energy: -42.917
Base-Backbone interact. energy: -2.347
local terms energy: -92.699904
where:
bonds (distance) C4'-P energy: -27.046
bonds (distance) P-C4' energy: -28.471
flat angles C4'-P-C4' energy: -25.738
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: 0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -588.540287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.540287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.540287 (E_RNA)
where:
Base-Base interactions energy: -409.026
where: short stacking energy: -195.520
Base-Backbone interact. energy: -0.918
local terms energy: -178.596527
where:
bonds (distance) C4'-P energy: -32.157
bonds (distance) P-C4' energy: -34.221
flat angles C4'-P-C4' energy: -35.017
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -50.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -586.810291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.810291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.810291 (E_RNA)
where:
Base-Base interactions energy: -402.821
where: short stacking energy: -178.967
Base-Backbone interact. energy: -1.003
local terms energy: -182.986601
where:
bonds (distance) C4'-P energy: -35.975
bonds (distance) P-C4' energy: -32.172
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -27.586
tors. eta vs tors. theta energy: -53.028
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: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -531.790105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.790105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.790105 (E_RNA)
where:
Base-Base interactions energy: -367.540
where: short stacking energy: -160.726
Base-Backbone interact. energy: -0.678
local terms energy: -163.572272
where:
bonds (distance) C4'-P energy: -26.458
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -35.997
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -47.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -487.651371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.651371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.651371 (E_RNA)
where:
Base-Base interactions energy: -337.956
where: short stacking energy: -154.087
Base-Backbone interact. energy: -0.485
local terms energy: -149.210260
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: -39.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -452.274535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.274535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.274535 (E_RNA)
where:
Base-Base interactions energy: -301.067
where: short stacking energy: -137.177
Base-Backbone interact. energy: -1.448
local terms energy: -149.758623
where:
bonds (distance) C4'-P energy: -32.284
bonds (distance) P-C4' energy: -26.910
flat angles C4'-P-C4' energy: -34.512
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -36.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -409.792013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.792013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.792013 (E_RNA)
where:
Base-Base interactions energy: -272.480
where: short stacking energy: -132.325
Base-Backbone interact. energy: 1.302
local terms energy: -138.614236
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -32.126
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -32.810
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: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -427.094054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.094054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.094054 (E_RNA)
where:
Base-Base interactions energy: -282.530
where: short stacking energy: -143.114
Base-Backbone interact. energy: -0.315
local terms energy: -144.248463
where:
bonds (distance) C4'-P energy: -29.179
bonds (distance) P-C4' energy: -33.485
flat angles C4'-P-C4' energy: -29.710
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -35.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -248.838166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.838166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.838166 (E_RNA)
where:
Base-Base interactions energy: -137.129
where: short stacking energy: -80.825
Base-Backbone interact. energy: -0.119
local terms energy: -111.590269
where:
bonds (distance) C4'-P energy: -31.315
bonds (distance) P-C4' energy: -28.580
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -13.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -151.978786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.978786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.978786 (E_RNA)
where:
Base-Base interactions energy: -47.169
where: short stacking energy: -47.169
Base-Backbone interact. energy: -1.109
local terms energy: -103.700516
where:
bonds (distance) C4'-P energy: -28.168
bonds (distance) P-C4' energy: -31.097
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -154.692627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.692627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.692627 (E_RNA)
where:
Base-Base interactions energy: -53.378
where: short stacking energy: -47.764
Base-Backbone interact. energy: -1.230
local terms energy: -100.084577
where:
bonds (distance) C4'-P energy: -26.447
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -27.834
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -585.796826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.796826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.796826 (E_RNA)
where:
Base-Base interactions energy: -412.840
where: short stacking energy: -190.608
Base-Backbone interact. energy: -1.345
local terms energy: -171.612629
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -31.099
flat angles C4'-P-C4' energy: -38.950
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -53.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -536.906425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.906425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.906425 (E_RNA)
where:
Base-Base interactions energy: -376.273
where: short stacking energy: -177.099
Base-Backbone interact. energy: -0.521
local terms energy: -160.112790
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -33.092
flat angles C4'-P-C4' energy: -29.374
flat angles P-C4'-P energy: -23.115
tors. eta vs tors. theta energy: -49.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -568.744193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.744193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.744193 (E_RNA)
where:
Base-Base interactions energy: -391.187
where: short stacking energy: -168.451
Base-Backbone interact. energy: -1.663
local terms energy: -175.893756
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -35.189
flat angles C4'-P-C4' energy: -39.772
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -50.757
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: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -498.014789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.014789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.014789 (E_RNA)
where:
Base-Base interactions energy: -337.718
where: short stacking energy: -167.481
Base-Backbone interact. energy: -1.113
local terms energy: -159.183034
where:
bonds (distance) C4'-P energy: -27.552
bonds (distance) P-C4' energy: -30.814
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -44.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -460.448721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.448721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.448721 (E_RNA)
where:
Base-Base interactions energy: -318.091
where: short stacking energy: -136.024
Base-Backbone interact. energy: -0.548
local terms energy: -141.809737
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -27.266
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -35.974
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: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -408.975741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.975741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.975741 (E_RNA)
where:
Base-Base interactions energy: -268.929
where: short stacking energy: -131.252
Base-Backbone interact. energy: -0.811
local terms energy: -139.235760
where:
bonds (distance) C4'-P energy: -27.419
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -31.420
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -37.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -422.404203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.404203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.404203 (E_RNA)
where:
Base-Base interactions energy: -275.105
where: short stacking energy: -124.222
Base-Backbone interact. energy: -0.224
local terms energy: -147.074837
where:
bonds (distance) C4'-P energy: -30.962
bonds (distance) P-C4' energy: -32.937
flat angles C4'-P-C4' energy: -35.798
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -29.336
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: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -274.109617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.109617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.109617 (E_RNA)
where:
Base-Base interactions energy: -139.262
where: short stacking energy: -91.497
Base-Backbone interact. energy: 1.614
local terms energy: -136.461781
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -30.733
flat angles C4'-P-C4' energy: -34.048
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -20.850
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: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -177.451439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.451439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.451439 (E_RNA)
where:
Base-Base interactions energy: -74.676
where: short stacking energy: -54.953
Base-Backbone interact. energy: -0.390
local terms energy: -102.385302
where:
bonds (distance) C4'-P energy: -25.723
bonds (distance) P-C4' energy: -31.472
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -164.021679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.021679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.021679 (E_RNA)
where:
Base-Base interactions energy: -68.386
where: short stacking energy: -68.206
Base-Backbone interact. energy: -0.362
local terms energy: -95.273352
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -33.679
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: 2.747
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: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -546.116953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.116953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.116953 (E_RNA)
where:
Base-Base interactions energy: -363.937
where: short stacking energy: -179.132
Base-Backbone interact. energy: -0.149
local terms energy: -182.031607
where:
bonds (distance) C4'-P energy: -33.606
bonds (distance) P-C4' energy: -30.317
flat angles C4'-P-C4' energy: -40.504
flat angles P-C4'-P energy: -24.590
tors. eta vs tors. theta energy: -53.014
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: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -578.542260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.542260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.542260 (E_RNA)
where:
Base-Base interactions energy: -399.715
where: short stacking energy: -182.409
Base-Backbone interact. energy: -0.514
local terms energy: -178.313711
where:
bonds (distance) C4'-P energy: -28.955
bonds (distance) P-C4' energy: -33.101
flat angles C4'-P-C4' energy: -35.296
flat angles P-C4'-P energy: -28.547
tors. eta vs tors. theta energy: -52.414
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: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -578.176420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.176420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.176420 (E_RNA)
where:
Base-Base interactions energy: -400.650
where: short stacking energy: -180.224
Base-Backbone interact. energy: -0.949
local terms energy: -176.577295
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -35.068
flat angles P-C4'-P energy: -27.728
tors. eta vs tors. theta energy: -50.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -517.919733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.919733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.919733 (E_RNA)
where:
Base-Base interactions energy: -346.432
where: short stacking energy: -166.080
Base-Backbone interact. energy: -2.120
local terms energy: -169.367675
where:
bonds (distance) C4'-P energy: -32.437
bonds (distance) P-C4' energy: -33.717
flat angles C4'-P-C4' energy: -38.029
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -43.025
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: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -464.418547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.418547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.418547 (E_RNA)
where:
Base-Base interactions energy: -317.667
where: short stacking energy: -144.204
Base-Backbone interact. energy: -0.203
local terms energy: -146.548467
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -23.479
tors. eta vs tors. theta energy: -38.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -431.906715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.906715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.906715 (E_RNA)
where:
Base-Base interactions energy: -266.779
where: short stacking energy: -137.769
Base-Backbone interact. energy: -0.229
local terms energy: -164.898430
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -32.698
flat angles C4'-P-C4' energy: -37.634
flat angles P-C4'-P energy: -29.415
tors. eta vs tors. theta energy: -36.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -461.138587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.138587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.138587 (E_RNA)
where:
Base-Base interactions energy: -308.075
where: short stacking energy: -144.816
Base-Backbone interact. energy: -0.769
local terms energy: -152.294558
where:
bonds (distance) C4'-P energy: -26.861
bonds (distance) P-C4' energy: -29.870
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -23.191
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -251.962104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.962104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.962104 (E_RNA)
where:
Base-Base interactions energy: -145.873
where: short stacking energy: -82.793
Base-Backbone interact. energy: 0.021
local terms energy: -106.110111
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -27.996
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -9.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -169.543919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.543919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.543919 (E_RNA)
where:
Base-Base interactions energy: -65.847
where: short stacking energy: -59.612
Base-Backbone interact. energy: 0.615
local terms energy: -104.311374
where:
bonds (distance) C4'-P energy: -29.186
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -29.135
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -165.668253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.668253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.668253 (E_RNA)
where:
Base-Base interactions energy: -72.650
where: short stacking energy: -71.811
Base-Backbone interact. energy: -0.412
local terms energy: -92.606055
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -7.566
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: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -554.566496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.566496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.566496 (E_RNA)
where:
Base-Base interactions energy: -379.858
where: short stacking energy: -185.108
Base-Backbone interact. energy: -0.804
local terms energy: -173.904613
where:
bonds (distance) C4'-P energy: -31.320
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -35.670
flat angles P-C4'-P energy: -25.453
tors. eta vs tors. theta energy: -53.151
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: 249
Temperature: 0.950000
Total energy: -583.070979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.070979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.070979 (E_RNA)
where:
Base-Base interactions energy: -399.855
where: short stacking energy: -176.587
Base-Backbone interact. energy: -0.692
local terms energy: -182.523791
where:
bonds (distance) C4'-P energy: -33.666
bonds (distance) P-C4' energy: -29.039
flat angles C4'-P-C4' energy: -34.027
flat angles P-C4'-P energy: -31.415
tors. eta vs tors. theta energy: -54.377
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: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -558.291934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.291934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.291934 (E_RNA)
where:
Base-Base interactions energy: -384.401
where: short stacking energy: -172.964
Base-Backbone interact. energy: -0.683
local terms energy: -173.207781
where:
bonds (distance) C4'-P energy: -34.337
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -32.381
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: -53.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -499.404869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.404869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.404869 (E_RNA)
where:
Base-Base interactions energy: -347.975
where: short stacking energy: -163.869
Base-Backbone interact. energy: 0.868
local terms energy: -152.298554
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -29.358
flat angles C4'-P-C4' energy: -35.672
flat angles P-C4'-P energy: -22.867
tors. eta vs tors. theta energy: -41.947
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: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -502.491886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.491886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.491886 (E_RNA)
where:
Base-Base interactions energy: -338.256
where: short stacking energy: -155.479
Base-Backbone interact. energy: 0.444
local terms energy: -164.679768
where:
bonds (distance) C4'-P energy: -29.543
bonds (distance) P-C4' energy: -35.109
flat angles C4'-P-C4' energy: -35.062
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -44.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -447.239623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.239623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.239623 (E_RNA)
where:
Base-Base interactions energy: -286.550
where: short stacking energy: -136.303
Base-Backbone interact. energy: -1.286
local terms energy: -159.404086
where:
bonds (distance) C4'-P energy: -28.024
bonds (distance) P-C4' energy: -35.646
flat angles C4'-P-C4' energy: -35.160
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -39.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -453.583027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.583027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.583027 (E_RNA)
where:
Base-Base interactions energy: -292.430
where: short stacking energy: -142.209
Base-Backbone interact. energy: -0.042
local terms energy: -161.111690
where:
bonds (distance) C4'-P energy: -32.810
bonds (distance) P-C4' energy: -34.533
flat angles C4'-P-C4' energy: -30.743
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -41.408
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: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -293.762322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.762322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.762322 (E_RNA)
where:
Base-Base interactions energy: -181.828
where: short stacking energy: -103.495
Base-Backbone interact. energy: -0.075
local terms energy: -111.859020
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -29.095
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -21.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -179.858914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.858914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.858914 (E_RNA)
where:
Base-Base interactions energy: -72.652
where: short stacking energy: -48.685
Base-Backbone interact. energy: -1.447
local terms energy: -105.759705
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -25.743
flat angles P-C4'-P energy: -21.845
tors. eta vs tors. theta energy: 0.510
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: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -148.507734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.507734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.507734 (E_RNA)
where:
Base-Base interactions energy: -60.161
where: short stacking energy: -58.649
Base-Backbone interact. energy: -0.534
local terms energy: -87.812531
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -25.346
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -2.091
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: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -595.248951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.248951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.248951 (E_RNA)
where:
Base-Base interactions energy: -416.731
where: short stacking energy: -194.857
Base-Backbone interact. energy: -0.239
local terms energy: -178.278491
where:
bonds (distance) C4'-P energy: -29.785
bonds (distance) P-C4' energy: -36.360
flat angles C4'-P-C4' energy: -34.203
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -53.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -541.273853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.273853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.273853 (E_RNA)
where:
Base-Base interactions energy: -360.048
where: short stacking energy: -168.929
Base-Backbone interact. energy: -0.803
local terms energy: -180.422975
where:
bonds (distance) C4'-P energy: -36.839
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -36.421
flat angles P-C4'-P energy: -29.496
tors. eta vs tors. theta energy: -47.028
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: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -513.820278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.820278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.820278 (E_RNA)
where:
Base-Base interactions energy: -349.401
where: short stacking energy: -153.498
Base-Backbone interact. energy: -0.904
local terms energy: -163.515677
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -34.655
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -44.525
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: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -541.087459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.087459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.087459 (E_RNA)
where:
Base-Base interactions energy: -372.281
where: short stacking energy: -175.140
Base-Backbone interact. energy: -1.278
local terms energy: -167.528067
where:
bonds (distance) C4'-P energy: -25.250
bonds (distance) P-C4' energy: -36.518
flat angles C4'-P-C4' energy: -34.461
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -49.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -464.259394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.259394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.259394 (E_RNA)
where:
Base-Base interactions energy: -317.838
where: short stacking energy: -154.039
Base-Backbone interact. energy: -0.212
local terms energy: -146.209427
where:
bonds (distance) C4'-P energy: -25.043
bonds (distance) P-C4' energy: -25.465
flat angles C4'-P-C4' energy: -31.673
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -42.970
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: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -451.832858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.832858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.832858 (E_RNA)
where:
Base-Base interactions energy: -312.950
where: short stacking energy: -148.347
Base-Backbone interact. energy: -1.008
local terms energy: -137.874747
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -31.930
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -35.079
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: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -430.640309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.640309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.640309 (E_RNA)
where:
Base-Base interactions energy: -272.818
where: short stacking energy: -135.824
Base-Backbone interact. energy: -0.426
local terms energy: -157.396278
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -32.995
flat angles C4'-P-C4' energy: -32.528
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -39.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -317.611312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.611312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.611312 (E_RNA)
where:
Base-Base interactions energy: -197.729
where: short stacking energy: -117.409
Base-Backbone interact. energy: -0.823
local terms energy: -119.059159
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -24.065
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: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -162.097157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.097157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.097157 (E_RNA)
where:
Base-Base interactions energy: -49.654
where: short stacking energy: -42.429
Base-Backbone interact. energy: 0.146
local terms energy: -112.589370
where:
bonds (distance) C4'-P energy: -31.841
bonds (distance) P-C4' energy: -28.327
flat angles C4'-P-C4' energy: -31.660
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: 2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -164.572655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.572655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.572655 (E_RNA)
where:
Base-Base interactions energy: -54.515
where: short stacking energy: -54.515
Base-Backbone interact. energy: -0.208
local terms energy: -109.850033
where:
bonds (distance) C4'-P energy: -29.134
bonds (distance) P-C4' energy: -32.701
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -3.627
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: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -598.179831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.179831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.179831 (E_RNA)
where:
Base-Base interactions energy: -419.810
where: short stacking energy: -183.337
Base-Backbone interact. energy: -0.484
local terms energy: -177.885565
where:
bonds (distance) C4'-P energy: -31.176
bonds (distance) P-C4' energy: -36.502
flat angles C4'-P-C4' energy: -34.311
flat angles P-C4'-P energy: -23.284
tors. eta vs tors. theta energy: -52.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -526.041228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.041228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.041228 (E_RNA)
where:
Base-Base interactions energy: -357.570
where: short stacking energy: -168.540
Base-Backbone interact. energy: -0.772
local terms energy: -167.698821
where:
bonds (distance) C4'-P energy: -30.449
bonds (distance) P-C4' energy: -38.578
flat angles C4'-P-C4' energy: -34.383
flat angles P-C4'-P energy: -23.089
tors. eta vs tors. theta energy: -41.200
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: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -528.883340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.883340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.883340 (E_RNA)
where:
Base-Base interactions energy: -352.542
where: short stacking energy: -169.390
Base-Backbone interact. energy: -0.018
local terms energy: -176.323049
where:
bonds (distance) C4'-P energy: -32.784
bonds (distance) P-C4' energy: -31.241
flat angles C4'-P-C4' energy: -34.447
flat angles P-C4'-P energy: -26.571
tors. eta vs tors. theta energy: -51.280
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: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -554.570919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.570919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.570919 (E_RNA)
where:
Base-Base interactions energy: -382.965
where: short stacking energy: -172.938
Base-Backbone interact. energy: -0.016
local terms energy: -171.589666
where:
bonds (distance) C4'-P energy: -30.156
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -36.626
flat angles P-C4'-P energy: -23.779
tors. eta vs tors. theta energy: -47.617
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: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -467.840836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.840836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.840836 (E_RNA)
where:
Base-Base interactions energy: -301.508
where: short stacking energy: -149.886
Base-Backbone interact. energy: -0.136
local terms energy: -166.197459
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -36.327
flat angles C4'-P-C4' energy: -33.493
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -45.411
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: 251
Temperature: 1.150000
Total energy: -471.414352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.414352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.414352 (E_RNA)
where:
Base-Base interactions energy: -321.881
where: short stacking energy: -156.366
Base-Backbone interact. energy: -0.666
local terms energy: -148.867796
where:
bonds (distance) C4'-P energy: -29.108
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -32.489
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -44.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -446.224380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.224380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.224380 (E_RNA)
where:
Base-Base interactions energy: -296.971
where: short stacking energy: -144.819
Base-Backbone interact. energy: 0.022
local terms energy: -149.275993
where:
bonds (distance) C4'-P energy: -24.761
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -44.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -322.096442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.096442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.096442 (E_RNA)
where:
Base-Base interactions energy: -205.924
where: short stacking energy: -119.229
Base-Backbone interact. energy: -0.413
local terms energy: -115.759249
where:
bonds (distance) C4'-P energy: -28.040
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -28.717
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: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -195.283670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.283670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.283670 (E_RNA)
where:
Base-Base interactions energy: -90.522
where: short stacking energy: -74.085
Base-Backbone interact. energy: 2.787
local terms energy: -107.548343
where:
bonds (distance) C4'-P energy: -29.331
bonds (distance) P-C4' energy: -30.578
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -8.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -155.662751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.662751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.662751 (E_RNA)
where:
Base-Base interactions energy: -74.646
where: short stacking energy: -63.290
Base-Backbone interact. energy: -1.174
local terms energy: -79.842358
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: 1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -586.495336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.495336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.495336 (E_RNA)
where:
Base-Base interactions energy: -401.956
where: short stacking energy: -179.816
Base-Backbone interact. energy: -0.587
local terms energy: -183.952080
where:
bonds (distance) C4'-P energy: -30.785
bonds (distance) P-C4' energy: -35.667
flat angles C4'-P-C4' energy: -39.415
flat angles P-C4'-P energy: -26.823
tors. eta vs tors. theta energy: -51.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -536.468375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.468375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.468375 (E_RNA)
where:
Base-Base interactions energy: -375.823
where: short stacking energy: -172.306
Base-Backbone interact. energy: 0.676
local terms energy: -161.320807
where:
bonds (distance) C4'-P energy: -25.577
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -35.592
flat angles P-C4'-P energy: -18.439
tors. eta vs tors. theta energy: -48.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -547.425118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.425118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.425118 (E_RNA)
where:
Base-Base interactions energy: -384.859
where: short stacking energy: -164.843
Base-Backbone interact. energy: -1.338
local terms energy: -161.227763
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -22.554
tors. eta vs tors. theta energy: -48.296
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: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -523.499105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.499105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.499105 (E_RNA)
where:
Base-Base interactions energy: -359.401
where: short stacking energy: -176.855
Base-Backbone interact. energy: -0.462
local terms energy: -163.636135
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -27.506
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -30.250
tors. eta vs tors. theta energy: -43.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -482.589920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.589920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.589920 (E_RNA)
where:
Base-Base interactions energy: -329.420
where: short stacking energy: -160.987
Base-Backbone interact. energy: 0.599
local terms energy: -153.768852
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -46.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -442.525194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.525194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.525194 (E_RNA)
where:
Base-Base interactions energy: -301.667
where: short stacking energy: -140.941
Base-Backbone interact. energy: -0.643
local terms energy: -140.215425
where:
bonds (distance) C4'-P energy: -25.772
bonds (distance) P-C4' energy: -31.104
flat angles C4'-P-C4' energy: -30.264
flat angles P-C4'-P energy: -19.266
tors. eta vs tors. theta energy: -33.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -453.076816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.076816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.076816 (E_RNA)
where:
Base-Base interactions energy: -314.394
where: short stacking energy: -155.759
Base-Backbone interact. energy: -0.862
local terms energy: -137.820644
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -28.755
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -42.692
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: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -304.890105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.890105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.890105 (E_RNA)
where:
Base-Base interactions energy: -168.499
where: short stacking energy: -78.662
Base-Backbone interact. energy: -1.320
local terms energy: -135.071053
where:
bonds (distance) C4'-P energy: -30.289
bonds (distance) P-C4' energy: -33.150
flat angles C4'-P-C4' energy: -28.977
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -21.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -163.920073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.920073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.920073 (E_RNA)
where:
Base-Base interactions energy: -59.091
where: short stacking energy: -41.445
Base-Backbone interact. energy: 0.248
local terms energy: -105.077090
where:
bonds (distance) C4'-P energy: -28.405
bonds (distance) P-C4' energy: -34.223
flat angles C4'-P-C4' energy: -26.760
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: 1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -146.298929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.298929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.298929 (E_RNA)
where:
Base-Base interactions energy: -47.944
where: short stacking energy: -47.944
Base-Backbone interact. energy: 0.555
local terms energy: -98.909609
where:
bonds (distance) C4'-P energy: -29.633
bonds (distance) P-C4' energy: -24.301
flat angles C4'-P-C4' energy: -28.210
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -0.093
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: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -589.483241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.483241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.483241 (E_RNA)
where:
Base-Base interactions energy: -414.271
where: short stacking energy: -185.725
Base-Backbone interact. energy: -0.803
local terms energy: -174.408718
where:
bonds (distance) C4'-P energy: -25.113
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -38.406
flat angles P-C4'-P energy: -24.561
tors. eta vs tors. theta energy: -53.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -564.167051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.167051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.167051 (E_RNA)
where:
Base-Base interactions energy: -394.159
where: short stacking energy: -172.297
Base-Backbone interact. energy: -0.566
local terms energy: -169.442650
where:
bonds (distance) C4'-P energy: -33.809
bonds (distance) P-C4' energy: -28.281
flat angles C4'-P-C4' energy: -33.685
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -48.977
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: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -525.572907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.572907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.572907 (E_RNA)
where:
Base-Base interactions energy: -356.158
where: short stacking energy: -164.289
Base-Backbone interact. energy: -0.378
local terms energy: -169.036630
where:
bonds (distance) C4'-P energy: -32.331
bonds (distance) P-C4' energy: -30.328
flat angles C4'-P-C4' energy: -35.651
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -48.966
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: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -470.185016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.185016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.185016 (E_RNA)
where:
Base-Base interactions energy: -310.491
where: short stacking energy: -149.084
Base-Backbone interact. energy: -1.081
local terms energy: -158.613084
where:
bonds (distance) C4'-P energy: -32.575
bonds (distance) P-C4' energy: -35.545
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -35.544
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: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -516.642833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.642833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.642833 (E_RNA)
where:
Base-Base interactions energy: -346.700
where: short stacking energy: -163.049
Base-Backbone interact. energy: -1.843
local terms energy: -168.100504
where:
bonds (distance) C4'-P energy: -30.131
bonds (distance) P-C4' energy: -32.710
flat angles C4'-P-C4' energy: -31.703
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: -47.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -421.991325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.991325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.991325 (E_RNA)
where:
Base-Base interactions energy: -279.070
where: short stacking energy: -131.231
Base-Backbone interact. energy: -0.943
local terms energy: -141.978931
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -25.580
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: -33.288
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: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -405.139613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.139613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.139613 (E_RNA)
where:
Base-Base interactions energy: -259.024
where: short stacking energy: -131.716
Base-Backbone interact. energy: -0.897
local terms energy: -145.219050
where:
bonds (distance) C4'-P energy: -30.642
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -28.730
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -38.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -312.689024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.689024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.689024 (E_RNA)
where:
Base-Base interactions energy: -186.746
where: short stacking energy: -96.131
Base-Backbone interact. energy: -0.986
local terms energy: -124.956697
where:
bonds (distance) C4'-P energy: -25.689
bonds (distance) P-C4' energy: -36.182
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -164.621376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.621376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.621376 (E_RNA)
where:
Base-Base interactions energy: -68.213
where: short stacking energy: -57.670
Base-Backbone interact. energy: 0.888
local terms energy: -97.296464
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -28.534
flat angles C4'-P-C4' energy: -27.480
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -6.297
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: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -168.107117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.107117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.107117 (E_RNA)
where:
Base-Base interactions energy: -74.797
where: short stacking energy: -74.289
Base-Backbone interact. energy: -0.239
local terms energy: -93.071133
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -10.693
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: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -588.162971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.162971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.162971 (E_RNA)
where:
Base-Base interactions energy: -413.546
where: short stacking energy: -191.426
Base-Backbone interact. energy: -0.306
local terms energy: -174.310262
where:
bonds (distance) C4'-P energy: -24.745
bonds (distance) P-C4' energy: -33.474
flat angles C4'-P-C4' energy: -37.339
flat angles P-C4'-P energy: -25.707
tors. eta vs tors. theta energy: -53.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -571.813380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.813380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.813380 (E_RNA)
where:
Base-Base interactions energy: -395.584
where: short stacking energy: -183.407
Base-Backbone interact. energy: -2.527
local terms energy: -173.702947
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -32.850
flat angles C4'-P-C4' energy: -39.912
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -50.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -528.595192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.595192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.595192 (E_RNA)
where:
Base-Base interactions energy: -357.566
where: short stacking energy: -166.512
Base-Backbone interact. energy: -0.652
local terms energy: -170.376937
where:
bonds (distance) C4'-P energy: -29.699
bonds (distance) P-C4' energy: -32.339
flat angles C4'-P-C4' energy: -34.237
flat angles P-C4'-P energy: -22.793
tors. eta vs tors. theta energy: -51.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -494.913784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.913784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.913784 (E_RNA)
where:
Base-Base interactions energy: -346.033
where: short stacking energy: -159.242
Base-Backbone interact. energy: -1.739
local terms energy: -147.141770
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -34.878
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -41.994
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: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -507.239139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.239139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.239139 (E_RNA)
where:
Base-Base interactions energy: -345.402
where: short stacking energy: -153.471
Base-Backbone interact. energy: -1.402
local terms energy: -160.435373
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -32.230
flat angles C4'-P-C4' energy: -35.904
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -41.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -440.504227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.504227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.504227 (E_RNA)
where:
Base-Base interactions energy: -293.499
where: short stacking energy: -137.871
Base-Backbone interact. energy: -1.133
local terms energy: -145.871439
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -32.832
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -36.518
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: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -404.564841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.564841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.564841 (E_RNA)
where:
Base-Base interactions energy: -269.995
where: short stacking energy: -132.403
Base-Backbone interact. energy: -0.838
local terms energy: -133.732076
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -33.793
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -33.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -313.554296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.554296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.554296 (E_RNA)
where:
Base-Base interactions energy: -189.910
where: short stacking energy: -110.299
Base-Backbone interact. energy: -0.562
local terms energy: -123.082157
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -26.917
flat angles C4'-P-C4' energy: -28.712
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -26.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -183.412163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.412163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.412163 (E_RNA)
where:
Base-Base interactions energy: -71.858
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.008
local terms energy: -111.546405
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -176.121585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.121585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.121585 (E_RNA)
where:
Base-Base interactions energy: -84.259
where: short stacking energy: -56.920
Base-Backbone interact. energy: -0.832
local terms energy: -91.030704
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -31.122
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -594.868682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.868682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.868682 (E_RNA)
where:
Base-Base interactions energy: -414.476
where: short stacking energy: -182.158
Base-Backbone interact. energy: -0.604
local terms energy: -179.788860
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -30.924
flat angles C4'-P-C4' energy: -32.727
flat angles P-C4'-P energy: -27.947
tors. eta vs tors. theta energy: -53.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -572.800402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.800402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.800402 (E_RNA)
where:
Base-Base interactions energy: -394.815
where: short stacking energy: -186.103
Base-Backbone interact. energy: -0.136
local terms energy: -177.849959
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -29.144
flat angles C4'-P-C4' energy: -40.655
flat angles P-C4'-P energy: -29.891
tors. eta vs tors. theta energy: -49.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -528.357329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.357329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.357329 (E_RNA)
where:
Base-Base interactions energy: -348.706
where: short stacking energy: -172.446
Base-Backbone interact. energy: -0.014
local terms energy: -179.636474
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -36.127
flat angles C4'-P-C4' energy: -35.696
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -53.318
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: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -516.446263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.446263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.446263 (E_RNA)
where:
Base-Base interactions energy: -361.149
where: short stacking energy: -159.524
Base-Backbone interact. energy: 0.052
local terms energy: -155.348944
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -32.643
flat angles P-C4'-P energy: -22.496
tors. eta vs tors. theta energy: -45.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -500.963274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.963274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.963274 (E_RNA)
where:
Base-Base interactions energy: -334.535
where: short stacking energy: -144.010
Base-Backbone interact. energy: 0.018
local terms energy: -166.446376
where:
bonds (distance) C4'-P energy: -29.549
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -33.825
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: -43.785
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: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -435.415178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.415178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.415178 (E_RNA)
where:
Base-Base interactions energy: -290.746
where: short stacking energy: -145.879
Base-Backbone interact. energy: -1.338
local terms energy: -143.330848
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -32.101
flat angles P-C4'-P energy: -21.133
tors. eta vs tors. theta energy: -44.243
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: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -424.968985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.968985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.968985 (E_RNA)
where:
Base-Base interactions energy: -290.543
where: short stacking energy: -139.604
Base-Backbone interact. energy: -0.515
local terms energy: -133.910826
where:
bonds (distance) C4'-P energy: -24.178
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -30.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -305.481675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.481675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.481675 (E_RNA)
where:
Base-Base interactions energy: -187.530
where: short stacking energy: -105.922
Base-Backbone interact. energy: 1.292
local terms energy: -119.243356
where:
bonds (distance) C4'-P energy: -34.739
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -27.257
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -24.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -175.437359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.437359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.437359 (E_RNA)
where:
Base-Base interactions energy: -83.387
where: short stacking energy: -58.141
Base-Backbone interact. energy: 0.799
local terms energy: -92.849092
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: 2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -161.681087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.681087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.681087 (E_RNA)
where:
Base-Base interactions energy: -71.487
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.406
local terms energy: -89.788914
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -28.816
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: 0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -589.165149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.165149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.165149 (E_RNA)
where:
Base-Base interactions energy: -413.357
where: short stacking energy: -186.146
Base-Backbone interact. energy: 0.201
local terms energy: -176.008606
where:
bonds (distance) C4'-P energy: -32.246
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -26.438
tors. eta vs tors. theta energy: -49.557
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: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -564.170324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.170324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.170324 (E_RNA)
where:
Base-Base interactions energy: -378.057
where: short stacking energy: -182.571
Base-Backbone interact. energy: -0.232
local terms energy: -185.881413
where:
bonds (distance) C4'-P energy: -33.736
bonds (distance) P-C4' energy: -33.016
flat angles C4'-P-C4' energy: -40.177
flat angles P-C4'-P energy: -27.834
tors. eta vs tors. theta energy: -51.119
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: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -537.680805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.680805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.680805 (E_RNA)
where:
Base-Base interactions energy: -364.028
where: short stacking energy: -175.721
Base-Backbone interact. energy: 0.030
local terms energy: -173.682301
where:
bonds (distance) C4'-P energy: -30.366
bonds (distance) P-C4' energy: -30.990
flat angles C4'-P-C4' energy: -37.924
flat angles P-C4'-P energy: -24.077
tors. eta vs tors. theta energy: -50.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -520.521116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.521116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.521116 (E_RNA)
where:
Base-Base interactions energy: -346.928
where: short stacking energy: -152.579
Base-Backbone interact. energy: -0.341
local terms energy: -173.252747
where:
bonds (distance) C4'-P energy: -32.357
bonds (distance) P-C4' energy: -35.358
flat angles C4'-P-C4' energy: -34.966
flat angles P-C4'-P energy: -22.875
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: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -445.649872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.649872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.649872 (E_RNA)
where:
Base-Base interactions energy: -301.296
where: short stacking energy: -128.995
Base-Backbone interact. energy: -0.338
local terms energy: -144.015570
where:
bonds (distance) C4'-P energy: -31.266
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -24.423
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: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -465.627880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.627880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.627880 (E_RNA)
where:
Base-Base interactions energy: -305.934
where: short stacking energy: -143.889
Base-Backbone interact. energy: 2.267
local terms energy: -161.960551
where:
bonds (distance) C4'-P energy: -26.124
bonds (distance) P-C4' energy: -37.234
flat angles C4'-P-C4' energy: -35.807
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -40.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -414.698980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.698980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.698980 (E_RNA)
where:
Base-Base interactions energy: -278.012
where: short stacking energy: -144.600
Base-Backbone interact. energy: 1.096
local terms energy: -137.783317
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -31.939
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -37.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -310.162785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.162785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.162785 (E_RNA)
where:
Base-Base interactions energy: -185.397
where: short stacking energy: -95.508
Base-Backbone interact. energy: 0.897
local terms energy: -125.662015
where:
bonds (distance) C4'-P energy: -31.428
bonds (distance) P-C4' energy: -31.452
flat angles C4'-P-C4' energy: -28.432
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -23.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -168.531010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.531010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.531010 (E_RNA)
where:
Base-Base interactions energy: -56.850
where: short stacking energy: -50.996
Base-Backbone interact. energy: 0.204
local terms energy: -111.884761
where:
bonds (distance) C4'-P energy: -26.786
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -27.085
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -161.984356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.984356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.984356 (E_RNA)
where:
Base-Base interactions energy: -57.303
where: short stacking energy: -55.803
Base-Backbone interact. energy: 1.572
local terms energy: -106.252476
where:
bonds (distance) C4'-P energy: -27.535
bonds (distance) P-C4' energy: -29.494
flat angles C4'-P-C4' energy: -27.602
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -4.180
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: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -582.630730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.630730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.630730 (E_RNA)
where:
Base-Base interactions energy: -405.977
where: short stacking energy: -182.206
Base-Backbone interact. energy: -0.789
local terms energy: -175.864714
where:
bonds (distance) C4'-P energy: -30.331
bonds (distance) P-C4' energy: -35.064
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -50.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -578.852481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.852481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.852481 (E_RNA)
where:
Base-Base interactions energy: -401.142
where: short stacking energy: -185.961
Base-Backbone interact. energy: -0.139
local terms energy: -177.571266
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -36.425
flat angles P-C4'-P energy: -28.914
tors. eta vs tors. theta energy: -50.961
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: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -520.629495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.629495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.629495 (E_RNA)
where:
Base-Base interactions energy: -357.334
where: short stacking energy: -164.083
Base-Backbone interact. energy: -1.573
local terms energy: -161.722998
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -26.616
tors. eta vs tors. theta energy: -46.615
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: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -522.905965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.905965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.905965 (E_RNA)
where:
Base-Base interactions energy: -343.586
where: short stacking energy: -172.864
Base-Backbone interact. energy: -1.541
local terms energy: -177.778725
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -32.002
flat angles C4'-P-C4' energy: -36.863
flat angles P-C4'-P energy: -27.571
tors. eta vs tors. theta energy: -51.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -502.254318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.254318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.254318 (E_RNA)
where:
Base-Base interactions energy: -346.064
where: short stacking energy: -161.385
Base-Backbone interact. energy: -1.065
local terms energy: -155.125839
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -26.472
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -22.161
tors. eta vs tors. theta energy: -50.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -458.350098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.350098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.350098 (E_RNA)
where:
Base-Base interactions energy: -293.817
where: short stacking energy: -148.340
Base-Backbone interact. energy: -0.632
local terms energy: -163.900998
where:
bonds (distance) C4'-P energy: -30.644
bonds (distance) P-C4' energy: -33.676
flat angles C4'-P-C4' energy: -36.442
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -41.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -407.616970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.616970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.616970 (E_RNA)
where:
Base-Base interactions energy: -264.296
where: short stacking energy: -127.212
Base-Backbone interact. energy: -0.275
local terms energy: -143.046070
where:
bonds (distance) C4'-P energy: -32.764
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -38.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -298.065338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.065338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.065338 (E_RNA)
where:
Base-Base interactions energy: -191.790
where: short stacking energy: -114.106
Base-Backbone interact. energy: -0.780
local terms energy: -105.495760
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -26.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -168.729238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.729238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.729238 (E_RNA)
where:
Base-Base interactions energy: -62.269
where: short stacking energy: -52.662
Base-Backbone interact. energy: -0.344
local terms energy: -106.116810
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -163.234286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.234286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.234286 (E_RNA)
where:
Base-Base interactions energy: -67.918
where: short stacking energy: -61.779
Base-Backbone interact. energy: -0.433
local terms energy: -94.882922
where:
bonds (distance) C4'-P energy: -28.233
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -577.843222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.843222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.843222 (E_RNA)
where:
Base-Base interactions energy: -404.493
where: short stacking energy: -181.383
Base-Backbone interact. energy: -0.900
local terms energy: -172.449821
where:
bonds (distance) C4'-P energy: -34.681
bonds (distance) P-C4' energy: -35.796
flat angles C4'-P-C4' energy: -29.531
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -50.565
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: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -579.740665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.740665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.740665 (E_RNA)
where:
Base-Base interactions energy: -410.397
where: short stacking energy: -181.987
Base-Backbone interact. energy: -0.054
local terms energy: -169.289813
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -30.652
flat angles C4'-P-C4' energy: -35.634
flat angles P-C4'-P energy: -25.518
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: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -530.195446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.195446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.195446 (E_RNA)
where:
Base-Base interactions energy: -357.242
where: short stacking energy: -164.843
Base-Backbone interact. energy: -1.269
local terms energy: -171.684301
where:
bonds (distance) C4'-P energy: -26.663
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -30.664
flat angles P-C4'-P energy: -28.441
tors. eta vs tors. theta energy: -52.673
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: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -513.480509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.480509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.480509 (E_RNA)
where:
Base-Base interactions energy: -354.027
where: short stacking energy: -162.405
Base-Backbone interact. energy: -0.250
local terms energy: -159.203751
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -24.326
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -24.630
tors. eta vs tors. theta energy: -42.213
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: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -508.247608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.247608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.247608 (E_RNA)
where:
Base-Base interactions energy: -347.057
where: short stacking energy: -167.201
Base-Backbone interact. energy: -0.460
local terms energy: -160.730120
where:
bonds (distance) C4'-P energy: -29.128
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -51.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -403.051185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.051185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.051185 (E_RNA)
where:
Base-Base interactions energy: -254.870
where: short stacking energy: -127.989
Base-Backbone interact. energy: -1.301
local terms energy: -146.879944
where:
bonds (distance) C4'-P energy: -29.333
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -32.097
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -36.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -407.212779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.212779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.212779 (E_RNA)
where:
Base-Base interactions energy: -261.710
where: short stacking energy: -137.161
Base-Backbone interact. energy: -0.018
local terms energy: -145.484893
where:
bonds (distance) C4'-P energy: -26.157
bonds (distance) P-C4' energy: -26.236
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -23.736
tors. eta vs tors. theta energy: -40.665
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: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -257.114955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.114955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.114955 (E_RNA)
where:
Base-Base interactions energy: -148.050
where: short stacking energy: -77.832
Base-Backbone interact. energy: -0.701
local terms energy: -108.364004
where:
bonds (distance) C4'-P energy: -28.698
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -160.856020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.856020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.856020 (E_RNA)
where:
Base-Base interactions energy: -89.701
where: short stacking energy: -56.057
Base-Backbone interact. energy: -0.642
local terms energy: -70.512331
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -22.871
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: 1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -180.956581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.956581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.956581 (E_RNA)
where:
Base-Base interactions energy: -65.326
where: short stacking energy: -62.686
Base-Backbone interact. energy: -0.198
local terms energy: -115.432460
where:
bonds (distance) C4'-P energy: -26.020
bonds (distance) P-C4' energy: -23.992
flat angles C4'-P-C4' energy: -34.123
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -589.352073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.352073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.352073 (E_RNA)
where:
Base-Base interactions energy: -419.398
where: short stacking energy: -188.680
Base-Backbone interact. energy: -0.125
local terms energy: -169.828442
where:
bonds (distance) C4'-P energy: -31.318
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -36.791
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -52.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -564.593882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.593882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.593882 (E_RNA)
where:
Base-Base interactions energy: -392.262
where: short stacking energy: -174.094
Base-Backbone interact. energy: -0.146
local terms energy: -172.185722
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -35.522
flat angles C4'-P-C4' energy: -38.542
flat angles P-C4'-P energy: -25.158
tors. eta vs tors. theta energy: -46.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -517.722003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.722003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.722003 (E_RNA)
where:
Base-Base interactions energy: -351.327
where: short stacking energy: -172.559
Base-Backbone interact. energy: 0.049
local terms energy: -166.443972
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -28.084
flat angles C4'-P-C4' energy: -36.148
flat angles P-C4'-P energy: -25.681
tors. eta vs tors. theta energy: -50.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -531.908497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.908497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.908497 (E_RNA)
where:
Base-Base interactions energy: -371.218
where: short stacking energy: -170.364
Base-Backbone interact. energy: 0.221
local terms energy: -160.911161
where:
bonds (distance) C4'-P energy: -23.805
bonds (distance) P-C4' energy: -36.494
flat angles C4'-P-C4' energy: -34.425
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -45.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -512.488664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.488664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.488664 (E_RNA)
where:
Base-Base interactions energy: -353.722
where: short stacking energy: -158.291
Base-Backbone interact. energy: -0.811
local terms energy: -157.955702
where:
bonds (distance) C4'-P energy: -27.702
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -44.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -420.217859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.217859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.217859 (E_RNA)
where:
Base-Base interactions energy: -270.898
where: short stacking energy: -121.436
Base-Backbone interact. energy: -0.554
local terms energy: -148.766829
where:
bonds (distance) C4'-P energy: -28.214
bonds (distance) P-C4' energy: -28.063
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -29.617
tors. eta vs tors. theta energy: -32.098
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: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -366.312707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.312707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.312707 (E_RNA)
where:
Base-Base interactions energy: -233.153
where: short stacking energy: -121.171
Base-Backbone interact. energy: -0.387
local terms energy: -132.773451
where:
bonds (distance) C4'-P energy: -31.941
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -31.223
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: 259
Temperature: 1.250000
Total energy: -250.990091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.990091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.990091 (E_RNA)
where:
Base-Base interactions energy: -145.583
where: short stacking energy: -83.124
Base-Backbone interact. energy: -0.328
local terms energy: -105.079386
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -14.116
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: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -204.949436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.949436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.949436 (E_RNA)
where:
Base-Base interactions energy: -100.815
where: short stacking energy: -70.737
Base-Backbone interact. energy: -0.239
local terms energy: -103.895782
where:
bonds (distance) C4'-P energy: -29.684
bonds (distance) P-C4' energy: -31.518
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -154.411641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.411641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.411641 (E_RNA)
where:
Base-Base interactions energy: -56.051
where: short stacking energy: -50.445
Base-Backbone interact. energy: -0.963
local terms energy: -97.397150
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -3.179
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: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -592.636940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.636940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.636940 (E_RNA)
where:
Base-Base interactions energy: -406.133
where: short stacking energy: -180.846
Base-Backbone interact. energy: -0.063
local terms energy: -186.441265
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -36.114
flat angles C4'-P-C4' energy: -38.059
flat angles P-C4'-P energy: -30.636
tors. eta vs tors. theta energy: -50.731
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: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -574.275957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.275957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.275957 (E_RNA)
where:
Base-Base interactions energy: -393.413
where: short stacking energy: -183.704
Base-Backbone interact. energy: -0.185
local terms energy: -180.678550
where:
bonds (distance) C4'-P energy: -36.734
bonds (distance) P-C4' energy: -34.131
flat angles C4'-P-C4' energy: -33.353
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: -51.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -517.947760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.947760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.947760 (E_RNA)
where:
Base-Base interactions energy: -355.201
where: short stacking energy: -173.120
Base-Backbone interact. energy: -1.941
local terms energy: -160.806344
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -37.095
flat angles P-C4'-P energy: -28.378
tors. eta vs tors. theta energy: -43.703
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: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -511.102763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.102763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.102763 (E_RNA)
where:
Base-Base interactions energy: -351.552
where: short stacking energy: -163.975
Base-Backbone interact. energy: -0.047
local terms energy: -159.502812
where:
bonds (distance) C4'-P energy: -25.882
bonds (distance) P-C4' energy: -31.834
flat angles C4'-P-C4' energy: -32.140
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: -47.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -496.678691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.678691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.678691 (E_RNA)
where:
Base-Base interactions energy: -343.088
where: short stacking energy: -156.859
Base-Backbone interact. energy: -1.041
local terms energy: -152.549108
where:
bonds (distance) C4'-P energy: -26.013
bonds (distance) P-C4' energy: -28.117
flat angles C4'-P-C4' energy: -35.949
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -43.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -411.138760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.138760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.138760 (E_RNA)
where:
Base-Base interactions energy: -277.662
where: short stacking energy: -129.566
Base-Backbone interact. energy: -0.326
local terms energy: -133.150898
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -30.200
flat angles C4'-P-C4' energy: -31.781
flat angles P-C4'-P energy: -21.110
tors. eta vs tors. theta energy: -28.288
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: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -379.555267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.555267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.555267 (E_RNA)
where:
Base-Base interactions energy: -252.836
where: short stacking energy: -130.568
Base-Backbone interact. energy: 0.346
local terms energy: -127.064942
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -26.533
flat angles P-C4'-P energy: -23.892
tors. eta vs tors. theta energy: -25.714
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: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -293.227646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.227646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.227646 (E_RNA)
where:
Base-Base interactions energy: -171.565
where: short stacking energy: -79.662
Base-Backbone interact. energy: 0.408
local terms energy: -122.070346
where:
bonds (distance) C4'-P energy: -28.066
bonds (distance) P-C4' energy: -33.728
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -179.926397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.926397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.926397 (E_RNA)
where:
Base-Base interactions energy: -87.789
where: short stacking energy: -61.760
Base-Backbone interact. energy: 1.041
local terms energy: -93.178324
where:
bonds (distance) C4'-P energy: -29.551
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -146.842607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.842607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.842607 (E_RNA)
where:
Base-Base interactions energy: -63.477
where: short stacking energy: -53.790
Base-Backbone interact. energy: -0.323
local terms energy: -83.042586
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -34.256
flat angles C4'-P-C4' energy: -7.044
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: 1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -587.762045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.762045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.762045 (E_RNA)
where:
Base-Base interactions energy: -411.985
where: short stacking energy: -190.520
Base-Backbone interact. energy: -0.105
local terms energy: -175.671704
where:
bonds (distance) C4'-P energy: -26.660
bonds (distance) P-C4' energy: -31.596
flat angles C4'-P-C4' energy: -35.490
flat angles P-C4'-P energy: -29.922
tors. eta vs tors. theta energy: -52.003
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -591.871117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.871117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.871117 (E_RNA)
where:
Base-Base interactions energy: -407.664
where: short stacking energy: -190.493
Base-Backbone interact. energy: -0.177
local terms energy: -184.029614
where:
bonds (distance) C4'-P energy: -32.712
bonds (distance) P-C4' energy: -35.748
flat angles C4'-P-C4' energy: -38.061
flat angles P-C4'-P energy: -24.301
tors. eta vs tors. theta energy: -53.208
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: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -535.865031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.865031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.865031 (E_RNA)
where:
Base-Base interactions energy: -366.695
where: short stacking energy: -177.318
Base-Backbone interact. energy: -0.381
local terms energy: -168.788603
where:
bonds (distance) C4'-P energy: -31.208
bonds (distance) P-C4' energy: -27.381
flat angles C4'-P-C4' energy: -36.376
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -49.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -482.146250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.146250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.146250 (E_RNA)
where:
Base-Base interactions energy: -329.119
where: short stacking energy: -145.822
Base-Backbone interact. energy: -0.324
local terms energy: -152.703011
where:
bonds (distance) C4'-P energy: -29.448
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -25.668
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: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -527.722951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.722951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.722951 (E_RNA)
where:
Base-Base interactions energy: -348.836
where: short stacking energy: -172.438
Base-Backbone interact. energy: -1.067
local terms energy: -177.820268
where:
bonds (distance) C4'-P energy: -33.899
bonds (distance) P-C4' energy: -30.196
flat angles C4'-P-C4' energy: -36.310
flat angles P-C4'-P energy: -26.655
tors. eta vs tors. theta energy: -50.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -421.693542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.693542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.693542 (E_RNA)
where:
Base-Base interactions energy: -277.393
where: short stacking energy: -132.170
Base-Backbone interact. energy: -1.011
local terms energy: -143.289045
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -29.750
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -37.519
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: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -367.679341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.679341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.679341 (E_RNA)
where:
Base-Base interactions energy: -231.792
where: short stacking energy: -122.107
Base-Backbone interact. energy: -0.282
local terms energy: -135.605103
where:
bonds (distance) C4'-P energy: -27.677
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -32.783
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -29.143
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: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -356.412406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.412406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.412406 (E_RNA)
where:
Base-Base interactions energy: -243.994
where: short stacking energy: -106.198
Base-Backbone interact. energy: 0.021
local terms energy: -112.439706
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -28.159
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -165.556731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.556731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.556731 (E_RNA)
where:
Base-Base interactions energy: -74.245
where: short stacking energy: -56.091
Base-Backbone interact. energy: -0.801
local terms energy: -90.511136
where:
bonds (distance) C4'-P energy: -23.665
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -2.187
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: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -160.656698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.656698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.656698 (E_RNA)
where:
Base-Base interactions energy: -64.163
where: short stacking energy: -57.603
Base-Backbone interact. energy: 2.101
local terms energy: -98.594532
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: 0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -593.017035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.017035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.017035 (E_RNA)
where:
Base-Base interactions energy: -405.431
where: short stacking energy: -182.679
Base-Backbone interact. energy: -0.592
local terms energy: -186.993811
where:
bonds (distance) C4'-P energy: -33.896
bonds (distance) P-C4' energy: -33.782
flat angles C4'-P-C4' energy: -36.312
flat angles P-C4'-P energy: -31.664
tors. eta vs tors. theta energy: -51.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -578.639081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.639081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.639081 (E_RNA)
where:
Base-Base interactions energy: -405.004
where: short stacking energy: -179.795
Base-Backbone interact. energy: -1.218
local terms energy: -172.417550
where:
bonds (distance) C4'-P energy: -27.230
bonds (distance) P-C4' energy: -35.481
flat angles C4'-P-C4' energy: -35.166
flat angles P-C4'-P energy: -27.587
tors. eta vs tors. theta energy: -46.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -531.823655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.823655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.823655 (E_RNA)
where:
Base-Base interactions energy: -357.905
where: short stacking energy: -161.927
Base-Backbone interact. energy: -0.751
local terms energy: -173.167328
where:
bonds (distance) C4'-P energy: -25.541
bonds (distance) P-C4' energy: -34.398
flat angles C4'-P-C4' energy: -37.373
flat angles P-C4'-P energy: -25.570
tors. eta vs tors. theta energy: -50.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -507.481399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.481399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.481399 (E_RNA)
where:
Base-Base interactions energy: -341.384
where: short stacking energy: -147.517
Base-Backbone interact. energy: -1.028
local terms energy: -165.068791
where:
bonds (distance) C4'-P energy: -35.265
bonds (distance) P-C4' energy: -29.224
flat angles C4'-P-C4' energy: -32.195
flat angles P-C4'-P energy: -20.041
tors. eta vs tors. theta energy: -48.345
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: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -498.891440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.891440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.891440 (E_RNA)
where:
Base-Base interactions energy: -337.349
where: short stacking energy: -160.752
Base-Backbone interact. energy: -1.426
local terms energy: -160.116541
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -33.387
flat angles C4'-P-C4' energy: -33.886
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -44.936
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: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -423.509220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.509220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.509220 (E_RNA)
where:
Base-Base interactions energy: -285.126
where: short stacking energy: -127.402
Base-Backbone interact. energy: -0.049
local terms energy: -138.333865
where:
bonds (distance) C4'-P energy: -25.695
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -22.949
tors. eta vs tors. theta energy: -39.555
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: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -365.400492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.400492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.400492 (E_RNA)
where:
Base-Base interactions energy: -223.096
where: short stacking energy: -114.923
Base-Backbone interact. energy: -0.490
local terms energy: -141.814599
where:
bonds (distance) C4'-P energy: -25.975
bonds (distance) P-C4' energy: -31.214
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -24.345
tors. eta vs tors. theta energy: -29.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -342.174763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.174763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.174763 (E_RNA)
where:
Base-Base interactions energy: -217.293
where: short stacking energy: -119.287
Base-Backbone interact. energy: -0.187
local terms energy: -124.694640
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -31.974
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -171.850831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.850831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.850831 (E_RNA)
where:
Base-Base interactions energy: -67.988
where: short stacking energy: -51.474
Base-Backbone interact. energy: -0.642
local terms energy: -103.221525
where:
bonds (distance) C4'-P energy: -27.333
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -29.896
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -4.603
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: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -165.713434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.713434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.713434 (E_RNA)
where:
Base-Base interactions energy: -51.040
where: short stacking energy: -47.300
Base-Backbone interact. energy: 1.376
local terms energy: -116.049561
where:
bonds (distance) C4'-P energy: -35.471
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -20.004
tors. eta vs tors. theta energy: -1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -583.488580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.488580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.488580 (E_RNA)
where:
Base-Base interactions energy: -405.465
where: short stacking energy: -186.530
Base-Backbone interact. energy: -0.167
local terms energy: -177.856413
where:
bonds (distance) C4'-P energy: -30.884
bonds (distance) P-C4' energy: -33.398
flat angles C4'-P-C4' energy: -37.349
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: -50.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -585.357109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.357109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.357109 (E_RNA)
where:
Base-Base interactions energy: -410.660
where: short stacking energy: -183.757
Base-Backbone interact. energy: -0.007
local terms energy: -174.689683
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -38.843
flat angles P-C4'-P energy: -28.092
tors. eta vs tors. theta energy: -51.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -532.088660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.088660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.088660 (E_RNA)
where:
Base-Base interactions energy: -351.992
where: short stacking energy: -169.669
Base-Backbone interact. energy: -1.197
local terms energy: -178.899911
where:
bonds (distance) C4'-P energy: -31.771
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -39.335
flat angles P-C4'-P energy: -27.407
tors. eta vs tors. theta energy: -52.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -517.301147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.301147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.301147 (E_RNA)
where:
Base-Base interactions energy: -351.804
where: short stacking energy: -174.468
Base-Backbone interact. energy: -0.656
local terms energy: -164.840846
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -37.905
flat angles P-C4'-P energy: -21.903
tors. eta vs tors. theta energy: -51.109
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: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -501.094961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.094961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.094961 (E_RNA)
where:
Base-Base interactions energy: -342.215
where: short stacking energy: -136.473
Base-Backbone interact. energy: -2.533
local terms energy: -156.347576
where:
bonds (distance) C4'-P energy: -30.291
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -33.512
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -48.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -405.497826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.497826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.497826 (E_RNA)
where:
Base-Base interactions energy: -272.030
where: short stacking energy: -142.736
Base-Backbone interact. energy: -0.574
local terms energy: -132.893235
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -29.758
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: -35.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -338.521330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.521330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.521330 (E_RNA)
where:
Base-Base interactions energy: -210.931
where: short stacking energy: -108.226
Base-Backbone interact. energy: -3.249
local terms energy: -124.341908
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -33.212
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -25.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -395.925566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.925566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.925566 (E_RNA)
where:
Base-Base interactions energy: -267.761
where: short stacking energy: -145.557
Base-Backbone interact. energy: -1.253
local terms energy: -126.911414
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -29.595
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -40.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -177.990869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.990869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.990869 (E_RNA)
where:
Base-Base interactions energy: -74.327
where: short stacking energy: -67.593
Base-Backbone interact. energy: -0.942
local terms energy: -102.722656
where:
bonds (distance) C4'-P energy: -26.251
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -28.833
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -166.945597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.945597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.945597 (E_RNA)
where:
Base-Base interactions energy: -74.027
where: short stacking energy: -61.805
Base-Backbone interact. energy: -1.286
local terms energy: -91.633334
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -26.326
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: 1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -587.769677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.769677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.769677 (E_RNA)
where:
Base-Base interactions energy: -406.466
where: short stacking energy: -179.736
Base-Backbone interact. energy: 0.855
local terms energy: -182.158767
where:
bonds (distance) C4'-P energy: -29.431
bonds (distance) P-C4' energy: -34.244
flat angles C4'-P-C4' energy: -37.774
flat angles P-C4'-P energy: -29.912
tors. eta vs tors. theta energy: -50.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -588.663427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.663427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.663427 (E_RNA)
where:
Base-Base interactions energy: -409.393
where: short stacking energy: -178.619
Base-Backbone interact. energy: -1.213
local terms energy: -178.056940
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -32.743
flat angles C4'-P-C4' energy: -34.734
flat angles P-C4'-P energy: -26.286
tors. eta vs tors. theta energy: -54.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -526.936134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.936134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.936134 (E_RNA)
where:
Base-Base interactions energy: -361.304
where: short stacking energy: -176.588
Base-Backbone interact. energy: 0.213
local terms energy: -165.845332
where:
bonds (distance) C4'-P energy: -28.095
bonds (distance) P-C4' energy: -29.880
flat angles C4'-P-C4' energy: -35.362
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -48.439
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: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -523.562509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.562509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.562509 (E_RNA)
where:
Base-Base interactions energy: -359.476
where: short stacking energy: -165.261
Base-Backbone interact. energy: 0.099
local terms energy: -164.186406
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -27.323
flat angles C4'-P-C4' energy: -29.491
flat angles P-C4'-P energy: -22.444
tors. eta vs tors. theta energy: -53.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -500.846523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.846523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.846523 (E_RNA)
where:
Base-Base interactions energy: -347.393
where: short stacking energy: -159.707
Base-Backbone interact. energy: -0.418
local terms energy: -153.036049
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -34.568
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -44.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -456.658255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.658255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.658255 (E_RNA)
where:
Base-Base interactions energy: -324.825
where: short stacking energy: -155.399
Base-Backbone interact. energy: 1.247
local terms energy: -133.080652
where:
bonds (distance) C4'-P energy: -23.612
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -39.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -369.681401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.681401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.681401 (E_RNA)
where:
Base-Base interactions energy: -240.699
where: short stacking energy: -127.825
Base-Backbone interact. energy: 0.119
local terms energy: -129.101664
where:
bonds (distance) C4'-P energy: -30.669
bonds (distance) P-C4' energy: -27.599
flat angles C4'-P-C4' energy: -35.402
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -288.988011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.988011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.988011 (E_RNA)
where:
Base-Base interactions energy: -175.914
where: short stacking energy: -101.170
Base-Backbone interact. energy: -1.383
local terms energy: -111.691161
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -28.296
flat angles C4'-P-C4' energy: -30.660
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -177.515855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.515855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.515855 (E_RNA)
where:
Base-Base interactions energy: -76.417
where: short stacking energy: -52.660
Base-Backbone interact. energy: 0.717
local terms energy: -101.816490
where:
bonds (distance) C4'-P energy: -31.157
bonds (distance) P-C4' energy: -29.645
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -157.099863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.099863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.099863 (E_RNA)
where:
Base-Base interactions energy: -79.110
where: short stacking energy: -66.593
Base-Backbone interact. energy: -1.332
local terms energy: -76.657175
where:
bonds (distance) C4'-P energy: -22.418
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -13.298
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: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -582.130375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.130375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.130375 (E_RNA)
where:
Base-Base interactions energy: -401.701
where: short stacking energy: -180.067
Base-Backbone interact. energy: -0.748
local terms energy: -179.680980
where:
bonds (distance) C4'-P energy: -32.873
bonds (distance) P-C4' energy: -32.347
flat angles C4'-P-C4' energy: -36.120
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: -50.820
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: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -582.960775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.960775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.960775 (E_RNA)
where:
Base-Base interactions energy: -407.274
where: short stacking energy: -185.326
Base-Backbone interact. energy: -0.255
local terms energy: -175.431835
where:
bonds (distance) C4'-P energy: -29.030
bonds (distance) P-C4' energy: -30.181
flat angles C4'-P-C4' energy: -37.330
flat angles P-C4'-P energy: -26.113
tors. eta vs tors. theta energy: -52.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -536.841976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.841976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.841976 (E_RNA)
where:
Base-Base interactions energy: -365.531
where: short stacking energy: -173.013
Base-Backbone interact. energy: -1.010
local terms energy: -170.301264
where:
bonds (distance) C4'-P energy: -30.225
bonds (distance) P-C4' energy: -31.937
flat angles C4'-P-C4' energy: -34.701
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -48.887
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: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -534.486128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.486128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.486128 (E_RNA)
where:
Base-Base interactions energy: -365.724
where: short stacking energy: -164.046
Base-Backbone interact. energy: -0.081
local terms energy: -168.681236
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -32.849
flat angles C4'-P-C4' energy: -32.525
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: -50.069
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: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -487.771401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.771401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.771401 (E_RNA)
where:
Base-Base interactions energy: -333.571
where: short stacking energy: -152.454
Base-Backbone interact. energy: -1.153
local terms energy: -153.047403
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -33.088
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -42.331
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: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -486.260002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.260002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.260002 (E_RNA)
where:
Base-Base interactions energy: -334.942
where: short stacking energy: -155.547
Base-Backbone interact. energy: 0.420
local terms energy: -151.737873
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -28.239
flat angles C4'-P-C4' energy: -35.903
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -41.893
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: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -374.902896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.902896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.902896 (E_RNA)
where:
Base-Base interactions energy: -243.646
where: short stacking energy: -124.514
Base-Backbone interact. energy: -0.129
local terms energy: -131.128475
where:
bonds (distance) C4'-P energy: -28.873
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -33.333
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: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -319.177406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.177406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.177406 (E_RNA)
where:
Base-Base interactions energy: -189.978
where: short stacking energy: -104.221
Base-Backbone interact. energy: -0.480
local terms energy: -128.719771
where:
bonds (distance) C4'-P energy: -24.113
bonds (distance) P-C4' energy: -29.141
flat angles C4'-P-C4' energy: -29.203
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -29.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -173.979371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.979371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.979371 (E_RNA)
where:
Base-Base interactions energy: -87.703
where: short stacking energy: -59.643
Base-Backbone interact. energy: 1.331
local terms energy: -87.607230
where:
bonds (distance) C4'-P energy: -23.731
bonds (distance) P-C4' energy: -29.531
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: 2.075
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: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -159.519974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.519974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.519974 (E_RNA)
where:
Base-Base interactions energy: -73.438
where: short stacking energy: -56.157
Base-Backbone interact. energy: 1.583
local terms energy: -87.665041
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: 3.665
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: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -586.384064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.384064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.384064 (E_RNA)
where:
Base-Base interactions energy: -404.753
where: short stacking energy: -185.924
Base-Backbone interact. energy: -0.513
local terms energy: -181.118009
where:
bonds (distance) C4'-P energy: -37.032
bonds (distance) P-C4' energy: -37.225
flat angles C4'-P-C4' energy: -33.801
flat angles P-C4'-P energy: -23.805
tors. eta vs tors. theta energy: -49.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -586.504410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.504410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.504410 (E_RNA)
where:
Base-Base interactions energy: -415.158
where: short stacking energy: -185.467
Base-Backbone interact. energy: -0.241
local terms energy: -171.104953
where:
bonds (distance) C4'-P energy: -26.676
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -40.588
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -49.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -536.126539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.126539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.126539 (E_RNA)
where:
Base-Base interactions energy: -373.808
where: short stacking energy: -179.774
Base-Backbone interact. energy: -0.908
local terms energy: -161.410186
where:
bonds (distance) C4'-P energy: -30.022
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -31.598
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -46.913
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: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -517.195699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.195699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.195699 (E_RNA)
where:
Base-Base interactions energy: -343.679
where: short stacking energy: -165.081
Base-Backbone interact. energy: -0.843
local terms energy: -172.673494
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -28.842
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -56.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -512.308486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.308486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.308486 (E_RNA)
where:
Base-Base interactions energy: -350.082
where: short stacking energy: -157.844
Base-Backbone interact. energy: -0.491
local terms energy: -161.736013
where:
bonds (distance) C4'-P energy: -32.180
bonds (distance) P-C4' energy: -32.305
flat angles C4'-P-C4' energy: -35.420
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -45.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -476.922365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.922365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.922365 (E_RNA)
where:
Base-Base interactions energy: -324.377
where: short stacking energy: -152.101
Base-Backbone interact. energy: 0.429
local terms energy: -152.974297
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -28.128
flat angles C4'-P-C4' energy: -30.880
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -43.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -402.163062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.163062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.163062 (E_RNA)
where:
Base-Base interactions energy: -262.583
where: short stacking energy: -131.719
Base-Backbone interact. energy: 0.001
local terms energy: -139.580357
where:
bonds (distance) C4'-P energy: -23.776
bonds (distance) P-C4' energy: -28.514
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -34.045
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: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -346.491452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.491452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.491452 (E_RNA)
where:
Base-Base interactions energy: -222.847
where: short stacking energy: -110.682
Base-Backbone interact. energy: -0.523
local terms energy: -123.121334
where:
bonds (distance) C4'-P energy: -25.575
bonds (distance) P-C4' energy: -26.944
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -29.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -157.994671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.994671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.994671 (E_RNA)
where:
Base-Base interactions energy: -73.245
where: short stacking energy: -65.312
Base-Backbone interact. energy: 1.563
local terms energy: -86.312693
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -156.259660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.259660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.259660 (E_RNA)
where:
Base-Base interactions energy: -66.010
where: short stacking energy: -63.554
Base-Backbone interact. energy: -0.482
local terms energy: -89.767420
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -29.990
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -605.727372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.727372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.727372 (E_RNA)
where:
Base-Base interactions energy: -418.805
where: short stacking energy: -183.014
Base-Backbone interact. energy: -0.576
local terms energy: -186.346206
where:
bonds (distance) C4'-P energy: -32.997
bonds (distance) P-C4' energy: -35.381
flat angles C4'-P-C4' energy: -36.196
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -53.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -569.841147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.841147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.841147 (E_RNA)
where:
Base-Base interactions energy: -390.782
where: short stacking energy: -177.946
Base-Backbone interact. energy: 0.335
local terms energy: -179.393538
where:
bonds (distance) C4'-P energy: -31.999
bonds (distance) P-C4' energy: -33.231
flat angles C4'-P-C4' energy: -33.591
flat angles P-C4'-P energy: -29.452
tors. eta vs tors. theta energy: -51.120
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: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -535.475262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.475262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.475262 (E_RNA)
where:
Base-Base interactions energy: -362.900
where: short stacking energy: -169.761
Base-Backbone interact. energy: -0.465
local terms energy: -172.109699
where:
bonds (distance) C4'-P energy: -26.800
bonds (distance) P-C4' energy: -33.202
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -52.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -516.061389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.061389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.061389 (E_RNA)
where:
Base-Base interactions energy: -360.951
where: short stacking energy: -160.801
Base-Backbone interact. energy: -1.092
local terms energy: -154.018547
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -54.292
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: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -499.958383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.958383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.958383 (E_RNA)
where:
Base-Base interactions energy: -332.955
where: short stacking energy: -163.168
Base-Backbone interact. energy: -0.755
local terms energy: -166.248124
where:
bonds (distance) C4'-P energy: -28.633
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -37.314
flat angles P-C4'-P energy: -28.515
tors. eta vs tors. theta energy: -46.436
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: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -501.150235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.150235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.150235 (E_RNA)
where:
Base-Base interactions energy: -342.213
where: short stacking energy: -163.283
Base-Backbone interact. energy: -0.079
local terms energy: -158.857780
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -33.659
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -49.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -370.560712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.560712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.560712 (E_RNA)
where:
Base-Base interactions energy: -230.035
where: short stacking energy: -135.657
Base-Backbone interact. energy: -0.368
local terms energy: -140.158140
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -30.867
flat angles C4'-P-C4' energy: -34.620
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: -29.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -396.429273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.429273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.429273 (E_RNA)
where:
Base-Base interactions energy: -274.280
where: short stacking energy: -134.940
Base-Backbone interact. energy: -0.973
local terms energy: -121.176259
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -36.911
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: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -165.101355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.101355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.101355 (E_RNA)
where:
Base-Base interactions energy: -67.740
where: short stacking energy: -53.635
Base-Backbone interact. energy: -0.517
local terms energy: -96.843693
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -27.230
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -155.629891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.629891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.629891 (E_RNA)
where:
Base-Base interactions energy: -70.151
where: short stacking energy: -51.020
Base-Backbone interact. energy: -0.289
local terms energy: -85.189447
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -29.162
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: 3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -579.328820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.328820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.328820 (E_RNA)
where:
Base-Base interactions energy: -405.200
where: short stacking energy: -181.804
Base-Backbone interact. energy: -0.270
local terms energy: -173.858467
where:
bonds (distance) C4'-P energy: -28.863
bonds (distance) P-C4' energy: -33.720
flat angles C4'-P-C4' energy: -37.951
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -49.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -582.249413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.249413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.249413 (E_RNA)
where:
Base-Base interactions energy: -405.249
where: short stacking energy: -180.530
Base-Backbone interact. energy: -0.325
local terms energy: -176.676085
where:
bonds (distance) C4'-P energy: -31.745
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -37.642
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -49.458
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: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -530.429440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.429440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.429440 (E_RNA)
where:
Base-Base interactions energy: -361.098
where: short stacking energy: -170.368
Base-Backbone interact. energy: -0.679
local terms energy: -168.652549
where:
bonds (distance) C4'-P energy: -29.263
bonds (distance) P-C4' energy: -28.442
flat angles C4'-P-C4' energy: -37.358
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -50.738
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: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -514.564501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.564501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.564501 (E_RNA)
where:
Base-Base interactions energy: -355.217
where: short stacking energy: -167.455
Base-Backbone interact. energy: -1.454
local terms energy: -157.892724
where:
bonds (distance) C4'-P energy: -26.065
bonds (distance) P-C4' energy: -28.935
flat angles C4'-P-C4' energy: -32.421
flat angles P-C4'-P energy: -25.638
tors. eta vs tors. theta energy: -44.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -494.291775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.291775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.291775 (E_RNA)
where:
Base-Base interactions energy: -338.987
where: short stacking energy: -155.919
Base-Backbone interact. energy: -1.646
local terms energy: -153.658331
where:
bonds (distance) C4'-P energy: -30.112
bonds (distance) P-C4' energy: -27.600
flat angles C4'-P-C4' energy: -33.940
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -40.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -476.800310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.800310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.800310 (E_RNA)
where:
Base-Base interactions energy: -316.414
where: short stacking energy: -149.841
Base-Backbone interact. energy: -2.303
local terms energy: -158.083877
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -33.755
flat angles C4'-P-C4' energy: -35.647
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -41.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -379.993834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.993834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.993834 (E_RNA)
where:
Base-Base interactions energy: -251.585
where: short stacking energy: -116.895
Base-Backbone interact. energy: -1.464
local terms energy: -126.945436
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -28.801
flat angles C4'-P-C4' energy: -29.698
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -27.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -350.633102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.633102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.633102 (E_RNA)
where:
Base-Base interactions energy: -229.761
where: short stacking energy: -109.384
Base-Backbone interact. energy: -1.050
local terms energy: -119.821202
where:
bonds (distance) C4'-P energy: -25.357
bonds (distance) P-C4' energy: -29.652
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -28.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -162.419557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.419557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.419557 (E_RNA)
where:
Base-Base interactions energy: -67.247
where: short stacking energy: -67.459
Base-Backbone interact. energy: 1.406
local terms energy: -96.578999
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -30.340
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -178.081815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.081815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.081815 (E_RNA)
where:
Base-Base interactions energy: -78.298
where: short stacking energy: -70.066
Base-Backbone interact. energy: 0.448
local terms energy: -100.231975
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -11.215
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: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -581.846409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.846409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.846409 (E_RNA)
where:
Base-Base interactions energy: -392.996
where: short stacking energy: -170.397
Base-Backbone interact. energy: -0.053
local terms energy: -188.797569
where:
bonds (distance) C4'-P energy: -34.927
bonds (distance) P-C4' energy: -35.195
flat angles C4'-P-C4' energy: -38.999
flat angles P-C4'-P energy: -27.946
tors. eta vs tors. theta energy: -51.731
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: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -544.102250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.102250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.102250 (E_RNA)
where:
Base-Base interactions energy: -374.987
where: short stacking energy: -182.224
Base-Backbone interact. energy: 0.442
local terms energy: -169.557096
where:
bonds (distance) C4'-P energy: -31.573
bonds (distance) P-C4' energy: -26.036
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -25.480
tors. eta vs tors. theta energy: -55.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -565.914348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.914348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.914348 (E_RNA)
where:
Base-Base interactions energy: -393.106
where: short stacking energy: -176.161
Base-Backbone interact. energy: -0.665
local terms energy: -172.143557
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -29.997
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -23.685
tors. eta vs tors. theta energy: -54.226
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: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -530.318251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.318251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.318251 (E_RNA)
where:
Base-Base interactions energy: -363.056
where: short stacking energy: -177.940
Base-Backbone interact. energy: -0.306
local terms energy: -166.956360
where:
bonds (distance) C4'-P energy: -26.904
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -23.793
tors. eta vs tors. theta energy: -50.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -467.717757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.717757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.717757 (E_RNA)
where:
Base-Base interactions energy: -308.975
where: short stacking energy: -143.057
Base-Backbone interact. energy: -0.517
local terms energy: -158.226273
where:
bonds (distance) C4'-P energy: -27.664
bonds (distance) P-C4' energy: -30.264
flat angles C4'-P-C4' energy: -37.249
flat angles P-C4'-P energy: -24.923
tors. eta vs tors. theta energy: -38.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -487.236642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.236642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.236642 (E_RNA)
where:
Base-Base interactions energy: -330.729
where: short stacking energy: -155.166
Base-Backbone interact. energy: -1.240
local terms energy: -155.267968
where:
bonds (distance) C4'-P energy: -29.579
bonds (distance) P-C4' energy: -29.254
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -40.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -385.891680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.891680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.891680 (E_RNA)
where:
Base-Base interactions energy: -240.982
where: short stacking energy: -113.755
Base-Backbone interact. energy: -0.598
local terms energy: -144.311520
where:
bonds (distance) C4'-P energy: -32.382
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -29.593
flat angles P-C4'-P energy: -21.469
tors. eta vs tors. theta energy: -28.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -313.897897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.897897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.897897 (E_RNA)
where:
Base-Base interactions energy: -201.100
where: short stacking energy: -100.414
Base-Backbone interact. energy: -1.128
local terms energy: -111.669635
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -24.489
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -23.426
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: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -177.329451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.329451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.329451 (E_RNA)
where:
Base-Base interactions energy: -81.069
where: short stacking energy: -75.515
Base-Backbone interact. energy: -0.238
local terms energy: -96.022659
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -149.655097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.655097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.655097 (E_RNA)
where:
Base-Base interactions energy: -59.696
where: short stacking energy: -58.191
Base-Backbone interact. energy: -0.854
local terms energy: -89.105607
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -20.065
tors. eta vs tors. theta energy: 2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -549.345531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.345531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.345531 (E_RNA)
where:
Base-Base interactions energy: -369.532
where: short stacking energy: -177.298
Base-Backbone interact. energy: -3.129
local terms energy: -176.684274
where:
bonds (distance) C4'-P energy: -29.910
bonds (distance) P-C4' energy: -36.463
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -51.946
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: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -571.841408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.841408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.841408 (E_RNA)
where:
Base-Base interactions energy: -400.207
where: short stacking energy: -176.330
Base-Backbone interact. energy: -0.341
local terms energy: -171.293551
where:
bonds (distance) C4'-P energy: -31.064
bonds (distance) P-C4' energy: -31.066
flat angles C4'-P-C4' energy: -35.149
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -52.392
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: 270
Temperature: 1.000000
Total energy: -568.269826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.269826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.269826 (E_RNA)
where:
Base-Base interactions energy: -408.101
where: short stacking energy: -180.675
Base-Backbone interact. energy: -0.126
local terms energy: -160.042745
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -30.771
flat angles C4'-P-C4' energy: -32.560
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -43.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -512.060141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.060141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.060141 (E_RNA)
where:
Base-Base interactions energy: -350.032
where: short stacking energy: -166.941
Base-Backbone interact. energy: 0.274
local terms energy: -162.301725
where:
bonds (distance) C4'-P energy: -30.541
bonds (distance) P-C4' energy: -27.741
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -50.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -493.702290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.702290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.702290 (E_RNA)
where:
Base-Base interactions energy: -329.862
where: short stacking energy: -151.838
Base-Backbone interact. energy: -1.155
local terms energy: -162.684357
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -26.883
flat angles C4'-P-C4' energy: -34.790
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -47.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -459.265055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.265055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.265055 (E_RNA)
where:
Base-Base interactions energy: -316.106
where: short stacking energy: -138.407
Base-Backbone interact. energy: -0.985
local terms energy: -142.174139
where:
bonds (distance) C4'-P energy: -27.739
bonds (distance) P-C4' energy: -30.420
flat angles C4'-P-C4' energy: -25.296
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -34.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -415.263571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.263571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.263571 (E_RNA)
where:
Base-Base interactions energy: -266.703
where: short stacking energy: -135.645
Base-Backbone interact. energy: -0.083
local terms energy: -148.477719
where:
bonds (distance) C4'-P energy: -30.625
bonds (distance) P-C4' energy: -32.741
flat angles C4'-P-C4' energy: -27.276
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: -36.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -305.182436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.182436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.182436 (E_RNA)
where:
Base-Base interactions energy: -190.078
where: short stacking energy: -85.608
Base-Backbone interact. energy: -2.310
local terms energy: -112.794801
where:
bonds (distance) C4'-P energy: -30.374
bonds (distance) P-C4' energy: -29.460
flat angles C4'-P-C4' energy: -30.097
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -11.026
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: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -190.816889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.816889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.816889 (E_RNA)
where:
Base-Base interactions energy: -83.843
where: short stacking energy: -65.208
Base-Backbone interact. energy: -1.391
local terms energy: -105.583181
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -30.773
flat angles C4'-P-C4' energy: -27.890
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -8.417
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: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -264.101234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.101234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.101234 (E_RNA)
where:
Base-Base interactions energy: -150.463
where: short stacking energy: -86.917
Base-Backbone interact. energy: 0.362
local terms energy: -114.001135
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -33.582
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -19.069
tors. eta vs tors. theta energy: -10.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -545.351330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.351330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.351330 (E_RNA)
where:
Base-Base interactions energy: -367.128
where: short stacking energy: -177.493
Base-Backbone interact. energy: -1.276
local terms energy: -176.947170
where:
bonds (distance) C4'-P energy: -35.813
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -34.220
flat angles P-C4'-P energy: -24.185
tors. eta vs tors. theta energy: -51.307
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: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -579.822388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.822388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.822388 (E_RNA)
where:
Base-Base interactions energy: -400.086
where: short stacking energy: -177.510
Base-Backbone interact. energy: -0.810
local terms energy: -178.927043
where:
bonds (distance) C4'-P energy: -32.752
bonds (distance) P-C4' energy: -35.713
flat angles C4'-P-C4' energy: -30.424
flat angles P-C4'-P energy: -27.564
tors. eta vs tors. theta energy: -52.474
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: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -567.174565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.174565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.174565 (E_RNA)
where:
Base-Base interactions energy: -392.079
where: short stacking energy: -181.092
Base-Backbone interact. energy: -0.728
local terms energy: -174.367614
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -31.963
flat angles C4'-P-C4' energy: -37.243
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: -50.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -498.376589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.376589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.376589 (E_RNA)
where:
Base-Base interactions energy: -336.019
where: short stacking energy: -164.468
Base-Backbone interact. energy: -0.655
local terms energy: -161.702294
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -31.734
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -51.480
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: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -492.413390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.413390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.413390 (E_RNA)
where:
Base-Base interactions energy: -333.720
where: short stacking energy: -149.781
Base-Backbone interact. energy: -0.626
local terms energy: -158.067243
where:
bonds (distance) C4'-P energy: -27.015
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -45.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -479.861264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.861264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.861264 (E_RNA)
where:
Base-Base interactions energy: -324.527
where: short stacking energy: -164.758
Base-Backbone interact. energy: -0.594
local terms energy: -154.740664
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -25.098
flat angles C4'-P-C4' energy: -36.632
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -45.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -443.202822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.202822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.202822 (E_RNA)
where:
Base-Base interactions energy: -300.997
where: short stacking energy: -142.725
Base-Backbone interact. energy: 0.245
local terms energy: -142.451123
where:
bonds (distance) C4'-P energy: -25.912
bonds (distance) P-C4' energy: -27.951
flat angles C4'-P-C4' energy: -30.990
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -37.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -186.427831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.427831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.427831 (E_RNA)
where:
Base-Base interactions energy: -73.288
where: short stacking energy: -73.050
Base-Backbone interact. energy: 0.221
local terms energy: -113.360652
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -35.152
flat angles C4'-P-C4' energy: -23.714
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -11.303
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: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -305.179261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.179261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.179261 (E_RNA)
where:
Base-Base interactions energy: -184.543
where: short stacking energy: -94.918
Base-Backbone interact. energy: -0.524
local terms energy: -120.111562
where:
bonds (distance) C4'-P energy: -27.296
bonds (distance) P-C4' energy: -33.582
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -21.751
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: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -296.173672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.173672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.173672 (E_RNA)
where:
Base-Base interactions energy: -182.611
where: short stacking energy: -98.902
Base-Backbone interact. energy: -0.601
local terms energy: -112.961917
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -29.950
flat angles P-C4'-P energy: -17.985
tors. eta vs tors. theta energy: -22.795
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: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -593.361734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.361734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.361734 (E_RNA)
where:
Base-Base interactions energy: -408.193
where: short stacking energy: -194.016
Base-Backbone interact. energy: -0.806
local terms energy: -184.363374
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -37.850
flat angles C4'-P-C4' energy: -38.940
flat angles P-C4'-P energy: -26.444
tors. eta vs tors. theta energy: -51.234
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: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -538.359182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.359182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.359182 (E_RNA)
where:
Base-Base interactions energy: -364.679
where: short stacking energy: -177.780
Base-Backbone interact. energy: -1.539
local terms energy: -172.140621
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -36.537
flat angles P-C4'-P energy: -27.186
tors. eta vs tors. theta energy: -52.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -563.833276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.833276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.833276 (E_RNA)
where:
Base-Base interactions energy: -386.050
where: short stacking energy: -173.812
Base-Backbone interact. energy: 0.806
local terms energy: -178.589106
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -34.424
flat angles C4'-P-C4' energy: -37.033
flat angles P-C4'-P energy: -26.985
tors. eta vs tors. theta energy: -48.623
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: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -498.294542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.294542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.294542 (E_RNA)
where:
Base-Base interactions energy: -334.167
where: short stacking energy: -153.776
Base-Backbone interact. energy: -0.222
local terms energy: -163.905901
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -37.220
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -43.207
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: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -473.901039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.901039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.901039 (E_RNA)
where:
Base-Base interactions energy: -320.810
where: short stacking energy: -151.515
Base-Backbone interact. energy: -1.269
local terms energy: -151.822437
where:
bonds (distance) C4'-P energy: -28.493
bonds (distance) P-C4' energy: -28.571
flat angles C4'-P-C4' energy: -30.097
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -40.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -487.407864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.407864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.407864 (E_RNA)
where:
Base-Base interactions energy: -341.599
where: short stacking energy: -153.121
Base-Backbone interact. energy: -1.465
local terms energy: -144.344514
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -32.812
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -43.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -404.161653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.161653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.161653 (E_RNA)
where:
Base-Base interactions energy: -263.739
where: short stacking energy: -135.394
Base-Backbone interact. energy: -0.801
local terms energy: -139.621786
where:
bonds (distance) C4'-P energy: -30.486
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -30.990
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -29.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -180.290246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.290246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.290246 (E_RNA)
where:
Base-Base interactions energy: -78.666
where: short stacking energy: -50.525
Base-Backbone interact. energy: -1.127
local terms energy: -100.497786
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -28.160
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: 1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -311.846767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.846767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.846767 (E_RNA)
where:
Base-Base interactions energy: -187.258
where: short stacking energy: -117.507
Base-Backbone interact. energy: -0.299
local terms energy: -124.289165
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -29.292
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -253.861678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.861678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.861678 (E_RNA)
where:
Base-Base interactions energy: -151.256
where: short stacking energy: -74.230
Base-Backbone interact. energy: -2.229
local terms energy: -100.376894
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -27.906
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -598.194288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.194288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.194288 (E_RNA)
where:
Base-Base interactions energy: -423.742
where: short stacking energy: -185.401
Base-Backbone interact. energy: -0.958
local terms energy: -173.494010
where:
bonds (distance) C4'-P energy: -31.679
bonds (distance) P-C4' energy: -28.626
flat angles C4'-P-C4' energy: -37.531
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -52.287
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: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -564.729251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.729251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.729251 (E_RNA)
where:
Base-Base interactions energy: -398.169
where: short stacking energy: -180.046
Base-Backbone interact. energy: -0.806
local terms energy: -165.753908
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -32.721
flat angles C4'-P-C4' energy: -38.323
flat angles P-C4'-P energy: -24.905
tors. eta vs tors. theta energy: -47.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -527.668314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.668314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.668314 (E_RNA)
where:
Base-Base interactions energy: -348.077
where: short stacking energy: -169.759
Base-Backbone interact. energy: -0.843
local terms energy: -178.748536
where:
bonds (distance) C4'-P energy: -35.632
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -36.791
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -51.843
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: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -499.515432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.515432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.515432 (E_RNA)
where:
Base-Base interactions energy: -346.849
where: short stacking energy: -154.564
Base-Backbone interact. energy: -0.953
local terms energy: -151.713109
where:
bonds (distance) C4'-P energy: -29.791
bonds (distance) P-C4' energy: -30.279
flat angles C4'-P-C4' energy: -29.960
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: -41.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -493.587605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.587605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.587605 (E_RNA)
where:
Base-Base interactions energy: -339.619
where: short stacking energy: -168.098
Base-Backbone interact. energy: -0.429
local terms energy: -153.540190
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -49.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -470.589456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.589456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.589456 (E_RNA)
where:
Base-Base interactions energy: -321.871
where: short stacking energy: -149.478
Base-Backbone interact. energy: -0.112
local terms energy: -148.606785
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -46.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -390.752043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.752043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.752043 (E_RNA)
where:
Base-Base interactions energy: -254.150
where: short stacking energy: -132.369
Base-Backbone interact. energy: -1.359
local terms energy: -135.242677
where:
bonds (distance) C4'-P energy: -28.913
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -25.159
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -34.870
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: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -293.194732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.194732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.194732 (E_RNA)
where:
Base-Base interactions energy: -179.192
where: short stacking energy: -84.086
Base-Backbone interact. energy: -0.525
local terms energy: -113.477928
where:
bonds (distance) C4'-P energy: -35.125
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -13.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -166.094282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.094282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.094282 (E_RNA)
where:
Base-Base interactions energy: -63.164
where: short stacking energy: -60.703
Base-Backbone interact. energy: -1.237
local terms energy: -101.693987
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -3.566
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: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -230.388308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.388308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.388308 (E_RNA)
where:
Base-Base interactions energy: -135.225
where: short stacking energy: -69.368
Base-Backbone interact. energy: -1.503
local terms energy: -93.660881
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -27.275
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -574.815675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.815675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.815675 (E_RNA)
where:
Base-Base interactions energy: -397.005
where: short stacking energy: -176.784
Base-Backbone interact. energy: -0.574
local terms energy: -177.236831
where:
bonds (distance) C4'-P energy: -30.381
bonds (distance) P-C4' energy: -36.087
flat angles C4'-P-C4' energy: -32.828
flat angles P-C4'-P energy: -27.178
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: 2, replica: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -581.915803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.915803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.915803 (E_RNA)
where:
Base-Base interactions energy: -403.045
where: short stacking energy: -181.501
Base-Backbone interact. energy: -0.007
local terms energy: -178.863873
where:
bonds (distance) C4'-P energy: -35.388
bonds (distance) P-C4' energy: -30.871
flat angles C4'-P-C4' energy: -37.514
flat angles P-C4'-P energy: -22.591
tors. eta vs tors. theta energy: -52.500
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: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -528.580138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.580138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.580138 (E_RNA)
where:
Base-Base interactions energy: -357.364
where: short stacking energy: -172.198
Base-Backbone interact. energy: 0.039
local terms energy: -171.255329
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -29.220
flat angles C4'-P-C4' energy: -31.286
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: -52.339
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: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -511.828069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.828069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.828069 (E_RNA)
where:
Base-Base interactions energy: -351.798
where: short stacking energy: -145.857
Base-Backbone interact. energy: 0.295
local terms energy: -160.325093
where:
bonds (distance) C4'-P energy: -33.011
bonds (distance) P-C4' energy: -36.422
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -24.320
tors. eta vs tors. theta energy: -40.366
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: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -482.084551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.084551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.084551 (E_RNA)
where:
Base-Base interactions energy: -323.519
where: short stacking energy: -153.120
Base-Backbone interact. energy: -0.685
local terms energy: -157.880220
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -29.421
flat angles C4'-P-C4' energy: -32.653
flat angles P-C4'-P energy: -22.893
tors. eta vs tors. theta energy: -42.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -471.918711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.918711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.918711 (E_RNA)
where:
Base-Base interactions energy: -302.625
where: short stacking energy: -147.097
Base-Backbone interact. energy: -0.275
local terms energy: -169.019407
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -31.276
flat angles C4'-P-C4' energy: -39.112
flat angles P-C4'-P energy: -27.215
tors. eta vs tors. theta energy: -40.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -389.723807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.723807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.723807 (E_RNA)
where:
Base-Base interactions energy: -240.363
where: short stacking energy: -114.822
Base-Backbone interact. energy: -0.785
local terms energy: -148.575628
where:
bonds (distance) C4'-P energy: -29.144
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -29.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -293.954311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.954311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.954311 (E_RNA)
where:
Base-Base interactions energy: -160.838
where: short stacking energy: -80.176
Base-Backbone interact. energy: -0.144
local terms energy: -132.972598
where:
bonds (distance) C4'-P energy: -28.207
bonds (distance) P-C4' energy: -35.032
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -22.755
tors. eta vs tors. theta energy: -29.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -187.096814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.096814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.096814 (E_RNA)
where:
Base-Base interactions energy: -83.314
where: short stacking energy: -83.106
Base-Backbone interact. energy: 0.968
local terms energy: -104.751300
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -25.418
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -7.584
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: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -192.479886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.479886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.479886 (E_RNA)
where:
Base-Base interactions energy: -90.972
where: short stacking energy: -71.845
Base-Backbone interact. energy: -0.587
local terms energy: -100.920579
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -25.820
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -573.944444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.944444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.944444 (E_RNA)
where:
Base-Base interactions energy: -403.819
where: short stacking energy: -176.565
Base-Backbone interact. energy: -0.048
local terms energy: -170.077560
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -24.708
tors. eta vs tors. theta energy: -47.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -583.486036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.486036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.486036 (E_RNA)
where:
Base-Base interactions energy: -403.702
where: short stacking energy: -180.556
Base-Backbone interact. energy: -0.164
local terms energy: -179.619823
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -34.109
flat angles C4'-P-C4' energy: -37.097
flat angles P-C4'-P energy: -27.325
tors. eta vs tors. theta energy: -52.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -538.814179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.814179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.814179 (E_RNA)
where:
Base-Base interactions energy: -368.109
where: short stacking energy: -171.075
Base-Backbone interact. energy: -1.364
local terms energy: -169.341118
where:
bonds (distance) C4'-P energy: -30.602
bonds (distance) P-C4' energy: -34.444
flat angles C4'-P-C4' energy: -30.604
flat angles P-C4'-P energy: -25.470
tors. eta vs tors. theta energy: -48.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -477.438836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.438836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.438836 (E_RNA)
where:
Base-Base interactions energy: -322.545
where: short stacking energy: -140.120
Base-Backbone interact. energy: -1.090
local terms energy: -153.803742
where:
bonds (distance) C4'-P energy: -33.882
bonds (distance) P-C4' energy: -30.859
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: -40.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -504.169807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.169807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.169807 (E_RNA)
where:
Base-Base interactions energy: -353.273
where: short stacking energy: -159.015
Base-Backbone interact. energy: -0.912
local terms energy: -149.984761
where:
bonds (distance) C4'-P energy: -28.094
bonds (distance) P-C4' energy: -25.608
flat angles C4'-P-C4' energy: -32.738
flat angles P-C4'-P energy: -24.337
tors. eta vs tors. theta energy: -39.208
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: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -464.112077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.112077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.112077 (E_RNA)
where:
Base-Base interactions energy: -304.846
where: short stacking energy: -145.881
Base-Backbone interact. energy: -0.807
local terms energy: -158.458961
where:
bonds (distance) C4'-P energy: -32.051
bonds (distance) P-C4' energy: -27.028
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -24.199
tors. eta vs tors. theta energy: -38.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -403.288996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.288996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.288996 (E_RNA)
where:
Base-Base interactions energy: -251.127
where: short stacking energy: -133.497
Base-Backbone interact. energy: -0.303
local terms energy: -151.858764
where:
bonds (distance) C4'-P energy: -29.461
bonds (distance) P-C4' energy: -31.930
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -23.135
tors. eta vs tors. theta energy: -32.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -299.674847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.674847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.674847 (E_RNA)
where:
Base-Base interactions energy: -176.032
where: short stacking energy: -99.067
Base-Backbone interact. energy: -1.020
local terms energy: -122.622228
where:
bonds (distance) C4'-P energy: -25.407
bonds (distance) P-C4' energy: -29.896
flat angles C4'-P-C4' energy: -33.125
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -18.447
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: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -170.004057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.004057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.004057 (E_RNA)
where:
Base-Base interactions energy: -90.988
where: short stacking energy: -69.782
Base-Backbone interact. energy: 0.463
local terms energy: -79.479167
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -10.017
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: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -162.909980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.909980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.909980 (E_RNA)
where:
Base-Base interactions energy: -66.267
where: short stacking energy: -57.548
Base-Backbone interact. energy: -1.558
local terms energy: -95.084890
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -6.688
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: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -591.030007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.030007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.030007 (E_RNA)
where:
Base-Base interactions energy: -407.531
where: short stacking energy: -185.929
Base-Backbone interact. energy: -0.014
local terms energy: -183.485607
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -38.745
flat angles P-C4'-P energy: -26.934
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: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -574.052603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.052603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.052603 (E_RNA)
where:
Base-Base interactions energy: -393.028
where: short stacking energy: -175.150
Base-Backbone interact. energy: -0.774
local terms energy: -180.250640
where:
bonds (distance) C4'-P energy: -33.365
bonds (distance) P-C4' energy: -34.526
flat angles C4'-P-C4' energy: -32.856
flat angles P-C4'-P energy: -28.076
tors. eta vs tors. theta energy: -51.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -525.309509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.309509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.309509 (E_RNA)
where:
Base-Base interactions energy: -355.190
where: short stacking energy: -173.508
Base-Backbone interact. energy: -0.009
local terms energy: -170.110140
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -34.151
flat angles C4'-P-C4' energy: -31.783
flat angles P-C4'-P energy: -26.306
tors. eta vs tors. theta energy: -50.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -475.075125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.075125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.075125 (E_RNA)
where:
Base-Base interactions energy: -323.764
where: short stacking energy: -149.445
Base-Backbone interact. energy: 0.717
local terms energy: -152.028292
where:
bonds (distance) C4'-P energy: -32.647
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -29.309
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -38.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -471.585630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.585630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.585630 (E_RNA)
where:
Base-Base interactions energy: -321.485
where: short stacking energy: -159.436
Base-Backbone interact. energy: 0.061
local terms energy: -150.161815
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -29.163
flat angles C4'-P-C4' energy: -36.882
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -45.911
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: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -480.778910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.778910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.778910 (E_RNA)
where:
Base-Base interactions energy: -334.364
where: short stacking energy: -136.897
Base-Backbone interact. energy: -1.314
local terms energy: -145.101169
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -33.873
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -40.636
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: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -308.148614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.148614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.148614 (E_RNA)
where:
Base-Base interactions energy: -184.453
where: short stacking energy: -94.041
Base-Backbone interact. energy: -2.135
local terms energy: -121.560298
where:
bonds (distance) C4'-P energy: -29.839
bonds (distance) P-C4' energy: -26.558
flat angles C4'-P-C4' energy: -24.754
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -19.754
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: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -370.424921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.424921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.424921 (E_RNA)
where:
Base-Base interactions energy: -255.885
where: short stacking energy: -127.360
Base-Backbone interact. energy: -0.166
local terms energy: -114.373624
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -27.576
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -33.993
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: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -184.841819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.841819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.841819 (E_RNA)
where:
Base-Base interactions energy: -83.211
where: short stacking energy: -75.653
Base-Backbone interact. energy: -0.469
local terms energy: -101.161549
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -172.317139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.317139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.317139 (E_RNA)
where:
Base-Base interactions energy: -78.108
where: short stacking energy: -70.026
Base-Backbone interact. energy: 1.958
local terms energy: -96.167506
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -25.517
flat angles C4'-P-C4' energy: -30.719
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -4.894
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: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -586.587089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.587089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.587089 (E_RNA)
where:
Base-Base interactions energy: -408.736
where: short stacking energy: -177.782
Base-Backbone interact. energy: 0.190
local terms energy: -178.040655
where:
bonds (distance) C4'-P energy: -31.596
bonds (distance) P-C4' energy: -34.360
flat angles C4'-P-C4' energy: -37.087
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -48.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -568.294556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.294556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.294556 (E_RNA)
where:
Base-Base interactions energy: -399.830
where: short stacking energy: -167.040
Base-Backbone interact. energy: -0.660
local terms energy: -167.804835
where:
bonds (distance) C4'-P energy: -28.824
bonds (distance) P-C4' energy: -31.402
flat angles C4'-P-C4' energy: -38.239
flat angles P-C4'-P energy: -22.917
tors. eta vs tors. theta energy: -46.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -521.429868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.429868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.429868 (E_RNA)
where:
Base-Base interactions energy: -355.208
where: short stacking energy: -176.776
Base-Backbone interact. energy: -0.105
local terms energy: -166.117596
where:
bonds (distance) C4'-P energy: -30.417
bonds (distance) P-C4' energy: -33.196
flat angles C4'-P-C4' energy: -34.096
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -51.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -505.435178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.435178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.435178 (E_RNA)
where:
Base-Base interactions energy: -345.974
where: short stacking energy: -153.937
Base-Backbone interact. energy: -1.426
local terms energy: -158.035186
where:
bonds (distance) C4'-P energy: -32.234
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -27.519
tors. eta vs tors. theta energy: -40.516
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: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -485.420717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.420717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.420717 (E_RNA)
where:
Base-Base interactions energy: -327.371
where: short stacking energy: -153.624
Base-Backbone interact. energy: -0.364
local terms energy: -157.685495
where:
bonds (distance) C4'-P energy: -23.475
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -25.569
tors. eta vs tors. theta energy: -47.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -459.077904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.077904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.077904 (E_RNA)
where:
Base-Base interactions energy: -307.862
where: short stacking energy: -133.522
Base-Backbone interact. energy: -0.080
local terms energy: -151.135753
where:
bonds (distance) C4'-P energy: -28.447
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -40.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -312.900702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.900702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.900702 (E_RNA)
where:
Base-Base interactions energy: -182.396
where: short stacking energy: -108.944
Base-Backbone interact. energy: -0.293
local terms energy: -130.212262
where:
bonds (distance) C4'-P energy: -29.451
bonds (distance) P-C4' energy: -28.042
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -28.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -401.322844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.322844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.322844 (E_RNA)
where:
Base-Base interactions energy: -263.013
where: short stacking energy: -137.235
Base-Backbone interact. energy: 0.353
local terms energy: -138.662493
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -34.509
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -31.835
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: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -186.574128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.574128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.574128 (E_RNA)
where:
Base-Base interactions energy: -96.028
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.406
local terms energy: -90.139952
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -29.567
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -1.345
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: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -163.986035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.986035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.986035 (E_RNA)
where:
Base-Base interactions energy: -60.430
where: short stacking energy: -47.049
Base-Backbone interact. energy: 3.309
local terms energy: -106.865005
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -25.239
flat angles C4'-P-C4' energy: -29.804
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -7.678
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: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -575.944549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.944549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.944549 (E_RNA)
where:
Base-Base interactions energy: -397.820
where: short stacking energy: -171.863
Base-Backbone interact. energy: -1.199
local terms energy: -176.924554
where:
bonds (distance) C4'-P energy: -28.926
bonds (distance) P-C4' energy: -28.078
flat angles C4'-P-C4' energy: -40.868
flat angles P-C4'-P energy: -27.576
tors. eta vs tors. theta energy: -51.476
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: 278
Temperature: 0.950000
Total energy: -570.808424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.808424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.808424 (E_RNA)
where:
Base-Base interactions energy: -400.542
where: short stacking energy: -178.075
Base-Backbone interact. energy: -0.009
local terms energy: -170.257374
where:
bonds (distance) C4'-P energy: -33.092
bonds (distance) P-C4' energy: -32.435
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -25.778
tors. eta vs tors. theta energy: -47.339
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: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -545.998762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.998762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.998762 (E_RNA)
where:
Base-Base interactions energy: -364.577
where: short stacking energy: -187.674
Base-Backbone interact. energy: -0.580
local terms energy: -180.841767
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -40.156
flat angles P-C4'-P energy: -26.629
tors. eta vs tors. theta energy: -54.025
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: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -497.480613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.480613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.480613 (E_RNA)
where:
Base-Base interactions energy: -328.959
where: short stacking energy: -144.105
Base-Backbone interact. energy: -0.613
local terms energy: -167.908547
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -33.984
flat angles C4'-P-C4' energy: -41.025
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -40.822
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: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -483.949034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.949034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.949034 (E_RNA)
where:
Base-Base interactions energy: -325.165
where: short stacking energy: -144.202
Base-Backbone interact. energy: 0.023
local terms energy: -158.806945
where:
bonds (distance) C4'-P energy: -30.247
bonds (distance) P-C4' energy: -30.803
flat angles C4'-P-C4' energy: -28.788
flat angles P-C4'-P energy: -21.594
tors. eta vs tors. theta energy: -47.375
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: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -456.561820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.561820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.561820 (E_RNA)
where:
Base-Base interactions energy: -299.821
where: short stacking energy: -136.706
Base-Backbone interact. energy: -0.209
local terms energy: -156.531693
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -36.032
flat angles C4'-P-C4' energy: -34.455
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -41.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -398.466410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.466410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.466410 (E_RNA)
where:
Base-Base interactions energy: -265.427
where: short stacking energy: -136.843
Base-Backbone interact. energy: -0.039
local terms energy: -132.999699
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -30.054
flat angles C4'-P-C4' energy: -33.082
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -31.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -311.030336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.030336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.030336 (E_RNA)
where:
Base-Base interactions energy: -196.478
where: short stacking energy: -109.746
Base-Backbone interact. energy: -1.436
local terms energy: -113.116181
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -28.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -204.301079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.301079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.301079 (E_RNA)
where:
Base-Base interactions energy: -113.052
where: short stacking energy: -59.192
Base-Backbone interact. energy: -0.793
local terms energy: -90.456278
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -30.365
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: 0.112
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: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -153.842986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.842986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.842986 (E_RNA)
where:
Base-Base interactions energy: -58.734
where: short stacking energy: -54.232
Base-Backbone interact. energy: -0.960
local terms energy: -94.149201
where:
bonds (distance) C4'-P energy: -29.497
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: 0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -589.885578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.885578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.885578 (E_RNA)
where:
Base-Base interactions energy: -407.889
where: short stacking energy: -181.447
Base-Backbone interact. energy: -0.041
local terms energy: -181.954818
where:
bonds (distance) C4'-P energy: -33.207
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -40.184
flat angles P-C4'-P energy: -28.738
tors. eta vs tors. theta energy: -49.205
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: 279
Temperature: 0.950000
Total energy: -570.964689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.964689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.964689 (E_RNA)
where:
Base-Base interactions energy: -393.624
where: short stacking energy: -178.252
Base-Backbone interact. energy: -0.834
local terms energy: -176.507015
where:
bonds (distance) C4'-P energy: -33.166
bonds (distance) P-C4' energy: -30.996
flat angles C4'-P-C4' energy: -36.860
flat angles P-C4'-P energy: -24.568
tors. eta vs tors. theta energy: -50.918
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: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -507.635689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.635689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.635689 (E_RNA)
where:
Base-Base interactions energy: -360.256
where: short stacking energy: -175.113
Base-Backbone interact. energy: -0.695
local terms energy: -146.684153
where:
bonds (distance) C4'-P energy: -28.397
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -48.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -496.432300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.432300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.432300 (E_RNA)
where:
Base-Base interactions energy: -336.416
where: short stacking energy: -153.512
Base-Backbone interact. energy: 1.993
local terms energy: -162.009331
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -34.375
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -27.686
tors. eta vs tors. theta energy: -39.854
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: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -498.853312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.853312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.853312 (E_RNA)
where:
Base-Base interactions energy: -334.293
where: short stacking energy: -152.651
Base-Backbone interact. energy: -2.023
local terms energy: -162.537532
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -35.310
flat angles P-C4'-P energy: -21.987
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: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -421.915813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.915813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.915813 (E_RNA)
where:
Base-Base interactions energy: -283.392
where: short stacking energy: -139.309
Base-Backbone interact. energy: -0.914
local terms energy: -137.609271
where:
bonds (distance) C4'-P energy: -32.151
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -30.257
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -32.237
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: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -369.970868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.970868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.970868 (E_RNA)
where:
Base-Base interactions energy: -236.248
where: short stacking energy: -122.064
Base-Backbone interact. energy: -0.165
local terms energy: -133.557577
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -31.240
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -26.037
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: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -344.628950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.628950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.628950 (E_RNA)
where:
Base-Base interactions energy: -214.883
where: short stacking energy: -105.822
Base-Backbone interact. energy: -0.463
local terms energy: -129.283570
where:
bonds (distance) C4'-P energy: -35.437
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -22.732
tors. eta vs tors. theta energy: -23.621
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: 9, replica: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -177.144769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.144769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.144769 (E_RNA)
where:
Base-Base interactions energy: -72.329
where: short stacking energy: -69.926
Base-Backbone interact. energy: 0.243
local terms energy: -105.058542
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -170.664364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.664364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.664364 (E_RNA)
where:
Base-Base interactions energy: -70.134
where: short stacking energy: -66.104
Base-Backbone interact. energy: 0.166
local terms energy: -100.696308
where:
bonds (distance) C4'-P energy: -30.938
bonds (distance) P-C4' energy: -25.820
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -6.996
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: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -595.726883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.726883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.726883 (E_RNA)
where:
Base-Base interactions energy: -408.525
where: short stacking energy: -185.416
Base-Backbone interact. energy: -0.052
local terms energy: -187.149598
where:
bonds (distance) C4'-P energy: -34.528
bonds (distance) P-C4' energy: -35.555
flat angles C4'-P-C4' energy: -40.365
flat angles P-C4'-P energy: -25.625
tors. eta vs tors. theta energy: -51.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -585.589780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.589780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.589780 (E_RNA)
where:
Base-Base interactions energy: -395.940
where: short stacking energy: -176.226
Base-Backbone interact. energy: -1.694
local terms energy: -187.956429
where:
bonds (distance) C4'-P energy: -29.827
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -40.638
flat angles P-C4'-P energy: -28.468
tors. eta vs tors. theta energy: -53.337
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: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -523.636704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.636704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.636704 (E_RNA)
where:
Base-Base interactions energy: -354.865
where: short stacking energy: -153.627
Base-Backbone interact. energy: -0.084
local terms energy: -168.687804
where:
bonds (distance) C4'-P energy: -32.309
bonds (distance) P-C4' energy: -33.133
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -46.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -492.358458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.358458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.358458 (E_RNA)
where:
Base-Base interactions energy: -345.052
where: short stacking energy: -143.971
Base-Backbone interact. energy: -0.836
local terms energy: -146.470830
where:
bonds (distance) C4'-P energy: -26.429
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -37.305
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: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -509.748811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.748811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.748811 (E_RNA)
where:
Base-Base interactions energy: -357.927
where: short stacking energy: -164.296
Base-Backbone interact. energy: -0.053
local terms energy: -151.769112
where:
bonds (distance) C4'-P energy: -29.176
bonds (distance) P-C4' energy: -31.318
flat angles C4'-P-C4' energy: -28.099
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -44.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -439.261958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.261958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.261958 (E_RNA)
where:
Base-Base interactions energy: -299.090
where: short stacking energy: -150.182
Base-Backbone interact. energy: 0.727
local terms energy: -140.899248
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -32.002
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -38.953
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: 280
Temperature: 1.200000
Total energy: -330.334968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.334968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.334968 (E_RNA)
where:
Base-Base interactions energy: -204.833
where: short stacking energy: -109.836
Base-Backbone interact. energy: 1.179
local terms energy: -126.680713
where:
bonds (distance) C4'-P energy: -27.986
bonds (distance) P-C4' energy: -27.637
flat angles C4'-P-C4' energy: -32.681
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -358.585318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.585318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.585318 (E_RNA)
where:
Base-Base interactions energy: -231.156
where: short stacking energy: -110.394
Base-Backbone interact. energy: -0.563
local terms energy: -126.866352
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -34.913
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -28.541
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: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -170.292435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.292435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.292435 (E_RNA)
where:
Base-Base interactions energy: -65.908
where: short stacking energy: -65.727
Base-Backbone interact. energy: -0.577
local terms energy: -103.806962
where:
bonds (distance) C4'-P energy: -32.015
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -168.575407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.575407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.575407 (E_RNA)
where:
Base-Base interactions energy: -76.760
where: short stacking energy: -62.773
Base-Backbone interact. energy: 1.243
local terms energy: -93.058573
where:
bonds (distance) C4'-P energy: -32.961
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: 5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -579.801260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.801260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.801260 (E_RNA)
where:
Base-Base interactions energy: -401.440
where: short stacking energy: -179.076
Base-Backbone interact. energy: -0.050
local terms energy: -178.310573
where:
bonds (distance) C4'-P energy: -33.530
bonds (distance) P-C4' energy: -32.031
flat angles C4'-P-C4' energy: -37.137
flat angles P-C4'-P energy: -26.806
tors. eta vs tors. theta energy: -48.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -582.608328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.608328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.608328 (E_RNA)
where:
Base-Base interactions energy: -409.764
where: short stacking energy: -189.674
Base-Backbone interact. energy: -0.080
local terms energy: -172.763828
where:
bonds (distance) C4'-P energy: -34.047
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -31.842
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -54.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -531.113747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.113747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.113747 (E_RNA)
where:
Base-Base interactions energy: -356.121
where: short stacking energy: -170.792
Base-Backbone interact. energy: -0.222
local terms energy: -174.770157
where:
bonds (distance) C4'-P energy: -30.248
bonds (distance) P-C4' energy: -34.689
flat angles C4'-P-C4' energy: -36.148
flat angles P-C4'-P energy: -29.133
tors. eta vs tors. theta energy: -44.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -488.035414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.035414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.035414 (E_RNA)
where:
Base-Base interactions energy: -327.042
where: short stacking energy: -157.679
Base-Backbone interact. energy: -1.683
local terms energy: -159.310576
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -33.905
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -47.093
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: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -485.119200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.119200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.119200 (E_RNA)
where:
Base-Base interactions energy: -335.723
where: short stacking energy: -151.441
Base-Backbone interact. energy: -0.105
local terms energy: -149.290867
where:
bonds (distance) C4'-P energy: -26.115
bonds (distance) P-C4' energy: -26.153
flat angles C4'-P-C4' energy: -34.518
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -41.701
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: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -472.490493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.490493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.490493 (E_RNA)
where:
Base-Base interactions energy: -326.358
where: short stacking energy: -131.334
Base-Backbone interact. energy: -2.389
local terms energy: -143.743023
where:
bonds (distance) C4'-P energy: -30.333
bonds (distance) P-C4' energy: -29.621
flat angles C4'-P-C4' energy: -30.249
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -32.594
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: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -354.077083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.077083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.077083 (E_RNA)
where:
Base-Base interactions energy: -230.225
where: short stacking energy: -111.110
Base-Backbone interact. energy: 3.476
local terms energy: -127.328051
where:
bonds (distance) C4'-P energy: -31.032
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -24.707
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: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -383.243539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.243539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.243539 (E_RNA)
where:
Base-Base interactions energy: -252.286
where: short stacking energy: -120.167
Base-Backbone interact. energy: -1.874
local terms energy: -129.083593
where:
bonds (distance) C4'-P energy: -25.045
bonds (distance) P-C4' energy: -24.746
flat angles C4'-P-C4' energy: -36.331
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -24.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -167.409205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.409205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.409205 (E_RNA)
where:
Base-Base interactions energy: -66.420
where: short stacking energy: -53.600
Base-Backbone interact. energy: 1.431
local terms energy: -102.420905
where:
bonds (distance) C4'-P energy: -26.597
bonds (distance) P-C4' energy: -29.079
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -158.974592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.974592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.974592 (E_RNA)
where:
Base-Base interactions energy: -62.247
where: short stacking energy: -45.352
Base-Backbone interact. energy: 0.641
local terms energy: -97.368392
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -36.180
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -589.859866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.859866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.859866 (E_RNA)
where:
Base-Base interactions energy: -403.351
where: short stacking energy: -183.031
Base-Backbone interact. energy: -0.753
local terms energy: -185.755891
where:
bonds (distance) C4'-P energy: -32.586
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -38.651
flat angles P-C4'-P energy: -28.931
tors. eta vs tors. theta energy: -53.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -583.059683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.059683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.059683 (E_RNA)
where:
Base-Base interactions energy: -409.286
where: short stacking energy: -180.035
Base-Backbone interact. energy: -0.029
local terms energy: -173.744404
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -32.659
flat angles C4'-P-C4' energy: -38.492
flat angles P-C4'-P energy: -26.389
tors. eta vs tors. theta energy: -47.656
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: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -526.588691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.588691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.588691 (E_RNA)
where:
Base-Base interactions energy: -348.147
where: short stacking energy: -167.053
Base-Backbone interact. energy: -0.135
local terms energy: -178.307353
where:
bonds (distance) C4'-P energy: -33.286
bonds (distance) P-C4' energy: -32.775
flat angles C4'-P-C4' energy: -37.221
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -48.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -470.912218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.912218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.912218 (E_RNA)
where:
Base-Base interactions energy: -319.991
where: short stacking energy: -150.116
Base-Backbone interact. energy: -1.153
local terms energy: -149.769105
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -29.793
flat angles P-C4'-P energy: -21.436
tors. eta vs tors. theta energy: -42.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -470.865757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.865757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.865757 (E_RNA)
where:
Base-Base interactions energy: -323.650
where: short stacking energy: -145.993
Base-Backbone interact. energy: -0.879
local terms energy: -146.336871
where:
bonds (distance) C4'-P energy: -33.773
bonds (distance) P-C4' energy: -30.998
flat angles C4'-P-C4' energy: -30.839
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -38.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -451.293414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.293414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.293414 (E_RNA)
where:
Base-Base interactions energy: -301.140
where: short stacking energy: -143.849
Base-Backbone interact. energy: -0.031
local terms energy: -150.122584
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -39.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -420.573176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.573176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.573176 (E_RNA)
where:
Base-Base interactions energy: -279.238
where: short stacking energy: -127.421
Base-Backbone interact. energy: -3.070
local terms energy: -138.264658
where:
bonds (distance) C4'-P energy: -26.968
bonds (distance) P-C4' energy: -30.579
flat angles C4'-P-C4' energy: -25.127
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -32.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -361.984558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.984558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.984558 (E_RNA)
where:
Base-Base interactions energy: -231.411
where: short stacking energy: -113.899
Base-Backbone interact. energy: -1.806
local terms energy: -128.767587
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -25.153
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: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -168.489518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.489518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.489518 (E_RNA)
where:
Base-Base interactions energy: -59.794
where: short stacking energy: -50.216
Base-Backbone interact. energy: 0.426
local terms energy: -109.121260
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -28.909
flat angles C4'-P-C4' energy: -28.991
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -4.975
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: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -157.071178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.071178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.071178 (E_RNA)
where:
Base-Base interactions energy: -76.452
where: short stacking energy: -57.521
Base-Backbone interact. energy: 3.275
local terms energy: -83.894470
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -30.770
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: 2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -594.841063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.841063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.841063 (E_RNA)
where:
Base-Base interactions energy: -403.003
where: short stacking energy: -187.061
Base-Backbone interact. energy: -0.694
local terms energy: -191.143224
where:
bonds (distance) C4'-P energy: -34.174
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -37.453
flat angles P-C4'-P energy: -29.514
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: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -544.914110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.914110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.914110 (E_RNA)
where:
Base-Base interactions energy: -360.386
where: short stacking energy: -173.363
Base-Backbone interact. energy: -2.252
local terms energy: -182.276656
where:
bonds (distance) C4'-P energy: -32.275
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -39.587
flat angles P-C4'-P energy: -27.511
tors. eta vs tors. theta energy: -51.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -569.828849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.828849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.828849 (E_RNA)
where:
Base-Base interactions energy: -391.630
where: short stacking energy: -185.268
Base-Backbone interact. energy: -1.725
local terms energy: -176.472896
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -36.250
flat angles C4'-P-C4' energy: -36.289
flat angles P-C4'-P energy: -24.832
tors. eta vs tors. theta energy: -49.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -505.445315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.445315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.445315 (E_RNA)
where:
Base-Base interactions energy: -343.210
where: short stacking energy: -151.548
Base-Backbone interact. energy: -0.839
local terms energy: -161.396537
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -36.178
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: -35.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -475.048021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.048021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.048021 (E_RNA)
where:
Base-Base interactions energy: -306.062
where: short stacking energy: -143.049
Base-Backbone interact. energy: -1.151
local terms energy: -167.835526
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -35.122
flat angles C4'-P-C4' energy: -38.251
flat angles P-C4'-P energy: -28.192
tors. eta vs tors. theta energy: -41.694
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: 283
Temperature: 1.150000
Total energy: -417.547667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.547667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.547667 (E_RNA)
where:
Base-Base interactions energy: -290.274
where: short stacking energy: -143.630
Base-Backbone interact. energy: -0.295
local terms energy: -126.979303
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -33.986
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: -34.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -452.893023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.893023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.893023 (E_RNA)
where:
Base-Base interactions energy: -301.934
where: short stacking energy: -139.233
Base-Backbone interact. energy: -0.852
local terms energy: -150.107638
where:
bonds (distance) C4'-P energy: -30.449
bonds (distance) P-C4' energy: -29.125
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -22.818
tors. eta vs tors. theta energy: -41.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -349.566456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.566456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.566456 (E_RNA)
where:
Base-Base interactions energy: -226.638
where: short stacking energy: -109.352
Base-Backbone interact. energy: 1.100
local terms energy: -124.027641
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -33.248
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -31.591
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: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -172.977804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.977804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.977804 (E_RNA)
where:
Base-Base interactions energy: -72.860
where: short stacking energy: -67.771
Base-Backbone interact. energy: -0.730
local terms energy: -99.387377
where:
bonds (distance) C4'-P energy: -33.377
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -6.617
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: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -157.833475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.833475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.833475 (E_RNA)
where:
Base-Base interactions energy: -60.771
where: short stacking energy: -57.505
Base-Backbone interact. energy: 0.465
local terms energy: -97.528052
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: 1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -593.916972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.916972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.916972 (E_RNA)
where:
Base-Base interactions energy: -400.877
where: short stacking energy: -181.457
Base-Backbone interact. energy: 1.032
local terms energy: -194.071858
where:
bonds (distance) C4'-P energy: -34.669
bonds (distance) P-C4' energy: -39.022
flat angles C4'-P-C4' energy: -38.599
flat angles P-C4'-P energy: -28.496
tors. eta vs tors. theta energy: -53.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -536.869770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.869770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.869770 (E_RNA)
where:
Base-Base interactions energy: -350.220
where: short stacking energy: -169.741
Base-Backbone interact. energy: -0.499
local terms energy: -186.151231
where:
bonds (distance) C4'-P energy: -38.097
bonds (distance) P-C4' energy: -35.873
flat angles C4'-P-C4' energy: -36.101
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -50.949
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: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -569.241773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.241773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.241773 (E_RNA)
where:
Base-Base interactions energy: -387.813
where: short stacking energy: -183.294
Base-Backbone interact. energy: -0.028
local terms energy: -181.401411
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -32.452
flat angles C4'-P-C4' energy: -38.111
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -51.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -487.389845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.389845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.389845 (E_RNA)
where:
Base-Base interactions energy: -327.879
where: short stacking energy: -146.916
Base-Backbone interact. energy: -0.864
local terms energy: -158.647483
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -35.477
flat angles C4'-P-C4' energy: -37.042
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -37.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -492.724158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.724158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.724158 (E_RNA)
where:
Base-Base interactions energy: -325.898
where: short stacking energy: -161.505
Base-Backbone interact. energy: -1.224
local terms energy: -165.602200
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -31.484
flat angles C4'-P-C4' energy: -38.607
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -41.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -452.666662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.666662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.666662 (E_RNA)
where:
Base-Base interactions energy: -299.379
where: short stacking energy: -150.506
Base-Backbone interact. energy: -0.471
local terms energy: -152.816271
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -30.668
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -44.658
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: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -447.888171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.888171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.888171 (E_RNA)
where:
Base-Base interactions energy: -309.760
where: short stacking energy: -138.230
Base-Backbone interact. energy: -0.975
local terms energy: -137.152397
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -20.189
tors. eta vs tors. theta energy: -41.824
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: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -344.709587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.709587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.709587 (E_RNA)
where:
Base-Base interactions energy: -201.654
where: short stacking energy: -111.111
Base-Backbone interact. energy: -1.060
local terms energy: -141.995555
where:
bonds (distance) C4'-P energy: -31.924
bonds (distance) P-C4' energy: -27.452
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -184.670770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.670770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.670770 (E_RNA)
where:
Base-Base interactions energy: -84.542
where: short stacking energy: -70.130
Base-Backbone interact. energy: -0.607
local terms energy: -99.522173
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -11.795
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: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -155.622575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.622575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.622575 (E_RNA)
where:
Base-Base interactions energy: -64.112
where: short stacking energy: -60.383
Base-Backbone interact. energy: -0.207
local terms energy: -91.304070
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -592.266092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.266092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.266092 (E_RNA)
where:
Base-Base interactions energy: -408.622
where: short stacking energy: -186.269
Base-Backbone interact. energy: -0.017
local terms energy: -183.627096
where:
bonds (distance) C4'-P energy: -30.201
bonds (distance) P-C4' energy: -29.006
flat angles C4'-P-C4' energy: -39.889
flat angles P-C4'-P energy: -30.981
tors. eta vs tors. theta energy: -53.550
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: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -574.953327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.953327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.953327 (E_RNA)
where:
Base-Base interactions energy: -408.902
where: short stacking energy: -175.495
Base-Backbone interact. energy: -0.093
local terms energy: -165.958254
where:
bonds (distance) C4'-P energy: -25.623
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -36.440
flat angles P-C4'-P energy: -23.522
tors. eta vs tors. theta energy: -48.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -514.812084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.812084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.812084 (E_RNA)
where:
Base-Base interactions energy: -346.041
where: short stacking energy: -176.630
Base-Backbone interact. energy: -0.342
local terms energy: -168.429081
where:
bonds (distance) C4'-P energy: -29.471
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -25.849
tors. eta vs tors. theta energy: -47.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -486.969779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.969779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.969779 (E_RNA)
where:
Base-Base interactions energy: -328.206
where: short stacking energy: -149.876
Base-Backbone interact. energy: 0.103
local terms energy: -158.866057
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -34.175
flat angles P-C4'-P energy: -21.320
tors. eta vs tors. theta energy: -40.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -446.574122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.574122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.574122 (E_RNA)
where:
Base-Base interactions energy: -302.552
where: short stacking energy: -134.498
Base-Backbone interact. energy: -1.853
local terms energy: -142.169285
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -29.573
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -35.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -461.619159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.619159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.619159 (E_RNA)
where:
Base-Base interactions energy: -309.906
where: short stacking energy: -145.326
Base-Backbone interact. energy: -0.731
local terms energy: -150.981783
where:
bonds (distance) C4'-P energy: -30.709
bonds (distance) P-C4' energy: -26.419
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -39.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -457.271471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.271471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.271471 (E_RNA)
where:
Base-Base interactions energy: -309.017
where: short stacking energy: -142.227
Base-Backbone interact. energy: -0.334
local terms energy: -147.920280
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -27.801
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -40.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -336.849270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.849270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.849270 (E_RNA)
where:
Base-Base interactions energy: -205.080
where: short stacking energy: -105.664
Base-Backbone interact. energy: -0.789
local terms energy: -130.979748
where:
bonds (distance) C4'-P energy: -33.013
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -26.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -183.452992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.452992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.452992 (E_RNA)
where:
Base-Base interactions energy: -88.492
where: short stacking energy: -73.085
Base-Backbone interact. energy: 1.769
local terms energy: -96.729613
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: 0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -180.168528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.168528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.168528 (E_RNA)
where:
Base-Base interactions energy: -76.941
where: short stacking energy: -48.698
Base-Backbone interact. energy: -0.567
local terms energy: -102.660999
where:
bonds (distance) C4'-P energy: -30.803
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -2.842
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: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -591.230750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.230750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.230750 (E_RNA)
where:
Base-Base interactions energy: -414.913
where: short stacking energy: -196.374
Base-Backbone interact. energy: -0.145
local terms energy: -176.172167
where:
bonds (distance) C4'-P energy: -31.199
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -35.792
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -52.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -571.580742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.580742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.580742 (E_RNA)
where:
Base-Base interactions energy: -407.017
where: short stacking energy: -184.418
Base-Backbone interact. energy: -0.138
local terms energy: -164.425722
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -26.759
flat angles C4'-P-C4' energy: -38.414
flat angles P-C4'-P energy: -22.689
tors. eta vs tors. theta energy: -51.032
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: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -507.303387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.303387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.303387 (E_RNA)
where:
Base-Base interactions energy: -340.412
where: short stacking energy: -166.824
Base-Backbone interact. energy: -0.624
local terms energy: -166.267515
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -48.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -514.699695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.699695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.699695 (E_RNA)
where:
Base-Base interactions energy: -347.146
where: short stacking energy: -165.369
Base-Backbone interact. energy: 0.557
local terms energy: -168.111075
where:
bonds (distance) C4'-P energy: -30.617
bonds (distance) P-C4' energy: -32.355
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -45.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -465.796633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.796633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.796633 (E_RNA)
where:
Base-Base interactions energy: -318.505
where: short stacking energy: -147.812
Base-Backbone interact. energy: -2.005
local terms energy: -145.286839
where:
bonds (distance) C4'-P energy: -27.520
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -36.939
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: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -439.574359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.574359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.574359 (E_RNA)
where:
Base-Base interactions energy: -298.880
where: short stacking energy: -138.504
Base-Backbone interact. energy: -0.751
local terms energy: -139.943727
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -34.837
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -38.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -403.517866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.517866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.517866 (E_RNA)
where:
Base-Base interactions energy: -274.801
where: short stacking energy: -138.545
Base-Backbone interact. energy: -0.780
local terms energy: -127.937150
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -36.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -327.773135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.773135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.773135 (E_RNA)
where:
Base-Base interactions energy: -201.088
where: short stacking energy: -104.555
Base-Backbone interact. energy: -0.694
local terms energy: -125.990989
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -28.799
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -23.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -175.442170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.442170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.442170 (E_RNA)
where:
Base-Base interactions energy: -85.899
where: short stacking energy: -74.774
Base-Backbone interact. energy: 1.939
local terms energy: -91.481721
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -28.786
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -195.816956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.816956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.816956 (E_RNA)
where:
Base-Base interactions energy: -101.996
where: short stacking energy: -73.322
Base-Backbone interact. energy: -1.358
local terms energy: -92.463279
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -32.514
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: 0.829
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: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -590.258104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.258104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.258104 (E_RNA)
where:
Base-Base interactions energy: -406.895
where: short stacking energy: -182.981
Base-Backbone interact. energy: -0.350
local terms energy: -183.013143
where:
bonds (distance) C4'-P energy: -36.524
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -39.849
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: -51.015
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: 287
Temperature: 0.950000
Total energy: -577.972521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.972521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.972521 (E_RNA)
where:
Base-Base interactions energy: -407.297
where: short stacking energy: -187.480
Base-Backbone interact. energy: -0.003
local terms energy: -170.672406
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -35.524
flat angles P-C4'-P energy: -27.451
tors. eta vs tors. theta energy: -51.433
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: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -510.551208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.551208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.551208 (E_RNA)
where:
Base-Base interactions energy: -342.854
where: short stacking energy: -174.822
Base-Backbone interact. energy: -0.555
local terms energy: -167.141642
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -40.387
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -46.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -477.860515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.860515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.860515 (E_RNA)
where:
Base-Base interactions energy: -317.359
where: short stacking energy: -144.435
Base-Backbone interact. energy: -1.212
local terms energy: -159.289379
where:
bonds (distance) C4'-P energy: -28.806
bonds (distance) P-C4' energy: -36.365
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -47.951
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: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -484.658065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.658065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.658065 (E_RNA)
where:
Base-Base interactions energy: -319.043
where: short stacking energy: -146.386
Base-Backbone interact. energy: -0.254
local terms energy: -165.361578
where:
bonds (distance) C4'-P energy: -34.266
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -36.418
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -41.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -476.234437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.234437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.234437 (E_RNA)
where:
Base-Base interactions energy: -322.967
where: short stacking energy: -148.905
Base-Backbone interact. energy: 1.288
local terms energy: -154.555119
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -30.044
flat angles C4'-P-C4' energy: -34.123
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -41.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -393.909820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.909820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.909820 (E_RNA)
where:
Base-Base interactions energy: -260.441
where: short stacking energy: -137.069
Base-Backbone interact. energy: -0.235
local terms energy: -133.234112
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -30.001
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -33.459
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: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -339.450278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.450278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.450278 (E_RNA)
where:
Base-Base interactions energy: -214.090
where: short stacking energy: -99.934
Base-Backbone interact. energy: -0.410
local terms energy: -124.950029
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -29.390
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -24.253
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: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -164.033075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.033075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.033075 (E_RNA)
where:
Base-Base interactions energy: -80.123
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.234
local terms energy: -83.676673
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -10.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -183.801723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.801723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.801723 (E_RNA)
where:
Base-Base interactions energy: -89.638
where: short stacking energy: -69.351
Base-Backbone interact. energy: 0.132
local terms energy: -94.295612
where:
bonds (distance) C4'-P energy: -28.277
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -20.041
tors. eta vs tors. theta energy: -4.867
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: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -588.592726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.592726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.592726 (E_RNA)
where:
Base-Base interactions energy: -408.682
where: short stacking energy: -185.138
Base-Backbone interact. energy: -0.343
local terms energy: -179.567654
where:
bonds (distance) C4'-P energy: -33.616
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -37.563
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -53.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -577.907625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.907625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.907625 (E_RNA)
where:
Base-Base interactions energy: -406.552
where: short stacking energy: -192.018
Base-Backbone interact. energy: -0.180
local terms energy: -171.175715
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -30.272
flat angles C4'-P-C4' energy: -36.063
flat angles P-C4'-P energy: -23.944
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: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -519.803812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.803812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.803812 (E_RNA)
where:
Base-Base interactions energy: -352.982
where: short stacking energy: -167.700
Base-Backbone interact. energy: -0.152
local terms energy: -166.669586
where:
bonds (distance) C4'-P energy: -32.378
bonds (distance) P-C4' energy: -30.230
flat angles C4'-P-C4' energy: -35.226
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -45.887
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: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -494.648484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.648484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.648484 (E_RNA)
where:
Base-Base interactions energy: -330.090
where: short stacking energy: -158.564
Base-Backbone interact. energy: -1.174
local terms energy: -163.385420
where:
bonds (distance) C4'-P energy: -28.946
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -36.403
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -42.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -502.760585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.760585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.760585 (E_RNA)
where:
Base-Base interactions energy: -342.053
where: short stacking energy: -168.212
Base-Backbone interact. energy: -0.128
local terms energy: -160.580091
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -38.129
flat angles C4'-P-C4' energy: -31.717
flat angles P-C4'-P energy: -24.781
tors. eta vs tors. theta energy: -43.180
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: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -480.359651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.359651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.359651 (E_RNA)
where:
Base-Base interactions energy: -333.876
where: short stacking energy: -165.249
Base-Backbone interact. energy: -0.039
local terms energy: -146.444783
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -29.128
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -45.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -391.596701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.596701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.596701 (E_RNA)
where:
Base-Base interactions energy: -253.156
where: short stacking energy: -132.307
Base-Backbone interact. energy: -1.124
local terms energy: -137.316668
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -31.321
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: -33.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -349.022839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.022839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.022839 (E_RNA)
where:
Base-Base interactions energy: -230.427
where: short stacking energy: -120.776
Base-Backbone interact. energy: -1.485
local terms energy: -117.110935
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -27.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -171.978303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.978303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.978303 (E_RNA)
where:
Base-Base interactions energy: -69.743
where: short stacking energy: -52.013
Base-Backbone interact. energy: 1.689
local terms energy: -103.924745
where:
bonds (distance) C4'-P energy: -27.542
bonds (distance) P-C4' energy: -30.356
flat angles C4'-P-C4' energy: -26.853
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: 4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -175.186012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.186012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.186012 (E_RNA)
where:
Base-Base interactions energy: -67.796
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.263
local terms energy: -107.126736
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -29.702
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -11.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -590.557611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.557611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.557611 (E_RNA)
where:
Base-Base interactions energy: -411.740
where: short stacking energy: -184.018
Base-Backbone interact. energy: -2.008
local terms energy: -176.809473
where:
bonds (distance) C4'-P energy: -25.561
bonds (distance) P-C4' energy: -32.283
flat angles C4'-P-C4' energy: -35.864
flat angles P-C4'-P energy: -29.455
tors. eta vs tors. theta energy: -53.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -535.212979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.212979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.212979 (E_RNA)
where:
Base-Base interactions energy: -354.140
where: short stacking energy: -167.190
Base-Backbone interact. energy: -0.588
local terms energy: -180.485000
where:
bonds (distance) C4'-P energy: -35.848
bonds (distance) P-C4' energy: -35.938
flat angles C4'-P-C4' energy: -34.693
flat angles P-C4'-P energy: -27.467
tors. eta vs tors. theta energy: -46.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -564.093025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.093025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.093025 (E_RNA)
where:
Base-Base interactions energy: -391.957
where: short stacking energy: -166.875
Base-Backbone interact. energy: -2.130
local terms energy: -170.005711
where:
bonds (distance) C4'-P energy: -32.180
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -34.761
flat angles P-C4'-P energy: -26.090
tors. eta vs tors. theta energy: -47.543
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: 289
Temperature: 1.050000
Total energy: -509.190709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.190709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.190709 (E_RNA)
where:
Base-Base interactions energy: -346.598
where: short stacking energy: -159.105
Base-Backbone interact. energy: -0.310
local terms energy: -162.281993
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -30.498
flat angles C4'-P-C4' energy: -35.004
flat angles P-C4'-P energy: -29.896
tors. eta vs tors. theta energy: -41.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -476.404465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.404465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.404465 (E_RNA)
where:
Base-Base interactions energy: -321.086
where: short stacking energy: -163.530
Base-Backbone interact. energy: -0.696
local terms energy: -154.622383
where:
bonds (distance) C4'-P energy: -25.002
bonds (distance) P-C4' energy: -29.238
flat angles C4'-P-C4' energy: -33.576
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -40.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -472.367931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.367931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.367931 (E_RNA)
where:
Base-Base interactions energy: -313.348
where: short stacking energy: -147.800
Base-Backbone interact. energy: -2.287
local terms energy: -156.732854
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -36.239
flat angles C4'-P-C4' energy: -34.593
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -37.972
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: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -364.227337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.227337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.227337 (E_RNA)
where:
Base-Base interactions energy: -231.999
where: short stacking energy: -113.360
Base-Backbone interact. energy: -0.176
local terms energy: -132.052852
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -32.889
flat angles C4'-P-C4' energy: -30.234
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -30.332
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: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -360.796315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.796315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.796315 (E_RNA)
where:
Base-Base interactions energy: -233.696
where: short stacking energy: -116.286
Base-Backbone interact. energy: -0.318
local terms energy: -126.782121
where:
bonds (distance) C4'-P energy: -28.656
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -30.201
flat angles P-C4'-P energy: -19.144
tors. eta vs tors. theta energy: -28.103
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: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -197.932377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.932377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.932377 (E_RNA)
where:
Base-Base interactions energy: -88.630
where: short stacking energy: -57.268
Base-Backbone interact. energy: -1.714
local terms energy: -107.587737
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -28.230
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -155.329463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.329463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.329463 (E_RNA)
where:
Base-Base interactions energy: -55.742
where: short stacking energy: -45.507
Base-Backbone interact. energy: 0.496
local terms energy: -100.083316
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -30.090
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -3.386
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: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -590.645179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.645179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.645179 (E_RNA)
where:
Base-Base interactions energy: -405.013
where: short stacking energy: -175.334
Base-Backbone interact. energy: -0.758
local terms energy: -184.874568
where:
bonds (distance) C4'-P energy: -36.296
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -38.839
flat angles P-C4'-P energy: -27.666
tors. eta vs tors. theta energy: -49.962
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: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -527.378580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.378580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.378580 (E_RNA)
where:
Base-Base interactions energy: -364.021
where: short stacking energy: -174.796
Base-Backbone interact. energy: -1.253
local terms energy: -162.105552
where:
bonds (distance) C4'-P energy: -25.630
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -37.089
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: -48.007
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: 290
Temperature: 1.000000
Total energy: -565.081440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.081440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.081440 (E_RNA)
where:
Base-Base interactions energy: -398.654
where: short stacking energy: -176.287
Base-Backbone interact. energy: -0.095
local terms energy: -166.331880
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -35.487
flat angles P-C4'-P energy: -23.147
tors. eta vs tors. theta energy: -51.474
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: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -513.758863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.758863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.758863 (E_RNA)
where:
Base-Base interactions energy: -360.007
where: short stacking energy: -172.670
Base-Backbone interact. energy: -0.099
local terms energy: -153.652673
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -32.389
flat angles P-C4'-P energy: -22.689
tors. eta vs tors. theta energy: -44.264
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: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -472.686221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.686221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.686221 (E_RNA)
where:
Base-Base interactions energy: -317.901
where: short stacking energy: -146.080
Base-Backbone interact. energy: -1.261
local terms energy: -153.523605
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -34.382
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -39.946
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: 290
Temperature: 1.150000
Total energy: -476.337660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.337660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.337660 (E_RNA)
where:
Base-Base interactions energy: -322.074
where: short stacking energy: -151.056
Base-Backbone interact. energy: -0.354
local terms energy: -153.910080
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -35.733
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -39.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -347.288075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.288075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.288075 (E_RNA)
where:
Base-Base interactions energy: -213.721
where: short stacking energy: -122.921
Base-Backbone interact. energy: -0.443
local terms energy: -133.124332
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -29.230
flat angles C4'-P-C4' energy: -31.755
flat angles P-C4'-P energy: -22.019
tors. eta vs tors. theta energy: -28.754
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: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -364.967703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.967703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.967703 (E_RNA)
where:
Base-Base interactions energy: -223.118
where: short stacking energy: -119.228
Base-Backbone interact. energy: -0.531
local terms energy: -141.319286
where:
bonds (distance) C4'-P energy: -28.449
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -30.438
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -31.086
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: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -181.460700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.460700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.460700 (E_RNA)
where:
Base-Base interactions energy: -90.781
where: short stacking energy: -80.360
Base-Backbone interact. energy: -0.327
local terms energy: -90.351849
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -27.507
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -222.855370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.855370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.855370 (E_RNA)
where:
Base-Base interactions energy: -128.053
where: short stacking energy: -66.835
Base-Backbone interact. energy: 0.194
local terms energy: -94.996071
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -26.431
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -5.725
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: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -593.839587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.839587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.839587 (E_RNA)
where:
Base-Base interactions energy: -410.281
where: short stacking energy: -186.242
Base-Backbone interact. energy: -0.192
local terms energy: -183.366189
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -39.855
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -52.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -572.725081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.725081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.725081 (E_RNA)
where:
Base-Base interactions energy: -399.885
where: short stacking energy: -185.675
Base-Backbone interact. energy: -0.518
local terms energy: -172.321608
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -31.444
flat angles C4'-P-C4' energy: -35.398
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: -52.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -516.261737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.261737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.261737 (E_RNA)
where:
Base-Base interactions energy: -344.529
where: short stacking energy: -166.879
Base-Backbone interact. energy: -0.273
local terms energy: -171.459334
where:
bonds (distance) C4'-P energy: -29.683
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -38.653
flat angles P-C4'-P energy: -26.450
tors. eta vs tors. theta energy: -47.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -498.802329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.802329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.802329 (E_RNA)
where:
Base-Base interactions energy: -339.404
where: short stacking energy: -160.443
Base-Backbone interact. energy: -0.776
local terms energy: -158.621897
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -31.608
flat angles C4'-P-C4' energy: -37.458
flat angles P-C4'-P energy: -21.998
tors. eta vs tors. theta energy: -43.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -502.981193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.981193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.981193 (E_RNA)
where:
Base-Base interactions energy: -346.270
where: short stacking energy: -158.049
Base-Backbone interact. energy: -0.728
local terms energy: -155.983109
where:
bonds (distance) C4'-P energy: -30.611
bonds (distance) P-C4' energy: -31.985
flat angles C4'-P-C4' energy: -31.804
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -39.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -461.289015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.289015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.289015 (E_RNA)
where:
Base-Base interactions energy: -319.175
where: short stacking energy: -145.821
Base-Backbone interact. energy: 1.581
local terms energy: -143.694777
where:
bonds (distance) C4'-P energy: -24.249
bonds (distance) P-C4' energy: -31.092
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -23.132
tors. eta vs tors. theta energy: -36.725
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -359.416409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.416409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.416409 (E_RNA)
where:
Base-Base interactions energy: -229.623
where: short stacking energy: -124.784
Base-Backbone interact. energy: -0.811
local terms energy: -128.982785
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -30.166
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: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -359.158921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.158921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.158921 (E_RNA)
where:
Base-Base interactions energy: -238.805
where: short stacking energy: -128.893
Base-Backbone interact. energy: -0.898
local terms energy: -119.455867
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: -29.954
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: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -177.407547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.407547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.407547 (E_RNA)
where:
Base-Base interactions energy: -63.966
where: short stacking energy: -63.966
Base-Backbone interact. energy: -0.353
local terms energy: -113.088323
where:
bonds (distance) C4'-P energy: -28.619
bonds (distance) P-C4' energy: -34.041
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -171.129338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.129338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.129338 (E_RNA)
where:
Base-Base interactions energy: -62.507
where: short stacking energy: -58.394
Base-Backbone interact. energy: 0.885
local terms energy: -109.506885
where:
bonds (distance) C4'-P energy: -30.549
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -7.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -589.843183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.843183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.843183 (E_RNA)
where:
Base-Base interactions energy: -415.270
where: short stacking energy: -193.409
Base-Backbone interact. energy: -0.594
local terms energy: -173.979218
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -40.146
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: -48.820
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: 292
Temperature: 0.950000
Total energy: -571.896887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.896887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.896887 (E_RNA)
where:
Base-Base interactions energy: -389.259
where: short stacking energy: -178.607
Base-Backbone interact. energy: -0.288
local terms energy: -182.350536
where:
bonds (distance) C4'-P energy: -31.857
bonds (distance) P-C4' energy: -34.068
flat angles C4'-P-C4' energy: -34.786
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -50.993
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: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -524.164165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.164165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.164165 (E_RNA)
where:
Base-Base interactions energy: -365.245
where: short stacking energy: -173.464
Base-Backbone interact. energy: -0.383
local terms energy: -158.536101
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -36.285
flat angles P-C4'-P energy: -24.736
tors. eta vs tors. theta energy: -51.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -499.900585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.900585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.900585 (E_RNA)
where:
Base-Base interactions energy: -337.309
where: short stacking energy: -163.256
Base-Backbone interact. energy: -1.126
local terms energy: -161.465100
where:
bonds (distance) C4'-P energy: -31.576
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -34.203
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -38.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -494.002645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.002645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.002645 (E_RNA)
where:
Base-Base interactions energy: -336.874
where: short stacking energy: -162.677
Base-Backbone interact. energy: -0.102
local terms energy: -157.027086
where:
bonds (distance) C4'-P energy: -30.671
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -33.809
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -43.946
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: 292
Temperature: 1.150000
Total energy: -468.087522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.087522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.087522 (E_RNA)
where:
Base-Base interactions energy: -321.359
where: short stacking energy: -154.369
Base-Backbone interact. energy: -0.956
local terms energy: -145.772165
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -34.330
flat angles C4'-P-C4' energy: -29.928
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -44.842
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: 7, replica: 9
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -394.420660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.420660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.420660 (E_RNA)
where:
Base-Base interactions energy: -256.734
where: short stacking energy: -135.072
Base-Backbone interact. energy: -0.573
local terms energy: -137.114233
where:
bonds (distance) C4'-P energy: -28.094
bonds (distance) P-C4' energy: -24.961
flat angles C4'-P-C4' energy: -33.515
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -32.571
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: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -322.386069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.386069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.386069 (E_RNA)
where:
Base-Base interactions energy: -191.816
where: short stacking energy: -122.767
Base-Backbone interact. energy: 0.766
local terms energy: -131.335758
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -34.695
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -29.797
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: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -172.198915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.198915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.198915 (E_RNA)
where:
Base-Base interactions energy: -67.245
where: short stacking energy: -55.050
Base-Backbone interact. energy: 7.096
local terms energy: -112.050078
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -30.496
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -2.431
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: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -173.946189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.946189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.946189 (E_RNA)
where:
Base-Base interactions energy: -84.101
where: short stacking energy: -52.225
Base-Backbone interact. energy: -0.747
local terms energy: -89.098644
where:
bonds (distance) C4'-P energy: -33.555
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -588.704673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.704673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.704673 (E_RNA)
where:
Base-Base interactions energy: -408.441
where: short stacking energy: -180.343
Base-Backbone interact. energy: -0.292
local terms energy: -179.971134
where:
bonds (distance) C4'-P energy: -30.156
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -39.781
flat angles P-C4'-P energy: -31.194
tors. eta vs tors. theta energy: -50.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -574.748391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.748391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.748391 (E_RNA)
where:
Base-Base interactions energy: -393.455
where: short stacking energy: -180.369
Base-Backbone interact. energy: -0.838
local terms energy: -180.456267
where:
bonds (distance) C4'-P energy: -32.000
bonds (distance) P-C4' energy: -32.913
flat angles C4'-P-C4' energy: -38.433
flat angles P-C4'-P energy: -27.198
tors. eta vs tors. theta energy: -49.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -542.800281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.800281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.800281 (E_RNA)
where:
Base-Base interactions energy: -360.677
where: short stacking energy: -178.259
Base-Backbone interact. energy: -1.706
local terms energy: -180.416890
where:
bonds (distance) C4'-P energy: -31.749
bonds (distance) P-C4' energy: -32.164
flat angles C4'-P-C4' energy: -38.064
flat angles P-C4'-P energy: -26.975
tors. eta vs tors. theta energy: -51.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -508.367653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.367653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.367653 (E_RNA)
where:
Base-Base interactions energy: -350.562
where: short stacking energy: -162.490
Base-Backbone interact. energy: 1.571
local terms energy: -159.377354
where:
bonds (distance) C4'-P energy: -31.697
bonds (distance) P-C4' energy: -31.362
flat angles C4'-P-C4' energy: -32.055
flat angles P-C4'-P energy: -20.473
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: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -476.172339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.172339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.172339 (E_RNA)
where:
Base-Base interactions energy: -326.221
where: short stacking energy: -152.163
Base-Backbone interact. energy: -0.217
local terms energy: -149.734468
where:
bonds (distance) C4'-P energy: -26.882
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -25.966
tors. eta vs tors. theta energy: -40.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -491.747041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.747041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.747041 (E_RNA)
where:
Base-Base interactions energy: -338.309
where: short stacking energy: -152.520
Base-Backbone interact. energy: -0.944
local terms energy: -152.494353
where:
bonds (distance) C4'-P energy: -28.120
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -30.338
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -41.535
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: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -378.057526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.057526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.057526 (E_RNA)
where:
Base-Base interactions energy: -241.504
where: short stacking energy: -120.404
Base-Backbone interact. energy: -1.375
local terms energy: -135.178345
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -27.558
flat angles C4'-P-C4' energy: -31.908
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -29.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -331.722702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.722702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.722702 (E_RNA)
where:
Base-Base interactions energy: -205.608
where: short stacking energy: -106.812
Base-Backbone interact. energy: -0.414
local terms energy: -125.700263
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -29.716
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -18.213
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: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -178.379269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.379269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.379269 (E_RNA)
where:
Base-Base interactions energy: -72.386
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.475
local terms energy: -105.518645
where:
bonds (distance) C4'-P energy: -30.466
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -19.276
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: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -163.465465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.465465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.465465 (E_RNA)
where:
Base-Base interactions energy: -67.791
where: short stacking energy: -64.869
Base-Backbone interact. energy: 5.543
local terms energy: -101.217359
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -29.158
flat angles C4'-P-C4' energy: -24.457
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -595.077865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.077865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.077865 (E_RNA)
where:
Base-Base interactions energy: -416.015
where: short stacking energy: -196.537
Base-Backbone interact. energy: -0.033
local terms energy: -179.030600
where:
bonds (distance) C4'-P energy: -31.606
bonds (distance) P-C4' energy: -32.053
flat angles C4'-P-C4' energy: -34.723
flat angles P-C4'-P energy: -28.569
tors. eta vs tors. theta energy: -52.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -578.726251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.726251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.726251 (E_RNA)
where:
Base-Base interactions energy: -398.562
where: short stacking energy: -170.290
Base-Backbone interact. energy: -1.286
local terms energy: -178.878157
where:
bonds (distance) C4'-P energy: -28.945
bonds (distance) P-C4' energy: -35.440
flat angles C4'-P-C4' energy: -40.354
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -48.977
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: 294
Temperature: 1.000000
Total energy: -531.944846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.944846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.944846 (E_RNA)
where:
Base-Base interactions energy: -361.263
where: short stacking energy: -171.558
Base-Backbone interact. energy: -0.252
local terms energy: -170.429996
where:
bonds (distance) C4'-P energy: -33.859
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -37.948
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -47.583
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: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -530.011667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.011667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.011667 (E_RNA)
where:
Base-Base interactions energy: -362.728
where: short stacking energy: -166.231
Base-Backbone interact. energy: 0.803
local terms energy: -168.087263
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -33.075
flat angles C4'-P-C4' energy: -35.488
flat angles P-C4'-P energy: -26.398
tors. eta vs tors. theta energy: -47.620
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: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -495.844283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.844283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.844283 (E_RNA)
where:
Base-Base interactions energy: -334.931
where: short stacking energy: -152.415
Base-Backbone interact. energy: -3.176
local terms energy: -157.737574
where:
bonds (distance) C4'-P energy: -32.704
bonds (distance) P-C4' energy: -28.334
flat angles C4'-P-C4' energy: -28.878
flat angles P-C4'-P energy: -28.909
tors. eta vs tors. theta energy: -38.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -475.218759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.218759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.218759 (E_RNA)
where:
Base-Base interactions energy: -308.596
where: short stacking energy: -141.762
Base-Backbone interact. energy: -0.971
local terms energy: -165.652113
where:
bonds (distance) C4'-P energy: -33.543
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -36.682
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -42.544
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: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -369.690902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.690902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.690902 (E_RNA)
where:
Base-Base interactions energy: -235.230
where: short stacking energy: -115.244
Base-Backbone interact. energy: -1.903
local terms energy: -132.557173
where:
bonds (distance) C4'-P energy: -22.642
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -33.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -341.770615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.770615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.770615 (E_RNA)
where:
Base-Base interactions energy: -220.168
where: short stacking energy: -111.343
Base-Backbone interact. energy: -0.677
local terms energy: -120.925439
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -19.454
tors. eta vs tors. theta energy: -26.944
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: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -194.621898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.621898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.621898 (E_RNA)
where:
Base-Base interactions energy: -85.355
where: short stacking energy: -77.094
Base-Backbone interact. energy: -1.578
local terms energy: -107.688896
where:
bonds (distance) C4'-P energy: -33.397
bonds (distance) P-C4' energy: -28.579
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -4.890
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: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -172.036952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.036952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.036952 (E_RNA)
where:
Base-Base interactions energy: -65.355
where: short stacking energy: -51.645
Base-Backbone interact. energy: -0.710
local terms energy: -105.972376
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -588.867878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.867878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.867878 (E_RNA)
where:
Base-Base interactions energy: -403.970
where: short stacking energy: -185.535
Base-Backbone interact. energy: -0.874
local terms energy: -184.023508
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -32.091
flat angles C4'-P-C4' energy: -39.471
flat angles P-C4'-P energy: -26.134
tors. eta vs tors. theta energy: -53.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -579.240016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.240016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.240016 (E_RNA)
where:
Base-Base interactions energy: -401.940
where: short stacking energy: -184.610
Base-Backbone interact. energy: -0.180
local terms energy: -177.119847
where:
bonds (distance) C4'-P energy: -36.891
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -21.974
tors. eta vs tors. theta energy: -52.868
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: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -508.358516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.358516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.358516 (E_RNA)
where:
Base-Base interactions energy: -343.769
where: short stacking energy: -176.691
Base-Backbone interact. energy: -0.133
local terms energy: -164.456254
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -37.614
flat angles C4'-P-C4' energy: -37.187
flat angles P-C4'-P energy: -22.380
tors. eta vs tors. theta energy: -44.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -502.636513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.636513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.636513 (E_RNA)
where:
Base-Base interactions energy: -336.282
where: short stacking energy: -149.490
Base-Backbone interact. energy: 1.262
local terms energy: -167.617148
where:
bonds (distance) C4'-P energy: -32.434
bonds (distance) P-C4' energy: -28.876
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -27.624
tors. eta vs tors. theta energy: -47.706
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: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -503.061459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.061459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.061459 (E_RNA)
where:
Base-Base interactions energy: -346.077
where: short stacking energy: -158.831
Base-Backbone interact. energy: -1.615
local terms energy: -155.370037
where:
bonds (distance) C4'-P energy: -26.694
bonds (distance) P-C4' energy: -32.120
flat angles C4'-P-C4' energy: -29.387
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -47.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -433.603432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.603432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.603432 (E_RNA)
where:
Base-Base interactions energy: -289.711
where: short stacking energy: -135.172
Base-Backbone interact. energy: -0.394
local terms energy: -143.497964
where:
bonds (distance) C4'-P energy: -29.828
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -32.329
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -35.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -404.000482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.000482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.000482 (E_RNA)
where:
Base-Base interactions energy: -271.871
where: short stacking energy: -124.880
Base-Backbone interact. energy: -0.718
local terms energy: -131.411630
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -28.524
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -32.256
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: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -339.124047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.124047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.124047 (E_RNA)
where:
Base-Base interactions energy: -201.372
where: short stacking energy: -116.191
Base-Backbone interact. energy: -0.114
local terms energy: -137.638081
where:
bonds (distance) C4'-P energy: -26.030
bonds (distance) P-C4' energy: -29.674
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -24.922
tors. eta vs tors. theta energy: -33.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -171.728278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.728278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.728278 (E_RNA)
where:
Base-Base interactions energy: -72.417
where: short stacking energy: -62.693
Base-Backbone interact. energy: 7.051
local terms energy: -106.362628
where:
bonds (distance) C4'-P energy: -29.001
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -11.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -176.523621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.523621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.523621 (E_RNA)
where:
Base-Base interactions energy: -83.540
where: short stacking energy: -57.997
Base-Backbone interact. energy: 1.173
local terms energy: -94.156265
where:
bonds (distance) C4'-P energy: -27.885
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -2.347
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: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -584.762488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.762488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.762488 (E_RNA)
where:
Base-Base interactions energy: -396.810
where: short stacking energy: -177.960
Base-Backbone interact. energy: -0.665
local terms energy: -187.287482
where:
bonds (distance) C4'-P energy: -32.896
bonds (distance) P-C4' energy: -36.776
flat angles C4'-P-C4' energy: -34.947
flat angles P-C4'-P energy: -29.267
tors. eta vs tors. theta energy: -53.402
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: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -582.491131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.491131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.491131 (E_RNA)
where:
Base-Base interactions energy: -402.408
where: short stacking energy: -181.809
Base-Backbone interact. energy: -0.580
local terms energy: -179.502559
where:
bonds (distance) C4'-P energy: -33.787
bonds (distance) P-C4' energy: -37.826
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -50.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -526.618162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.618162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.618162 (E_RNA)
where:
Base-Base interactions energy: -359.999
where: short stacking energy: -173.720
Base-Backbone interact. energy: -0.714
local terms energy: -165.904572
where:
bonds (distance) C4'-P energy: -27.436
bonds (distance) P-C4' energy: -33.697
flat angles C4'-P-C4' energy: -35.118
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -48.752
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: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -493.845322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.845322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.845322 (E_RNA)
where:
Base-Base interactions energy: -344.658
where: short stacking energy: -154.874
Base-Backbone interact. energy: -0.914
local terms energy: -148.272945
where:
bonds (distance) C4'-P energy: -33.133
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -32.026
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -42.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -466.887790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.887790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.887790 (E_RNA)
where:
Base-Base interactions energy: -315.183
where: short stacking energy: -160.451
Base-Backbone interact. energy: -0.548
local terms energy: -151.156785
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -26.239
flat angles C4'-P-C4' energy: -34.282
flat angles P-C4'-P energy: -18.047
tors. eta vs tors. theta energy: -43.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -481.055367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.055367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.055367 (E_RNA)
where:
Base-Base interactions energy: -314.577
where: short stacking energy: -148.992
Base-Backbone interact. energy: -0.840
local terms energy: -165.638032
where:
bonds (distance) C4'-P energy: -30.049
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -35.910
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -45.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -439.104921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.104921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.104921 (E_RNA)
where:
Base-Base interactions energy: -295.085
where: short stacking energy: -154.407
Base-Backbone interact. energy: -0.087
local terms energy: -143.933168
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -31.097
flat angles P-C4'-P energy: -26.703
tors. eta vs tors. theta energy: -37.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -326.806117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.806117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.806117 (E_RNA)
where:
Base-Base interactions energy: -196.997
where: short stacking energy: -97.833
Base-Backbone interact. energy: -0.883
local terms energy: -128.926433
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -22.217
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: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -234.464621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.464621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.464621 (E_RNA)
where:
Base-Base interactions energy: -133.474
where: short stacking energy: -78.238
Base-Backbone interact. energy: -0.881
local terms energy: -100.109978
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -17.526
tors. eta vs tors. theta energy: -13.799
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: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -155.759871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.759871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.759871 (E_RNA)
where:
Base-Base interactions energy: -61.140
where: short stacking energy: -54.304
Base-Backbone interact. energy: -0.362
local terms energy: -94.257645
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -26.954
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -592.063603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.063603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.063603 (E_RNA)
where:
Base-Base interactions energy: -405.648
where: short stacking energy: -184.207
Base-Backbone interact. energy: -0.339
local terms energy: -186.076086
where:
bonds (distance) C4'-P energy: -35.910
bonds (distance) P-C4' energy: -34.228
flat angles C4'-P-C4' energy: -35.295
flat angles P-C4'-P energy: -29.249
tors. eta vs tors. theta energy: -51.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -582.528770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.528770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.528770 (E_RNA)
where:
Base-Base interactions energy: -403.047
where: short stacking energy: -184.780
Base-Backbone interact. energy: -0.459
local terms energy: -179.022184
where:
bonds (distance) C4'-P energy: -32.164
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -24.651
tors. eta vs tors. theta energy: -53.631
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: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -526.487650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.487650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.487650 (E_RNA)
where:
Base-Base interactions energy: -360.570
where: short stacking energy: -172.611
Base-Backbone interact. energy: -0.276
local terms energy: -165.640829
where:
bonds (distance) C4'-P energy: -26.534
bonds (distance) P-C4' energy: -30.789
flat angles C4'-P-C4' energy: -33.979
flat angles P-C4'-P energy: -26.069
tors. eta vs tors. theta energy: -48.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -475.017451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.017451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.017451 (E_RNA)
where:
Base-Base interactions energy: -323.436
where: short stacking energy: -146.436
Base-Backbone interact. energy: -0.489
local terms energy: -151.092339
where:
bonds (distance) C4'-P energy: -31.500
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -33.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -473.500808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.500808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.500808 (E_RNA)
where:
Base-Base interactions energy: -331.162
where: short stacking energy: -146.127
Base-Backbone interact. energy: -1.015
local terms energy: -141.323226
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -42.544
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: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -487.965402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.965402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.965402 (E_RNA)
where:
Base-Base interactions energy: -322.873
where: short stacking energy: -146.149
Base-Backbone interact. energy: -1.428
local terms energy: -163.665072
where:
bonds (distance) C4'-P energy: -31.431
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -31.351
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -40.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -425.075993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.075993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.075993 (E_RNA)
where:
Base-Base interactions energy: -265.572
where: short stacking energy: -135.273
Base-Backbone interact. energy: -1.570
local terms energy: -157.933541
where:
bonds (distance) C4'-P energy: -31.501
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -29.031
flat angles P-C4'-P energy: -27.376
tors. eta vs tors. theta energy: -42.266
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: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -348.576801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.576801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.576801 (E_RNA)
where:
Base-Base interactions energy: -224.067
where: short stacking energy: -123.987
Base-Backbone interact. energy: 0.313
local terms energy: -124.823349
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -29.019
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -28.917
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: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -290.115428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.115428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.115428 (E_RNA)
where:
Base-Base interactions energy: -163.233
where: short stacking energy: -85.377
Base-Backbone interact. energy: 0.388
local terms energy: -127.270517
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -35.782
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -20.074
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: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -153.854868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.854868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.854868 (E_RNA)
where:
Base-Base interactions energy: -75.836
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.889
local terms energy: -77.129583
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -590.741538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.741538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.741538 (E_RNA)
where:
Base-Base interactions energy: -412.914
where: short stacking energy: -184.204
Base-Backbone interact. energy: -1.268
local terms energy: -176.559452
where:
bonds (distance) C4'-P energy: -33.406
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -36.791
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -48.799
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: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -584.722906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.722906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.722906 (E_RNA)
where:
Base-Base interactions energy: -408.146
where: short stacking energy: -182.615
Base-Backbone interact. energy: -0.628
local terms energy: -175.948910
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -26.573
tors. eta vs tors. theta energy: -53.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -548.042853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.042853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.042853 (E_RNA)
where:
Base-Base interactions energy: -375.047
where: short stacking energy: -179.213
Base-Backbone interact. energy: -0.561
local terms energy: -172.435427
where:
bonds (distance) C4'-P energy: -33.078
bonds (distance) P-C4' energy: -29.157
flat angles C4'-P-C4' energy: -39.104
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -52.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -503.771699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.771699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.771699 (E_RNA)
where:
Base-Base interactions energy: -334.905
where: short stacking energy: -148.381
Base-Backbone interact. energy: -0.084
local terms energy: -168.782303
where:
bonds (distance) C4'-P energy: -34.678
bonds (distance) P-C4' energy: -31.109
flat angles C4'-P-C4' energy: -30.121
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: -48.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -482.631638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.631638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.631638 (E_RNA)
where:
Base-Base interactions energy: -322.760
where: short stacking energy: -155.145
Base-Backbone interact. energy: -0.121
local terms energy: -159.750647
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -22.378
tors. eta vs tors. theta energy: -43.449
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: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -455.852198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.852198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.852198 (E_RNA)
where:
Base-Base interactions energy: -304.790
where: short stacking energy: -157.683
Base-Backbone interact. energy: -0.175
local terms energy: -150.887567
where:
bonds (distance) C4'-P energy: -32.378
bonds (distance) P-C4' energy: -30.240
flat angles C4'-P-C4' energy: -33.715
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -37.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -433.391005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.391005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.391005 (E_RNA)
where:
Base-Base interactions energy: -273.624
where: short stacking energy: -129.505
Base-Backbone interact. energy: -0.257
local terms energy: -159.510242
where:
bonds (distance) C4'-P energy: -30.940
bonds (distance) P-C4' energy: -33.377
flat angles C4'-P-C4' energy: -31.686
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -41.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -334.369302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.369302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.369302 (E_RNA)
where:
Base-Base interactions energy: -207.582
where: short stacking energy: -117.048
Base-Backbone interact. energy: -0.747
local terms energy: -126.040769
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -36.350
flat angles C4'-P-C4' energy: -33.549
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -21.680
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: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -299.930537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.930537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.930537 (E_RNA)
where:
Base-Base interactions energy: -171.479
where: short stacking energy: -93.448
Base-Backbone interact. energy: -0.176
local terms energy: -128.275983
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -29.520
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -28.486
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: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -144.961019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.961019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.961019 (E_RNA)
where:
Base-Base interactions energy: -50.837
where: short stacking energy: -45.870
Base-Backbone interact. energy: -0.773
local terms energy: -93.351147
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -31.210
flat angles C4'-P-C4' energy: -27.430
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: 4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -585.947165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.947165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.947165 (E_RNA)
where:
Base-Base interactions energy: -404.879
where: short stacking energy: -174.029
Base-Backbone interact. energy: 0.161
local terms energy: -181.228498
where:
bonds (distance) C4'-P energy: -32.571
bonds (distance) P-C4' energy: -33.933
flat angles C4'-P-C4' energy: -38.847
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -50.445
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: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -570.854027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.854027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.854027 (E_RNA)
where:
Base-Base interactions energy: -394.537
where: short stacking energy: -172.196
Base-Backbone interact. energy: -0.566
local terms energy: -175.750782
where:
bonds (distance) C4'-P energy: -29.783
bonds (distance) P-C4' energy: -33.552
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -26.748
tors. eta vs tors. theta energy: -51.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -531.782887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.782887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.782887 (E_RNA)
where:
Base-Base interactions energy: -357.011
where: short stacking energy: -176.209
Base-Backbone interact. energy: -1.035
local terms energy: -173.737307
where:
bonds (distance) C4'-P energy: -27.481
bonds (distance) P-C4' energy: -29.693
flat angles C4'-P-C4' energy: -36.758
flat angles P-C4'-P energy: -29.351
tors. eta vs tors. theta energy: -50.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -495.166660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.166660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.166660 (E_RNA)
where:
Base-Base interactions energy: -331.189
where: short stacking energy: -155.812
Base-Backbone interact. energy: 0.177
local terms energy: -164.153962
where:
bonds (distance) C4'-P energy: -32.072
bonds (distance) P-C4' energy: -31.499
flat angles C4'-P-C4' energy: -36.150
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -42.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -493.231226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.231226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.231226 (E_RNA)
where:
Base-Base interactions energy: -331.045
where: short stacking energy: -147.962
Base-Backbone interact. energy: -0.299
local terms energy: -161.887906
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -30.153
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -21.816
tors. eta vs tors. theta energy: -46.449
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: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -435.180237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.180237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.180237 (E_RNA)
where:
Base-Base interactions energy: -283.703
where: short stacking energy: -142.813
Base-Backbone interact. energy: -0.347
local terms energy: -151.130386
where:
bonds (distance) C4'-P energy: -27.959
bonds (distance) P-C4' energy: -30.916
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -18.630
tors. eta vs tors. theta energy: -39.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -402.151615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.151615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.151615 (E_RNA)
where:
Base-Base interactions energy: -273.770
where: short stacking energy: -112.967
Base-Backbone interact. energy: 0.090
local terms energy: -128.471964
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -29.029
flat angles C4'-P-C4' energy: -26.873
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -26.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -303.147366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.147366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.147366 (E_RNA)
where:
Base-Base interactions energy: -192.597
where: short stacking energy: -98.988
Base-Backbone interact. energy: 0.098
local terms energy: -110.648043
where:
bonds (distance) C4'-P energy: -22.497
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -17.775
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: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -253.349492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.349492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.349492 (E_RNA)
where:
Base-Base interactions energy: -148.312
where: short stacking energy: -79.088
Base-Backbone interact. energy: 1.075
local terms energy: -106.112599
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -29.168
flat angles C4'-P-C4' energy: -24.263
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -173.027683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.027683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.027683 (E_RNA)
where:
Base-Base interactions energy: -65.891
where: short stacking energy: -58.951
Base-Backbone interact. energy: -0.394
local terms energy: -106.743258
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -26.246
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -8.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -587.319955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.319955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.319955 (E_RNA)
where:
Base-Base interactions energy: -401.466
where: short stacking energy: -175.881
Base-Backbone interact. energy: -0.059
local terms energy: -185.794643
where:
bonds (distance) C4'-P energy: -34.549
bonds (distance) P-C4' energy: -36.636
flat angles C4'-P-C4' energy: -39.824
flat angles P-C4'-P energy: -23.799
tors. eta vs tors. theta energy: -50.985
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: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -575.677070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.677070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.677070 (E_RNA)
where:
Base-Base interactions energy: -402.315
where: short stacking energy: -177.974
Base-Backbone interact. energy: -0.088
local terms energy: -173.273316
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -31.383
flat angles C4'-P-C4' energy: -38.095
flat angles P-C4'-P energy: -28.413
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: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -520.275686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.275686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.275686 (E_RNA)
where:
Base-Base interactions energy: -365.883
where: short stacking energy: -158.482
Base-Backbone interact. energy: -0.430
local terms energy: -153.961836
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -43.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -504.171808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.171808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.171808 (E_RNA)
where:
Base-Base interactions energy: -327.353
where: short stacking energy: -165.017
Base-Backbone interact. energy: -0.807
local terms energy: -176.012442
where:
bonds (distance) C4'-P energy: -35.208
bonds (distance) P-C4' energy: -32.476
flat angles C4'-P-C4' energy: -37.342
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: -45.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -441.354379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.354379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.354379 (E_RNA)
where:
Base-Base interactions energy: -290.031
where: short stacking energy: -145.930
Base-Backbone interact. energy: -1.104
local terms energy: -150.218915
where:
bonds (distance) C4'-P energy: -29.940
bonds (distance) P-C4' energy: -26.594
flat angles C4'-P-C4' energy: -33.043
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: -38.789
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: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -490.254487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.254487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.254487 (E_RNA)
where:
Base-Base interactions energy: -332.252
where: short stacking energy: -163.621
Base-Backbone interact. energy: -0.226
local terms energy: -157.776433
where:
bonds (distance) C4'-P energy: -25.353
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -35.297
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -47.281
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: 300
Temperature: 1.200000
Total energy: -411.910645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.910645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.910645 (E_RNA)
where:
Base-Base interactions energy: -268.594
where: short stacking energy: -127.642
Base-Backbone interact. energy: -1.387
local terms energy: -141.930038
where:
bonds (distance) C4'-P energy: -26.303
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -31.297
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -36.631
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: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -340.777386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.777386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.777386 (E_RNA)
where:
Base-Base interactions energy: -223.600
where: short stacking energy: -109.968
Base-Backbone interact. energy: -0.399
local terms energy: -116.778324
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -23.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -226.391244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.391244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.391244 (E_RNA)
where:
Base-Base interactions energy: -121.063
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.374
local terms energy: -104.954290
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -169.686703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.686703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.686703 (E_RNA)
where:
Base-Base interactions energy: -62.999
where: short stacking energy: -62.999
Base-Backbone interact. energy: -0.999
local terms energy: -105.689289
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -5.597
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: 301
Temperature: 0.900000
Total energy: -592.383356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.383356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.383356 (E_RNA)
where:
Base-Base interactions energy: -406.599
where: short stacking energy: -183.525
Base-Backbone interact. energy: -2.851
local terms energy: -182.932838
where:
bonds (distance) C4'-P energy: -31.265
bonds (distance) P-C4' energy: -35.229
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -30.225
tors. eta vs tors. theta energy: -53.253
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: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -569.991708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.991708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.991708 (E_RNA)
where:
Base-Base interactions energy: -400.549
where: short stacking energy: -174.012
Base-Backbone interact. energy: -0.134
local terms energy: -169.308227
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -35.861
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -47.903
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: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -541.288446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.288446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.288446 (E_RNA)
where:
Base-Base interactions energy: -378.554
where: short stacking energy: -167.754
Base-Backbone interact. energy: -0.881
local terms energy: -161.853630
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -37.132
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: -47.148
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: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -509.841653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.841653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.841653 (E_RNA)
where:
Base-Base interactions energy: -348.857
where: short stacking energy: -171.672
Base-Backbone interact. energy: -0.211
local terms energy: -160.773319
where:
bonds (distance) C4'-P energy: -28.484
bonds (distance) P-C4' energy: -27.644
flat angles C4'-P-C4' energy: -35.185
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -46.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -439.703383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.703383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.703383 (E_RNA)
where:
Base-Base interactions energy: -286.114
where: short stacking energy: -143.799
Base-Backbone interact. energy: -1.551
local terms energy: -152.037944
where:
bonds (distance) C4'-P energy: -32.228
bonds (distance) P-C4' energy: -30.092
flat angles C4'-P-C4' energy: -32.296
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: -35.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -482.684743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.684743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.684743 (E_RNA)
where:
Base-Base interactions energy: -339.839
where: short stacking energy: -139.849
Base-Backbone interact. energy: -0.520
local terms energy: -142.325704
where:
bonds (distance) C4'-P energy: -27.665
bonds (distance) P-C4' energy: -28.017
flat angles C4'-P-C4' energy: -31.868
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -34.693
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: 301
Temperature: 1.200000
Total energy: -364.075145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.075145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.075145 (E_RNA)
where:
Base-Base interactions energy: -221.583
where: short stacking energy: -115.281
Base-Backbone interact. energy: -1.119
local terms energy: -141.372755
where:
bonds (distance) C4'-P energy: -30.520
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -31.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -293.693161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.693161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.693161 (E_RNA)
where:
Base-Base interactions energy: -172.971
where: short stacking energy: -81.185
Base-Backbone interact. energy: -0.920
local terms energy: -119.802179
where:
bonds (distance) C4'-P energy: -31.978
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -27.069
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -18.172
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: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -267.405167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.405167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.405167 (E_RNA)
where:
Base-Base interactions energy: -142.756
where: short stacking energy: -66.629
Base-Backbone interact. energy: 1.148
local terms energy: -125.797857
where:
bonds (distance) C4'-P energy: -29.532
bonds (distance) P-C4' energy: -30.160
flat angles C4'-P-C4' energy: -29.518
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -173.758363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.758363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.758363 (E_RNA)
where:
Base-Base interactions energy: -68.652
where: short stacking energy: -62.707
Base-Backbone interact. energy: 0.116
local terms energy: -105.222087
where:
bonds (distance) C4'-P energy: -27.353
bonds (distance) P-C4' energy: -28.866
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -574.400214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.400214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.400214 (E_RNA)
where:
Base-Base interactions energy: -402.433
where: short stacking energy: -174.262
Base-Backbone interact. energy: -0.620
local terms energy: -171.347327
where:
bonds (distance) C4'-P energy: -27.315
bonds (distance) P-C4' energy: -34.575
flat angles C4'-P-C4' energy: -32.750
flat angles P-C4'-P energy: -30.074
tors. eta vs tors. theta energy: -46.633
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: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -577.160771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.160771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.160771 (E_RNA)
where:
Base-Base interactions energy: -400.514
where: short stacking energy: -180.418
Base-Backbone interact. energy: -0.080
local terms energy: -176.567148
where:
bonds (distance) C4'-P energy: -29.792
bonds (distance) P-C4' energy: -32.226
flat angles C4'-P-C4' energy: -38.422
flat angles P-C4'-P energy: -25.706
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: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -526.434997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.434997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.434997 (E_RNA)
where:
Base-Base interactions energy: -339.821
where: short stacking energy: -166.014
Base-Backbone interact. energy: -0.872
local terms energy: -185.742282
where:
bonds (distance) C4'-P energy: -33.568
bonds (distance) P-C4' energy: -32.131
flat angles C4'-P-C4' energy: -38.351
flat angles P-C4'-P energy: -26.946
tors. eta vs tors. theta energy: -54.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -527.774948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.774948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.774948 (E_RNA)
where:
Base-Base interactions energy: -377.873
where: short stacking energy: -176.520
Base-Backbone interact. energy: -0.379
local terms energy: -149.523044
where:
bonds (distance) C4'-P energy: -32.963
bonds (distance) P-C4' energy: -26.766
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -44.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -482.095270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.095270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.095270 (E_RNA)
where:
Base-Base interactions energy: -317.275
where: short stacking energy: -156.544
Base-Backbone interact. energy: -0.127
local terms energy: -164.693249
where:
bonds (distance) C4'-P energy: -28.447
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -35.852
flat angles P-C4'-P energy: -22.443
tors. eta vs tors. theta energy: -47.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -411.900813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.900813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.900813 (E_RNA)
where:
Base-Base interactions energy: -249.960
where: short stacking energy: -130.706
Base-Backbone interact. energy: -0.688
local terms energy: -161.252578
where:
bonds (distance) C4'-P energy: -32.906
bonds (distance) P-C4' energy: -37.674
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -25.513
tors. eta vs tors. theta energy: -34.025
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: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -420.980956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.980956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.980956 (E_RNA)
where:
Base-Base interactions energy: -296.853
where: short stacking energy: -128.149
Base-Backbone interact. energy: -1.359
local terms energy: -122.768136
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -32.298
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: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -344.427801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.427801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.427801 (E_RNA)
where:
Base-Base interactions energy: -204.059
where: short stacking energy: -114.770
Base-Backbone interact. energy: -0.671
local terms energy: -139.698098
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -32.833
flat angles C4'-P-C4' energy: -29.698
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -31.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -263.731637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.731637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.731637 (E_RNA)
where:
Base-Base interactions energy: -146.464
where: short stacking energy: -89.591
Base-Backbone interact. energy: 0.608
local terms energy: -117.876071
where:
bonds (distance) C4'-P energy: -30.657
bonds (distance) P-C4' energy: -29.185
flat angles C4'-P-C4' energy: -28.331
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -13.459
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: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -152.372770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.372770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.372770 (E_RNA)
where:
Base-Base interactions energy: -60.896
where: short stacking energy: -56.856
Base-Backbone interact. energy: 0.210
local terms energy: -91.686668
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -28.093
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: 1.657
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: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -570.764054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.764054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.764054 (E_RNA)
where:
Base-Base interactions energy: -392.640
where: short stacking energy: -179.209
Base-Backbone interact. energy: -0.347
local terms energy: -177.777585
where:
bonds (distance) C4'-P energy: -31.728
bonds (distance) P-C4' energy: -31.557
flat angles C4'-P-C4' energy: -37.058
flat angles P-C4'-P energy: -27.298
tors. eta vs tors. theta energy: -50.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -585.656921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.656921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.656921 (E_RNA)
where:
Base-Base interactions energy: -415.074
where: short stacking energy: -183.912
Base-Backbone interact. energy: 0.054
local terms energy: -170.636379
where:
bonds (distance) C4'-P energy: -27.535
bonds (distance) P-C4' energy: -26.891
flat angles C4'-P-C4' energy: -38.021
flat angles P-C4'-P energy: -29.923
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: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -514.426375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.426375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.426375 (E_RNA)
where:
Base-Base interactions energy: -344.837
where: short stacking energy: -170.742
Base-Backbone interact. energy: -1.215
local terms energy: -168.374497
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -34.888
flat angles P-C4'-P energy: -21.012
tors. eta vs tors. theta energy: -50.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -518.813208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.813208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.813208 (E_RNA)
where:
Base-Base interactions energy: -356.797
where: short stacking energy: -164.509
Base-Backbone interact. energy: -0.107
local terms energy: -161.909257
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -32.142
flat angles C4'-P-C4' energy: -35.470
flat angles P-C4'-P energy: -25.072
tors. eta vs tors. theta energy: -46.880
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: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -507.371932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.371932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.371932 (E_RNA)
where:
Base-Base interactions energy: -350.737
where: short stacking energy: -151.626
Base-Backbone interact. energy: -0.710
local terms energy: -155.925671
where:
bonds (distance) C4'-P energy: -29.627
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -31.192
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -45.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -453.155243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.155243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.155243 (E_RNA)
where:
Base-Base interactions energy: -294.969
where: short stacking energy: -119.271
Base-Backbone interact. energy: -1.120
local terms energy: -157.066360
where:
bonds (distance) C4'-P energy: -33.124
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -38.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -413.873679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.873679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.873679 (E_RNA)
where:
Base-Base interactions energy: -276.612
where: short stacking energy: -132.333
Base-Backbone interact. energy: -1.457
local terms energy: -135.804039
where:
bonds (distance) C4'-P energy: -26.956
bonds (distance) P-C4' energy: -31.435
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -36.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -340.601692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.601692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.601692 (E_RNA)
where:
Base-Base interactions energy: -223.153
where: short stacking energy: -109.369
Base-Backbone interact. energy: -0.971
local terms energy: -116.478328
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -29.309
flat angles C4'-P-C4' energy: -28.179
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -259.610469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.610469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.610469 (E_RNA)
where:
Base-Base interactions energy: -152.165
where: short stacking energy: -84.201
Base-Backbone interact. energy: -0.603
local terms energy: -106.842759
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -29.721
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -162.814213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.814213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.814213 (E_RNA)
where:
Base-Base interactions energy: -75.801
where: short stacking energy: -48.899
Base-Backbone interact. energy: -0.831
local terms energy: -86.182219
where:
bonds (distance) C4'-P energy: -30.225
bonds (distance) P-C4' energy: -36.456
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: 0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -589.780393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.780393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.780393 (E_RNA)
where:
Base-Base interactions energy: -413.538
where: short stacking energy: -181.905
Base-Backbone interact. energy: -0.687
local terms energy: -175.554837
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -33.422
flat angles C4'-P-C4' energy: -35.323
flat angles P-C4'-P energy: -26.174
tors. eta vs tors. theta energy: -51.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -579.658678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.658678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.658678 (E_RNA)
where:
Base-Base interactions energy: -400.205
where: short stacking energy: -176.986
Base-Backbone interact. energy: -0.017
local terms energy: -179.436849
where:
bonds (distance) C4'-P energy: -32.286
bonds (distance) P-C4' energy: -29.819
flat angles C4'-P-C4' energy: -35.794
flat angles P-C4'-P energy: -31.057
tors. eta vs tors. theta energy: -50.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -542.191770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.191770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.191770 (E_RNA)
where:
Base-Base interactions energy: -365.954
where: short stacking energy: -164.384
Base-Backbone interact. energy: -0.222
local terms energy: -176.015607
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -26.514
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -28.895
tors. eta vs tors. theta energy: -52.288
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: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -502.137846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.137846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.137846 (E_RNA)
where:
Base-Base interactions energy: -328.771
where: short stacking energy: -163.497
Base-Backbone interact. energy: -0.301
local terms energy: -173.065680
where:
bonds (distance) C4'-P energy: -32.971
bonds (distance) P-C4' energy: -28.402
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -27.576
tors. eta vs tors. theta energy: -48.008
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: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -459.492553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.492553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.492553 (E_RNA)
where:
Base-Base interactions energy: -314.834
where: short stacking energy: -144.325
Base-Backbone interact. energy: -0.527
local terms energy: -144.130724
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -43.278
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: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -458.286039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.286039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.286039 (E_RNA)
where:
Base-Base interactions energy: -321.660
where: short stacking energy: -145.024
Base-Backbone interact. energy: -0.110
local terms energy: -136.515541
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -20.435
tors. eta vs tors. theta energy: -40.297
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: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -384.564781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.564781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.564781 (E_RNA)
where:
Base-Base interactions energy: -250.563
where: short stacking energy: -121.846
Base-Backbone interact. energy: -0.792
local terms energy: -133.210455
where:
bonds (distance) C4'-P energy: -28.137
bonds (distance) P-C4' energy: -29.092
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -33.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -406.102614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.102614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.102614 (E_RNA)
where:
Base-Base interactions energy: -281.595
where: short stacking energy: -139.534
Base-Backbone interact. energy: -1.847
local terms energy: -122.660228
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -31.170
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -29.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -237.736872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.736872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.736872 (E_RNA)
where:
Base-Base interactions energy: -135.648
where: short stacking energy: -78.036
Base-Backbone interact. energy: -0.012
local terms energy: -102.077332
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -166.229331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.229331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.229331 (E_RNA)
where:
Base-Base interactions energy: -61.939
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.465
local terms energy: -103.825314
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -36.751
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -587.948769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.948769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.948769 (E_RNA)
where:
Base-Base interactions energy: -408.230
where: short stacking energy: -185.250
Base-Backbone interact. energy: -0.800
local terms energy: -178.918732
where:
bonds (distance) C4'-P energy: -33.576
bonds (distance) P-C4' energy: -30.360
flat angles C4'-P-C4' energy: -37.665
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -51.447
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: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -558.944249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.944249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.944249 (E_RNA)
where:
Base-Base interactions energy: -385.626
where: short stacking energy: -170.557
Base-Backbone interact. energy: -0.036
local terms energy: -173.282506
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -30.919
flat angles C4'-P-C4' energy: -35.903
flat angles P-C4'-P energy: -26.137
tors. eta vs tors. theta energy: -48.268
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: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -542.296830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.296830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.296830 (E_RNA)
where:
Base-Base interactions energy: -366.269
where: short stacking energy: -162.884
Base-Backbone interact. energy: -1.864
local terms energy: -174.164496
where:
bonds (distance) C4'-P energy: -29.379
bonds (distance) P-C4' energy: -31.566
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -29.799
tors. eta vs tors. theta energy: -46.113
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: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -495.210131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.210131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.210131 (E_RNA)
where:
Base-Base interactions energy: -341.894
where: short stacking energy: -147.974
Base-Backbone interact. energy: -0.222
local terms energy: -153.093766
where:
bonds (distance) C4'-P energy: -30.510
bonds (distance) P-C4' energy: -30.095
flat angles C4'-P-C4' energy: -29.505
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: -42.264
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: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -448.567820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.567820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.567820 (E_RNA)
where:
Base-Base interactions energy: -301.831
where: short stacking energy: -141.219
Base-Backbone interact. energy: -2.207
local terms energy: -144.530439
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -37.990
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: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -401.475859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.475859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.475859 (E_RNA)
where:
Base-Base interactions energy: -252.426
where: short stacking energy: -136.403
Base-Backbone interact. energy: -1.213
local terms energy: -147.836840
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -36.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -428.869300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.869300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.869300 (E_RNA)
where:
Base-Base interactions energy: -284.200
where: short stacking energy: -127.362
Base-Backbone interact. energy: -0.264
local terms energy: -144.405776
where:
bonds (distance) C4'-P energy: -28.687
bonds (distance) P-C4' energy: -27.955
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -33.803
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: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -393.518982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.518982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.518982 (E_RNA)
where:
Base-Base interactions energy: -261.580
where: short stacking energy: -127.845
Base-Backbone interact. energy: -1.185
local terms energy: -130.753910
where:
bonds (distance) C4'-P energy: -26.844
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -35.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -283.570520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.570520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.570520 (E_RNA)
where:
Base-Base interactions energy: -169.994
where: short stacking energy: -85.787
Base-Backbone interact. energy: -1.596
local terms energy: -111.981122
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -26.185
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -165.338388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.338388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.338388 (E_RNA)
where:
Base-Base interactions energy: -65.933
where: short stacking energy: -62.521
Base-Backbone interact. energy: 0.469
local terms energy: -99.874169
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -26.365
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -600.141717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.141717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.141717 (E_RNA)
where:
Base-Base interactions energy: -425.927
where: short stacking energy: -190.102
Base-Backbone interact. energy: -0.356
local terms energy: -173.859183
where:
bonds (distance) C4'-P energy: -30.600
bonds (distance) P-C4' energy: -30.055
flat angles C4'-P-C4' energy: -38.875
flat angles P-C4'-P energy: -24.506
tors. eta vs tors. theta energy: -49.822
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: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -573.543057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.543057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.543057 (E_RNA)
where:
Base-Base interactions energy: -399.373
where: short stacking energy: -179.191
Base-Backbone interact. energy: -0.942
local terms energy: -173.228359
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -28.496
flat angles C4'-P-C4' energy: -37.930
flat angles P-C4'-P energy: -24.132
tors. eta vs tors. theta energy: -52.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -548.176887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.176887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.176887 (E_RNA)
where:
Base-Base interactions energy: -365.218
where: short stacking energy: -171.924
Base-Backbone interact. energy: -1.054
local terms energy: -181.904437
where:
bonds (distance) C4'-P energy: -33.229
bonds (distance) P-C4' energy: -35.493
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -28.045
tors. eta vs tors. theta energy: -52.193
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: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -511.971291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.971291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.971291 (E_RNA)
where:
Base-Base interactions energy: -358.720
where: short stacking energy: -168.182
Base-Backbone interact. energy: -1.109
local terms energy: -152.142158
where:
bonds (distance) C4'-P energy: -26.392
bonds (distance) P-C4' energy: -30.131
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -46.421
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: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -473.220805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.220805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.220805 (E_RNA)
where:
Base-Base interactions energy: -318.066
where: short stacking energy: -138.777
Base-Backbone interact. energy: -1.110
local terms energy: -154.044946
where:
bonds (distance) C4'-P energy: -27.423
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -36.066
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: -39.015
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: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -356.460359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.460359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.460359 (E_RNA)
where:
Base-Base interactions energy: -231.381
where: short stacking energy: -123.461
Base-Backbone interact. energy: 0.195
local terms energy: -125.274656
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -28.028
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -25.759
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: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -411.190863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.190863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.190863 (E_RNA)
where:
Base-Base interactions energy: -268.990
where: short stacking energy: -135.606
Base-Backbone interact. energy: -0.879
local terms energy: -141.321170
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -36.655
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -37.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -419.615964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.615964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.615964 (E_RNA)
where:
Base-Base interactions energy: -293.496
where: short stacking energy: -132.841
Base-Backbone interact. energy: -0.627
local terms energy: -125.493188
where:
bonds (distance) C4'-P energy: -26.884
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -26.503
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -34.141
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: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -302.356923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.356923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.356923 (E_RNA)
where:
Base-Base interactions energy: -181.413
where: short stacking energy: -82.332
Base-Backbone interact. energy: 1.487
local terms energy: -122.431215
where:
bonds (distance) C4'-P energy: -31.381
bonds (distance) P-C4' energy: -30.846
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -18.799
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: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -174.757690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.757690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.757690 (E_RNA)
where:
Base-Base interactions energy: -81.090
where: short stacking energy: -73.755
Base-Backbone interact. energy: 3.970
local terms energy: -97.636917
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -29.627
flat angles C4'-P-C4' energy: -26.496
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -8.148
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: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -587.765150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.765150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.765150 (E_RNA)
where:
Base-Base interactions energy: -409.670
where: short stacking energy: -179.171
Base-Backbone interact. energy: -0.509
local terms energy: -177.585919
where:
bonds (distance) C4'-P energy: -34.089
bonds (distance) P-C4' energy: -31.428
flat angles C4'-P-C4' energy: -37.650
flat angles P-C4'-P energy: -23.769
tors. eta vs tors. theta energy: -50.650
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: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -557.606968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.606968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.606968 (E_RNA)
where:
Base-Base interactions energy: -390.225
where: short stacking energy: -164.284
Base-Backbone interact. energy: -0.729
local terms energy: -166.652574
where:
bonds (distance) C4'-P energy: -32.850
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -30.063
flat angles P-C4'-P energy: -25.556
tors. eta vs tors. theta energy: -46.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -533.617059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.617059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.617059 (E_RNA)
where:
Base-Base interactions energy: -371.800
where: short stacking energy: -158.756
Base-Backbone interact. energy: -2.349
local terms energy: -159.468022
where:
bonds (distance) C4'-P energy: -30.399
bonds (distance) P-C4' energy: -35.247
flat angles C4'-P-C4' energy: -29.925
flat angles P-C4'-P energy: -22.178
tors. eta vs tors. theta energy: -41.720
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: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -479.989635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.989635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.989635 (E_RNA)
where:
Base-Base interactions energy: -313.532
where: short stacking energy: -148.225
Base-Backbone interact. energy: -2.247
local terms energy: -164.209879
where:
bonds (distance) C4'-P energy: -34.873
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -32.859
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -36.321
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: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -486.953652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.953652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.953652 (E_RNA)
where:
Base-Base interactions energy: -332.833
where: short stacking energy: -154.877
Base-Backbone interact. energy: -0.496
local terms energy: -153.624920
where:
bonds (distance) C4'-P energy: -25.068
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -31.766
flat angles P-C4'-P energy: -23.199
tors. eta vs tors. theta energy: -42.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -432.496228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.496228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.496228 (E_RNA)
where:
Base-Base interactions energy: -285.936
where: short stacking energy: -139.226
Base-Backbone interact. energy: -0.272
local terms energy: -146.288649
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -26.900
flat angles C4'-P-C4' energy: -32.626
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -39.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -374.898123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.898123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.898123 (E_RNA)
where:
Base-Base interactions energy: -243.574
where: short stacking energy: -139.529
Base-Backbone interact. energy: 0.175
local terms energy: -131.499527
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -23.532
tors. eta vs tors. theta energy: -32.720
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: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -381.378057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.378057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.378057 (E_RNA)
where:
Base-Base interactions energy: -242.616
where: short stacking energy: -120.391
Base-Backbone interact. energy: -0.929
local terms energy: -137.833105
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -33.449
flat angles C4'-P-C4' energy: -33.033
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -26.584
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: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -298.205780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.205780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.205780 (E_RNA)
where:
Base-Base interactions energy: -191.349
where: short stacking energy: -94.993
Base-Backbone interact. energy: -0.885
local terms energy: -105.971941
where:
bonds (distance) C4'-P energy: -28.278
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -146.721335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.721335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.721335 (E_RNA)
where:
Base-Base interactions energy: -58.596
where: short stacking energy: -55.522
Base-Backbone interact. energy: -0.614
local terms energy: -87.511864
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -1.200
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: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -587.861727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.861727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.861727 (E_RNA)
where:
Base-Base interactions energy: -403.439
where: short stacking energy: -170.964
Base-Backbone interact. energy: -0.150
local terms energy: -184.272515
where:
bonds (distance) C4'-P energy: -33.641
bonds (distance) P-C4' energy: -33.673
flat angles C4'-P-C4' energy: -35.685
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -51.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -587.788743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.788743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.788743 (E_RNA)
where:
Base-Base interactions energy: -409.566
where: short stacking energy: -176.855
Base-Backbone interact. energy: -0.432
local terms energy: -177.791136
where:
bonds (distance) C4'-P energy: -30.030
bonds (distance) P-C4' energy: -30.789
flat angles C4'-P-C4' energy: -38.628
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: -50.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -516.966400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.966400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.966400 (E_RNA)
where:
Base-Base interactions energy: -346.558
where: short stacking energy: -170.544
Base-Backbone interact. energy: -0.846
local terms energy: -169.562009
where:
bonds (distance) C4'-P energy: -31.477
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -38.444
flat angles P-C4'-P energy: -24.344
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -497.902383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.902383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.902383 (E_RNA)
where:
Base-Base interactions energy: -326.812
where: short stacking energy: -161.743
Base-Backbone interact. energy: -0.048
local terms energy: -171.042589
where:
bonds (distance) C4'-P energy: -30.695
bonds (distance) P-C4' energy: -34.434
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -45.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -454.335227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.335227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.335227 (E_RNA)
where:
Base-Base interactions energy: -298.453
where: short stacking energy: -143.814
Base-Backbone interact. energy: -0.056
local terms energy: -155.826269
where:
bonds (distance) C4'-P energy: -29.972
bonds (distance) P-C4' energy: -28.031
flat angles C4'-P-C4' energy: -33.952
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -44.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -475.828813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.828813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.828813 (E_RNA)
where:
Base-Base interactions energy: -316.723
where: short stacking energy: -156.166
Base-Backbone interact. energy: -0.715
local terms energy: -158.390776
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -30.459
flat angles C4'-P-C4' energy: -33.786
flat angles P-C4'-P energy: -22.623
tors. eta vs tors. theta energy: -39.701
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: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -391.522588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.522588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.522588 (E_RNA)
where:
Base-Base interactions energy: -250.217
where: short stacking energy: -115.095
Base-Backbone interact. energy: 0.272
local terms energy: -141.577643
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -32.809
flat angles P-C4'-P energy: -20.886
tors. eta vs tors. theta energy: -30.134
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: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -366.952129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.952129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.952129 (E_RNA)
where:
Base-Base interactions energy: -233.058
where: short stacking energy: -109.187
Base-Backbone interact. energy: -1.154
local terms energy: -132.740493
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -33.188
flat angles C4'-P-C4' energy: -30.553
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -31.594
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: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -291.007862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.007862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.007862 (E_RNA)
where:
Base-Base interactions energy: -183.297
where: short stacking energy: -101.518
Base-Backbone interact. energy: -0.307
local terms energy: -107.403574
where:
bonds (distance) C4'-P energy: -26.298
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -223.053731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.053731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.053731 (E_RNA)
where:
Base-Base interactions energy: -107.377
where: short stacking energy: -71.313
Base-Backbone interact. energy: -0.129
local terms energy: -115.547194
where:
bonds (distance) C4'-P energy: -31.618
bonds (distance) P-C4' energy: -35.284
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -588.348671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.348671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.348671 (E_RNA)
where:
Base-Base interactions energy: -411.376
where: short stacking energy: -178.961
Base-Backbone interact. energy: -0.962
local terms energy: -176.010788
where:
bonds (distance) C4'-P energy: -34.285
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -47.889
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: 309
Temperature: 0.950000
Total energy: -587.080480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.080480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.080480 (E_RNA)
where:
Base-Base interactions energy: -411.502
where: short stacking energy: -185.518
Base-Backbone interact. energy: -0.655
local terms energy: -174.923281
where:
bonds (distance) C4'-P energy: -33.887
bonds (distance) P-C4' energy: -34.798
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -22.008
tors. eta vs tors. theta energy: -49.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -523.076181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.076181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.076181 (E_RNA)
where:
Base-Base interactions energy: -358.824
where: short stacking energy: -159.537
Base-Backbone interact. energy: -1.625
local terms energy: -162.627770
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -35.030
flat angles C4'-P-C4' energy: -37.480
flat angles P-C4'-P energy: -23.745
tors. eta vs tors. theta energy: -41.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -478.665468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.665468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.665468 (E_RNA)
where:
Base-Base interactions energy: -312.787
where: short stacking energy: -158.123
Base-Backbone interact. energy: -0.944
local terms energy: -164.935109
where:
bonds (distance) C4'-P energy: -33.460
bonds (distance) P-C4' energy: -33.482
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -45.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -471.944503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.944503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.944503 (E_RNA)
where:
Base-Base interactions energy: -323.975
where: short stacking energy: -148.094
Base-Backbone interact. energy: -0.009
local terms energy: -147.961007
where:
bonds (distance) C4'-P energy: -24.406
bonds (distance) P-C4' energy: -33.196
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -21.937
tors. eta vs tors. theta energy: -38.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -471.929318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.929318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.929318 (E_RNA)
where:
Base-Base interactions energy: -323.124
where: short stacking energy: -155.209
Base-Backbone interact. energy: -0.823
local terms energy: -147.982379
where:
bonds (distance) C4'-P energy: -24.183
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -25.333
tors. eta vs tors. theta energy: -42.442
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: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -383.469470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.469470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.469470 (E_RNA)
where:
Base-Base interactions energy: -264.743
where: short stacking energy: -122.021
Base-Backbone interact. energy: 0.480
local terms energy: -119.206497
where:
bonds (distance) C4'-P energy: -26.839
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -27.711
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -23.741
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: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -321.382162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.382162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.382162 (E_RNA)
where:
Base-Base interactions energy: -200.703
where: short stacking energy: -97.998
Base-Backbone interact. energy: -0.417
local terms energy: -120.263035
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -341.982304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.982304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.982304 (E_RNA)
where:
Base-Base interactions energy: -212.239
where: short stacking energy: -109.313
Base-Backbone interact. energy: 0.046
local terms energy: -129.789031
where:
bonds (distance) C4'-P energy: -28.305
bonds (distance) P-C4' energy: -25.098
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -22.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -209.314221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.314221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.314221 (E_RNA)
where:
Base-Base interactions energy: -97.695
where: short stacking energy: -64.499
Base-Backbone interact. energy: 0.727
local terms energy: -112.346114
where:
bonds (distance) C4'-P energy: -27.288
bonds (distance) P-C4' energy: -30.625
flat angles C4'-P-C4' energy: -27.718
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -591.940571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.940571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.940571 (E_RNA)
where:
Base-Base interactions energy: -413.928
where: short stacking energy: -181.313
Base-Backbone interact. energy: -0.179
local terms energy: -177.833112
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -34.327
flat angles C4'-P-C4' energy: -40.983
flat angles P-C4'-P energy: -29.500
tors. eta vs tors. theta energy: -47.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -590.135804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.135804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.135804 (E_RNA)
where:
Base-Base interactions energy: -406.111
where: short stacking energy: -179.726
Base-Backbone interact. energy: -0.803
local terms energy: -183.221137
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -33.503
flat angles C4'-P-C4' energy: -38.569
flat angles P-C4'-P energy: -27.347
tors. eta vs tors. theta energy: -52.961
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: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -528.173314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.173314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.173314 (E_RNA)
where:
Base-Base interactions energy: -363.543
where: short stacking energy: -181.574
Base-Backbone interact. energy: -0.438
local terms energy: -164.191707
where:
bonds (distance) C4'-P energy: -27.784
bonds (distance) P-C4' energy: -31.360
flat angles C4'-P-C4' energy: -37.614
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -52.239
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: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -485.457038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.457038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.457038 (E_RNA)
where:
Base-Base interactions energy: -322.384
where: short stacking energy: -157.165
Base-Backbone interact. energy: -1.567
local terms energy: -161.506077
where:
bonds (distance) C4'-P energy: -28.234
bonds (distance) P-C4' energy: -34.065
flat angles C4'-P-C4' energy: -31.549
flat angles P-C4'-P energy: -25.091
tors. eta vs tors. theta energy: -42.567
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: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -493.481323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.481323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.481323 (E_RNA)
where:
Base-Base interactions energy: -334.241
where: short stacking energy: -129.663
Base-Backbone interact. energy: -2.321
local terms energy: -156.919540
where:
bonds (distance) C4'-P energy: -32.786
bonds (distance) P-C4' energy: -30.264
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -26.416
tors. eta vs tors. theta energy: -40.016
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: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -489.408322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.408322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.408322 (E_RNA)
where:
Base-Base interactions energy: -325.777
where: short stacking energy: -147.648
Base-Backbone interact. energy: -0.375
local terms energy: -163.256436
where:
bonds (distance) C4'-P energy: -26.215
bonds (distance) P-C4' energy: -37.771
flat angles C4'-P-C4' energy: -33.515
flat angles P-C4'-P energy: -22.357
tors. eta vs tors. theta energy: -43.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -392.721130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.721130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.721130 (E_RNA)
where:
Base-Base interactions energy: -252.285
where: short stacking energy: -133.720
Base-Backbone interact. energy: -0.397
local terms energy: -140.038845
where:
bonds (distance) C4'-P energy: -26.724
bonds (distance) P-C4' energy: -29.306
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -36.684
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: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -336.829395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.829395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.829395 (E_RNA)
where:
Base-Base interactions energy: -214.102
where: short stacking energy: -113.734
Base-Backbone interact. energy: 2.012
local terms energy: -124.739164
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -28.880
flat angles C4'-P-C4' energy: -30.914
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -303.999535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.999535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.999535 (E_RNA)
where:
Base-Base interactions energy: -194.207
where: short stacking energy: -113.527
Base-Backbone interact. energy: 0.897
local terms energy: -110.689486
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -27.318
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: -24.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -157.299767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.299767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.299767 (E_RNA)
where:
Base-Base interactions energy: -70.064
where: short stacking energy: -64.539
Base-Backbone interact. energy: -1.226
local terms energy: -86.010544
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -26.519
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: 0.014
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: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -589.435001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.435001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.435001 (E_RNA)
where:
Base-Base interactions energy: -414.152
where: short stacking energy: -175.907
Base-Backbone interact. energy: -0.014
local terms energy: -175.268643
where:
bonds (distance) C4'-P energy: -29.898
bonds (distance) P-C4' energy: -32.189
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -49.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -571.469130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.469130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.469130 (E_RNA)
where:
Base-Base interactions energy: -403.357
where: short stacking energy: -182.475
Base-Backbone interact. energy: -0.055
local terms energy: -168.057304
where:
bonds (distance) C4'-P energy: -28.431
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -36.422
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -50.259
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: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -534.826662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.826662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.826662 (E_RNA)
where:
Base-Base interactions energy: -356.547
where: short stacking energy: -175.018
Base-Backbone interact. energy: -0.851
local terms energy: -177.428946
where:
bonds (distance) C4'-P energy: -33.243
bonds (distance) P-C4' energy: -33.138
flat angles C4'-P-C4' energy: -33.984
flat angles P-C4'-P energy: -25.588
tors. eta vs tors. theta energy: -51.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -482.004171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.004171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.004171 (E_RNA)
where:
Base-Base interactions energy: -307.431
where: short stacking energy: -141.801
Base-Backbone interact. energy: -0.849
local terms energy: -173.724268
where:
bonds (distance) C4'-P energy: -35.603
bonds (distance) P-C4' energy: -35.183
flat angles C4'-P-C4' energy: -35.221
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -44.160
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: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -450.011438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.011438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.011438 (E_RNA)
where:
Base-Base interactions energy: -315.583
where: short stacking energy: -151.380
Base-Backbone interact. energy: -0.384
local terms energy: -134.044269
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -30.626
flat angles P-C4'-P energy: -23.132
tors. eta vs tors. theta energy: -32.071
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: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -466.355631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.355631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.355631 (E_RNA)
where:
Base-Base interactions energy: -312.434
where: short stacking energy: -161.976
Base-Backbone interact. energy: -1.374
local terms energy: -152.546942
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -34.985
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -40.772
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: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -389.349961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.349961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.349961 (E_RNA)
where:
Base-Base interactions energy: -263.252
where: short stacking energy: -125.517
Base-Backbone interact. energy: -0.898
local terms energy: -125.199853
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -30.538
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: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -317.329313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.329313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.329313 (E_RNA)
where:
Base-Base interactions energy: -189.032
where: short stacking energy: -109.393
Base-Backbone interact. energy: -0.322
local terms energy: -127.975014
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -28.544
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -25.911
tors. eta vs tors. theta energy: -23.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -317.788496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.788496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.788496 (E_RNA)
where:
Base-Base interactions energy: -211.718
where: short stacking energy: -91.451
Base-Backbone interact. energy: 0.940
local terms energy: -107.011025
where:
bonds (distance) C4'-P energy: -22.886
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -27.564
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -20.974
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: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -154.139740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.139740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.139740 (E_RNA)
where:
Base-Base interactions energy: -62.467
where: short stacking energy: -38.436
Base-Backbone interact. energy: -1.862
local terms energy: -89.811247
where:
bonds (distance) C4'-P energy: -30.549
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -586.356943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.356943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.356943 (E_RNA)
where:
Base-Base interactions energy: -413.828
where: short stacking energy: -181.852
Base-Backbone interact. energy: -0.041
local terms energy: -172.488015
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -33.751
flat angles C4'-P-C4' energy: -38.261
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -50.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -577.793427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.793427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.793427 (E_RNA)
where:
Base-Base interactions energy: -395.707
where: short stacking energy: -175.703
Base-Backbone interact. energy: -0.566
local terms energy: -181.520692
where:
bonds (distance) C4'-P energy: -35.354
bonds (distance) P-C4' energy: -31.600
flat angles C4'-P-C4' energy: -34.794
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: -53.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -540.886664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.886664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.886664 (E_RNA)
where:
Base-Base interactions energy: -374.239
where: short stacking energy: -161.248
Base-Backbone interact. energy: -0.198
local terms energy: -166.449596
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -37.828
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -48.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -475.997912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.997912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.997912 (E_RNA)
where:
Base-Base interactions energy: -312.810
where: short stacking energy: -151.007
Base-Backbone interact. energy: -2.673
local terms energy: -160.515322
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -35.894
flat angles C4'-P-C4' energy: -32.067
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -45.526
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: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -509.980976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.980976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.980976 (E_RNA)
where:
Base-Base interactions energy: -345.768
where: short stacking energy: -168.147
Base-Backbone interact. energy: -0.598
local terms energy: -163.615290
where:
bonds (distance) C4'-P energy: -26.918
bonds (distance) P-C4' energy: -27.243
flat angles C4'-P-C4' energy: -34.852
flat angles P-C4'-P energy: -25.619
tors. eta vs tors. theta energy: -48.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -462.024626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.024626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.024626 (E_RNA)
where:
Base-Base interactions energy: -317.804
where: short stacking energy: -148.641
Base-Backbone interact. energy: -0.053
local terms energy: -144.167946
where:
bonds (distance) C4'-P energy: -31.923
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -38.992
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: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -394.075227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.075227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.075227 (E_RNA)
where:
Base-Base interactions energy: -257.414
where: short stacking energy: -125.140
Base-Backbone interact. energy: 1.599
local terms energy: -138.260024
where:
bonds (distance) C4'-P energy: -33.923
bonds (distance) P-C4' energy: -24.953
flat angles C4'-P-C4' energy: -35.700
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -25.591
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: 312
Temperature: 1.250000
Total energy: -353.265478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.265478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.265478 (E_RNA)
where:
Base-Base interactions energy: -203.094
where: short stacking energy: -119.267
Base-Backbone interact. energy: 0.687
local terms energy: -150.858867
where:
bonds (distance) C4'-P energy: -32.351
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -30.519
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -33.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -252.694182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.694182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.694182 (E_RNA)
where:
Base-Base interactions energy: -140.406
where: short stacking energy: -67.454
Base-Backbone interact. energy: -0.341
local terms energy: -111.947351
where:
bonds (distance) C4'-P energy: -37.518
bonds (distance) P-C4' energy: -30.540
flat angles C4'-P-C4' energy: -28.590
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -2.958
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: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -167.033884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.033884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.033884 (E_RNA)
where:
Base-Base interactions energy: -69.499
where: short stacking energy: -59.130
Base-Backbone interact. energy: -0.115
local terms energy: -97.419966
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -26.418
flat angles P-C4'-P energy: -16.736
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: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -579.986466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.986466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.986466 (E_RNA)
where:
Base-Base interactions energy: -399.311
where: short stacking energy: -173.550
Base-Backbone interact. energy: -0.354
local terms energy: -180.321812
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -39.489
flat angles P-C4'-P energy: -26.672
tors. eta vs tors. theta energy: -49.716
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: 313
Temperature: 0.950000
Total energy: -574.613494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.613494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.613494 (E_RNA)
where:
Base-Base interactions energy: -399.713
where: short stacking energy: -179.272
Base-Backbone interact. energy: -0.490
local terms energy: -174.410319
where:
bonds (distance) C4'-P energy: -31.834
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -34.830
flat angles P-C4'-P energy: -25.857
tors. eta vs tors. theta energy: -49.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -522.741569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.741569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.741569 (E_RNA)
where:
Base-Base interactions energy: -362.315
where: short stacking energy: -159.232
Base-Backbone interact. energy: -0.457
local terms energy: -159.968861
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -32.059
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: -40.097
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: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -507.211178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.211178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.211178 (E_RNA)
where:
Base-Base interactions energy: -349.930
where: short stacking energy: -165.769
Base-Backbone interact. energy: -0.435
local terms energy: -156.845933
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -29.609
flat angles C4'-P-C4' energy: -32.042
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -49.463
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: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -482.831920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.831920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.831920 (E_RNA)
where:
Base-Base interactions energy: -304.900
where: short stacking energy: -158.633
Base-Backbone interact. energy: -1.093
local terms energy: -176.838886
where:
bonds (distance) C4'-P energy: -33.055
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -34.965
flat angles P-C4'-P energy: -28.659
tors. eta vs tors. theta energy: -51.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -472.507958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.507958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.507958 (E_RNA)
where:
Base-Base interactions energy: -326.126
where: short stacking energy: -152.783
Base-Backbone interact. energy: -0.871
local terms energy: -145.510715
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -22.016
tors. eta vs tors. theta energy: -43.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -412.804100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.804100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.804100 (E_RNA)
where:
Base-Base interactions energy: -276.954
where: short stacking energy: -131.609
Base-Backbone interact. energy: -1.381
local terms energy: -134.468928
where:
bonds (distance) C4'-P energy: -31.454
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -27.207
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -25.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -310.126320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.126320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.126320 (E_RNA)
where:
Base-Base interactions energy: -187.334
where: short stacking energy: -101.996
Base-Backbone interact. energy: -0.380
local terms energy: -122.412554
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -29.662
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -279.257685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.257685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.257685 (E_RNA)
where:
Base-Base interactions energy: -148.745
where: short stacking energy: -86.053
Base-Backbone interact. energy: -0.809
local terms energy: -129.703231
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -31.648
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -19.633
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: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -157.135982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.135982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.135982 (E_RNA)
where:
Base-Base interactions energy: -61.518
where: short stacking energy: -55.379
Base-Backbone interact. energy: 0.109
local terms energy: -95.726655
where:
bonds (distance) C4'-P energy: -28.277
bonds (distance) P-C4' energy: -33.104
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: 5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -587.034336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.034336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.034336 (E_RNA)
where:
Base-Base interactions energy: -409.930
where: short stacking energy: -186.928
Base-Backbone interact. energy: -0.177
local terms energy: -176.927722
where:
bonds (distance) C4'-P energy: -31.934
bonds (distance) P-C4' energy: -28.561
flat angles C4'-P-C4' energy: -36.787
flat angles P-C4'-P energy: -29.048
tors. eta vs tors. theta energy: -50.598
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: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -570.813752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.813752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.813752 (E_RNA)
where:
Base-Base interactions energy: -401.909
where: short stacking energy: -177.723
Base-Backbone interact. energy: -0.171
local terms energy: -168.733543
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -30.708
flat angles C4'-P-C4' energy: -36.504
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -50.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -534.764242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.764242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.764242 (E_RNA)
where:
Base-Base interactions energy: -359.475
where: short stacking energy: -162.793
Base-Backbone interact. energy: 0.020
local terms energy: -175.308724
where:
bonds (distance) C4'-P energy: -31.099
bonds (distance) P-C4' energy: -37.041
flat angles C4'-P-C4' energy: -36.605
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -46.248
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: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -517.143965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.143965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.143965 (E_RNA)
where:
Base-Base interactions energy: -348.771
where: short stacking energy: -168.905
Base-Backbone interact. energy: -0.617
local terms energy: -167.755807
where:
bonds (distance) C4'-P energy: -28.587
bonds (distance) P-C4' energy: -30.278
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -22.932
tors. eta vs tors. theta energy: -50.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -494.344560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.344560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.344560 (E_RNA)
where:
Base-Base interactions energy: -335.908
where: short stacking energy: -153.580
Base-Backbone interact. energy: -0.368
local terms energy: -158.068466
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -29.993
flat angles C4'-P-C4' energy: -30.485
flat angles P-C4'-P energy: -28.141
tors. eta vs tors. theta energy: -40.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -442.109692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.109692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.109692 (E_RNA)
where:
Base-Base interactions energy: -297.445
where: short stacking energy: -136.226
Base-Backbone interact. energy: -0.383
local terms energy: -144.282098
where:
bonds (distance) C4'-P energy: -34.808
bonds (distance) P-C4' energy: -26.052
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -38.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -413.965031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.965031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.965031 (E_RNA)
where:
Base-Base interactions energy: -275.663
where: short stacking energy: -121.345
Base-Backbone interact. energy: 0.239
local terms energy: -138.540938
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -29.204
flat angles P-C4'-P energy: -20.508
tors. eta vs tors. theta energy: -24.466
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: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -332.944432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.944432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.944432 (E_RNA)
where:
Base-Base interactions energy: -193.236
where: short stacking energy: -112.796
Base-Backbone interact. energy: 0.368
local terms energy: -140.076067
where:
bonds (distance) C4'-P energy: -34.496
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -27.902
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -29.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -271.481114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.481114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.481114 (E_RNA)
where:
Base-Base interactions energy: -147.946
where: short stacking energy: -70.046
Base-Backbone interact. energy: -0.645
local terms energy: -122.890343
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -31.142
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -13.055
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: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -155.369948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.369948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.369948 (E_RNA)
where:
Base-Base interactions energy: -71.936
where: short stacking energy: -41.768
Base-Backbone interact. energy: -0.084
local terms energy: -83.350482
where:
bonds (distance) C4'-P energy: -26.384
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: 10.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -588.990105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.990105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.990105 (E_RNA)
where:
Base-Base interactions energy: -407.539
where: short stacking energy: -181.252
Base-Backbone interact. energy: -0.928
local terms energy: -180.522959
where:
bonds (distance) C4'-P energy: -24.867
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -31.275
tors. eta vs tors. theta energy: -54.144
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: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -583.476289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.476289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.476289 (E_RNA)
where:
Base-Base interactions energy: -395.043
where: short stacking energy: -178.490
Base-Backbone interact. energy: -0.112
local terms energy: -188.321948
where:
bonds (distance) C4'-P energy: -32.401
bonds (distance) P-C4' energy: -36.791
flat angles C4'-P-C4' energy: -36.964
flat angles P-C4'-P energy: -28.359
tors. eta vs tors. theta energy: -53.807
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: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -527.535716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.535716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.535716 (E_RNA)
where:
Base-Base interactions energy: -360.489
where: short stacking energy: -177.402
Base-Backbone interact. energy: -1.183
local terms energy: -165.863258
where:
bonds (distance) C4'-P energy: -27.092
bonds (distance) P-C4' energy: -29.262
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: -53.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -515.192165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.192165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.192165 (E_RNA)
where:
Base-Base interactions energy: -355.242
where: short stacking energy: -164.859
Base-Backbone interact. energy: -1.241
local terms energy: -158.709693
where:
bonds (distance) C4'-P energy: -26.683
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -46.284
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: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -506.153087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.153087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.153087 (E_RNA)
where:
Base-Base interactions energy: -352.407
where: short stacking energy: -154.515
Base-Backbone interact. energy: -2.978
local terms energy: -150.768189
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -29.146
flat angles C4'-P-C4' energy: -34.780
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -43.740
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: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -467.259767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.259767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.259767 (E_RNA)
where:
Base-Base interactions energy: -330.463
where: short stacking energy: -151.968
Base-Backbone interact. energy: -1.474
local terms energy: -135.322821
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -41.893
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: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -426.054773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.054773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.054773 (E_RNA)
where:
Base-Base interactions energy: -288.378
where: short stacking energy: -137.639
Base-Backbone interact. energy: -0.196
local terms energy: -137.481448
where:
bonds (distance) C4'-P energy: -24.814
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -42.122
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: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -332.730932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.730932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.730932 (E_RNA)
where:
Base-Base interactions energy: -201.525
where: short stacking energy: -115.257
Base-Backbone interact. energy: -0.956
local terms energy: -130.249638
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -28.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -306.207424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.207424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.207424 (E_RNA)
where:
Base-Base interactions energy: -172.806
where: short stacking energy: -98.716
Base-Backbone interact. energy: -0.465
local terms energy: -132.936710
where:
bonds (distance) C4'-P energy: -29.395
bonds (distance) P-C4' energy: -31.690
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -167.584140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.584140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.584140 (E_RNA)
where:
Base-Base interactions energy: -67.472
where: short stacking energy: -51.861
Base-Backbone interact. energy: 0.337
local terms energy: -100.448728
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -31.130
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -5.800
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: 316
Temperature: 0.900000
Total energy: -591.895482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.895482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.895482 (E_RNA)
where:
Base-Base interactions energy: -412.939
where: short stacking energy: -188.990
Base-Backbone interact. energy: -0.009
local terms energy: -178.947513
where:
bonds (distance) C4'-P energy: -30.583
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -39.405
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: -52.790
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: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -581.180663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.180663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.180663 (E_RNA)
where:
Base-Base interactions energy: -392.265
where: short stacking energy: -173.858
Base-Backbone interact. energy: -0.174
local terms energy: -188.742641
where:
bonds (distance) C4'-P energy: -35.081
bonds (distance) P-C4' energy: -34.324
flat angles C4'-P-C4' energy: -39.577
flat angles P-C4'-P energy: -27.368
tors. eta vs tors. theta energy: -52.393
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: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -514.584697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.584697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.584697 (E_RNA)
where:
Base-Base interactions energy: -357.691
where: short stacking energy: -170.321
Base-Backbone interact. energy: -0.651
local terms energy: -156.242708
where:
bonds (distance) C4'-P energy: -33.600
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -34.598
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -46.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -522.263437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.263437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.263437 (E_RNA)
where:
Base-Base interactions energy: -355.849
where: short stacking energy: -164.669
Base-Backbone interact. energy: -1.600
local terms energy: -164.814574
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -34.382
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: -46.307
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: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -497.880734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.880734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.880734 (E_RNA)
where:
Base-Base interactions energy: -336.240
where: short stacking energy: -163.282
Base-Backbone interact. energy: -0.634
local terms energy: -161.007519
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -27.707
flat angles C4'-P-C4' energy: -33.955
flat angles P-C4'-P energy: -25.476
tors. eta vs tors. theta energy: -48.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -479.331577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.331577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.331577 (E_RNA)
where:
Base-Base interactions energy: -319.868
where: short stacking energy: -156.712
Base-Backbone interact. energy: -0.185
local terms energy: -159.278399
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -30.229
flat angles C4'-P-C4' energy: -31.247
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -46.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -453.104081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.104081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.104081 (E_RNA)
where:
Base-Base interactions energy: -301.709
where: short stacking energy: -140.174
Base-Backbone interact. energy: 1.839
local terms energy: -153.234060
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -35.346
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -36.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -270.087156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.087156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.087156 (E_RNA)
where:
Base-Base interactions energy: -161.911
where: short stacking energy: -71.197
Base-Backbone interact. energy: -0.921
local terms energy: -107.255526
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -8.086
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: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -296.303065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.303065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.303065 (E_RNA)
where:
Base-Base interactions energy: -179.206
where: short stacking energy: -98.417
Base-Backbone interact. energy: 0.191
local terms energy: -117.287923
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -27.793
flat angles C4'-P-C4' energy: -28.691
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -176.987409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.987409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.987409 (E_RNA)
where:
Base-Base interactions energy: -82.325
where: short stacking energy: -48.962
Base-Backbone interact. energy: -0.628
local terms energy: -94.035057
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: 4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -593.582147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.582147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.582147 (E_RNA)
where:
Base-Base interactions energy: -410.346
where: short stacking energy: -189.789
Base-Backbone interact. energy: -0.244
local terms energy: -182.992850
where:
bonds (distance) C4'-P energy: -34.097
bonds (distance) P-C4' energy: -33.115
flat angles C4'-P-C4' energy: -32.926
flat angles P-C4'-P energy: -30.360
tors. eta vs tors. theta energy: -52.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -576.163842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.163842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.163842 (E_RNA)
where:
Base-Base interactions energy: -393.726
where: short stacking energy: -179.061
Base-Backbone interact. energy: -1.592
local terms energy: -180.845803
where:
bonds (distance) C4'-P energy: -32.544
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -23.680
tors. eta vs tors. theta energy: -50.898
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: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -529.777447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.777447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.777447 (E_RNA)
where:
Base-Base interactions energy: -360.956
where: short stacking energy: -185.998
Base-Backbone interact. energy: -0.282
local terms energy: -168.539529
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: -50.903
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: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -522.986238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.986238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.986238 (E_RNA)
where:
Base-Base interactions energy: -355.386
where: short stacking energy: -159.539
Base-Backbone interact. energy: -0.592
local terms energy: -167.008179
where:
bonds (distance) C4'-P energy: -34.350
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -31.947
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -43.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -500.364252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.364252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.364252 (E_RNA)
where:
Base-Base interactions energy: -334.834
where: short stacking energy: -160.708
Base-Backbone interact. energy: 1.902
local terms energy: -167.432334
where:
bonds (distance) C4'-P energy: -32.240
bonds (distance) P-C4' energy: -25.681
flat angles C4'-P-C4' energy: -37.948
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: -40.841
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: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -463.596416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.596416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.596416 (E_RNA)
where:
Base-Base interactions energy: -317.478
where: short stacking energy: -152.539
Base-Backbone interact. energy: -1.113
local terms energy: -145.005569
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -25.192
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -44.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -435.344832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.344832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.344832 (E_RNA)
where:
Base-Base interactions energy: -296.242
where: short stacking energy: -141.179
Base-Backbone interact. energy: -1.199
local terms energy: -137.904097
where:
bonds (distance) C4'-P energy: -23.814
bonds (distance) P-C4' energy: -31.695
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -37.688
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: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -330.587599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.587599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.587599 (E_RNA)
where:
Base-Base interactions energy: -211.356
where: short stacking energy: -108.913
Base-Backbone interact. energy: -0.278
local terms energy: -118.953835
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -21.764
flat angles C4'-P-C4' energy: -34.472
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -19.993
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: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -230.587932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.587932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.587932 (E_RNA)
where:
Base-Base interactions energy: -128.666
where: short stacking energy: -69.066
Base-Backbone interact. energy: -0.318
local terms energy: -101.603772
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -8.584
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: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -154.637183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.637183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.637183 (E_RNA)
where:
Base-Base interactions energy: -44.891
where: short stacking energy: -39.927
Base-Backbone interact. energy: -1.154
local terms energy: -108.591853
where:
bonds (distance) C4'-P energy: -25.569
bonds (distance) P-C4' energy: -30.735
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: 2.535
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: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -587.405194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.405194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.405194 (E_RNA)
where:
Base-Base interactions energy: -410.744
where: short stacking energy: -183.419
Base-Backbone interact. energy: -1.792
local terms energy: -174.869170
where:
bonds (distance) C4'-P energy: -31.805
bonds (distance) P-C4' energy: -29.975
flat angles C4'-P-C4' energy: -36.427
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: -53.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -569.563839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.563839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.563839 (E_RNA)
where:
Base-Base interactions energy: -396.738
where: short stacking energy: -188.991
Base-Backbone interact. energy: -0.055
local terms energy: -172.770544
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -34.948
flat angles C4'-P-C4' energy: -37.820
flat angles P-C4'-P energy: -25.072
tors. eta vs tors. theta energy: -51.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -533.145966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.145966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.145966 (E_RNA)
where:
Base-Base interactions energy: -361.650
where: short stacking energy: -172.963
Base-Backbone interact. energy: -0.408
local terms energy: -171.088045
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -36.113
flat angles C4'-P-C4' energy: -38.626
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -47.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -525.372342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.372342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.372342 (E_RNA)
where:
Base-Base interactions energy: -356.884
where: short stacking energy: -172.215
Base-Backbone interact. energy: -0.298
local terms energy: -168.189863
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -27.869
flat angles C4'-P-C4' energy: -35.590
flat angles P-C4'-P energy: -25.592
tors. eta vs tors. theta energy: -51.537
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: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -500.135591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.135591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.135591 (E_RNA)
where:
Base-Base interactions energy: -347.454
where: short stacking energy: -156.669
Base-Backbone interact. energy: -0.447
local terms energy: -152.235058
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -34.703
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -50.232
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: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -442.316278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.316278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.316278 (E_RNA)
where:
Base-Base interactions energy: -303.806
where: short stacking energy: -140.818
Base-Backbone interact. energy: 2.398
local terms energy: -140.909174
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -31.266
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -41.400
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: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -346.091441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.091441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.091441 (E_RNA)
where:
Base-Base interactions energy: -222.550
where: short stacking energy: -119.354
Base-Backbone interact. energy: -0.275
local terms energy: -123.266679
where:
bonds (distance) C4'-P energy: -28.461
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -23.358
tors. eta vs tors. theta energy: -26.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -412.515599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.515599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.515599 (E_RNA)
where:
Base-Base interactions energy: -273.158
where: short stacking energy: -126.751
Base-Backbone interact. energy: -1.050
local terms energy: -138.306995
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -27.243
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -38.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -253.797819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.797819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.797819 (E_RNA)
where:
Base-Base interactions energy: -138.953
where: short stacking energy: -92.122
Base-Backbone interact. energy: -0.123
local terms energy: -114.721748
where:
bonds (distance) C4'-P energy: -32.975
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -17.917
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: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -200.985955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.985955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.985955 (E_RNA)
where:
Base-Base interactions energy: -105.359
where: short stacking energy: -62.107
Base-Backbone interact. energy: -1.674
local terms energy: -93.953057
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -8.922
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: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -572.110235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.110235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.110235 (E_RNA)
where:
Base-Base interactions energy: -391.808
where: short stacking energy: -176.496
Base-Backbone interact. energy: -1.056
local terms energy: -179.246621
where:
bonds (distance) C4'-P energy: -29.732
bonds (distance) P-C4' energy: -34.546
flat angles C4'-P-C4' energy: -38.019
flat angles P-C4'-P energy: -30.082
tors. eta vs tors. theta energy: -46.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -573.739873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.739873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.739873 (E_RNA)
where:
Base-Base interactions energy: -393.023
where: short stacking energy: -174.308
Base-Backbone interact. energy: -1.179
local terms energy: -179.538088
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -36.356
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -28.246
tors. eta vs tors. theta energy: -50.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -527.529547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.529547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.529547 (E_RNA)
where:
Base-Base interactions energy: -369.545
where: short stacking energy: -175.169
Base-Backbone interact. energy: -1.139
local terms energy: -156.845832
where:
bonds (distance) C4'-P energy: -28.032
bonds (distance) P-C4' energy: -25.887
flat angles C4'-P-C4' energy: -36.414
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -43.344
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: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -496.557434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.557434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.557434 (E_RNA)
where:
Base-Base interactions energy: -335.475
where: short stacking energy: -149.920
Base-Backbone interact. energy: -1.525
local terms energy: -159.557050
where:
bonds (distance) C4'-P energy: -30.469
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -46.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -501.285644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.285644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.285644 (E_RNA)
where:
Base-Base interactions energy: -336.102
where: short stacking energy: -161.096
Base-Backbone interact. energy: -0.160
local terms energy: -165.023123
where:
bonds (distance) C4'-P energy: -26.556
bonds (distance) P-C4' energy: -34.090
flat angles C4'-P-C4' energy: -31.746
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -50.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -455.885628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.885628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.885628 (E_RNA)
where:
Base-Base interactions energy: -316.881
where: short stacking energy: -148.529
Base-Backbone interact. energy: -2.979
local terms energy: -136.025675
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -40.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -335.491214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.491214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.491214 (E_RNA)
where:
Base-Base interactions energy: -206.541
where: short stacking energy: -121.016
Base-Backbone interact. energy: -0.591
local terms energy: -128.359565
where:
bonds (distance) C4'-P energy: -26.487
bonds (distance) P-C4' energy: -32.769
flat angles C4'-P-C4' energy: -31.064
flat angles P-C4'-P energy: -16.655
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: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -393.157689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.157689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.157689 (E_RNA)
where:
Base-Base interactions energy: -260.869
where: short stacking energy: -117.059
Base-Backbone interact. energy: -0.455
local terms energy: -131.833561
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -32.370
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -29.434
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: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -233.831772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.831772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.831772 (E_RNA)
where:
Base-Base interactions energy: -134.632
where: short stacking energy: -85.771
Base-Backbone interact. energy: 0.436
local terms energy: -99.635447
where:
bonds (distance) C4'-P energy: -23.101
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -26.058
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -12.554
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: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -213.867385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.867385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.867385 (E_RNA)
where:
Base-Base interactions energy: -104.465
where: short stacking energy: -58.673
Base-Backbone interact. energy: -1.502
local terms energy: -107.900882
where:
bonds (distance) C4'-P energy: -26.900
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -592.041672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.041672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.041672 (E_RNA)
where:
Base-Base interactions energy: -409.563
where: short stacking energy: -181.284
Base-Backbone interact. energy: -0.598
local terms energy: -181.880777
where:
bonds (distance) C4'-P energy: -29.249
bonds (distance) P-C4' energy: -32.840
flat angles C4'-P-C4' energy: -38.159
flat angles P-C4'-P energy: -26.938
tors. eta vs tors. theta energy: -54.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -580.718205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.718205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.718205 (E_RNA)
where:
Base-Base interactions energy: -406.402
where: short stacking energy: -187.698
Base-Backbone interact. energy: -0.005
local terms energy: -174.310677
where:
bonds (distance) C4'-P energy: -25.537
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -36.343
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -54.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -525.988576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.988576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.988576 (E_RNA)
where:
Base-Base interactions energy: -369.215
where: short stacking energy: -162.628
Base-Backbone interact. energy: -0.201
local terms energy: -156.571755
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -35.270
flat angles P-C4'-P energy: -19.785
tors. eta vs tors. theta energy: -45.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -488.702191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.702191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.702191 (E_RNA)
where:
Base-Base interactions energy: -331.720
where: short stacking energy: -146.738
Base-Backbone interact. energy: 1.854
local terms energy: -158.836519
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -32.474
flat angles C4'-P-C4' energy: -29.120
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -44.861
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: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -530.863094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.863094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.863094 (E_RNA)
where:
Base-Base interactions energy: -354.546
where: short stacking energy: -164.983
Base-Backbone interact. energy: -0.514
local terms energy: -175.803117
where:
bonds (distance) C4'-P energy: -34.573
bonds (distance) P-C4' energy: -28.786
flat angles C4'-P-C4' energy: -36.125
flat angles P-C4'-P energy: -24.421
tors. eta vs tors. theta energy: -51.899
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: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -463.707773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.707773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.707773 (E_RNA)
where:
Base-Base interactions energy: -312.780
where: short stacking energy: -156.575
Base-Backbone interact. energy: -0.901
local terms energy: -150.026746
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -33.892
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -44.721
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: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -361.146182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.146182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.146182 (E_RNA)
where:
Base-Base interactions energy: -222.518
where: short stacking energy: -106.259
Base-Backbone interact. energy: -0.515
local terms energy: -138.112728
where:
bonds (distance) C4'-P energy: -29.742
bonds (distance) P-C4' energy: -33.009
flat angles C4'-P-C4' energy: -27.803
flat angles P-C4'-P energy: -19.570
tors. eta vs tors. theta energy: -27.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -351.397827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.397827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.397827 (E_RNA)
where:
Base-Base interactions energy: -240.756
where: short stacking energy: -120.254
Base-Backbone interact. energy: 0.853
local terms energy: -111.495547
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -28.610
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -25.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -227.008536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.008536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.008536 (E_RNA)
where:
Base-Base interactions energy: -113.384
where: short stacking energy: -69.713
Base-Backbone interact. energy: 1.186
local terms energy: -114.810102
where:
bonds (distance) C4'-P energy: -29.667
bonds (distance) P-C4' energy: -33.706
flat angles C4'-P-C4' energy: -33.026
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -223.421713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.421713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.421713 (E_RNA)
where:
Base-Base interactions energy: -137.941
where: short stacking energy: -73.171
Base-Backbone interact. energy: -0.675
local terms energy: -84.805320
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -27.717
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -0.456
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: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -586.585105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.585105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.585105 (E_RNA)
where:
Base-Base interactions energy: -409.972
where: short stacking energy: -182.491
Base-Backbone interact. energy: -0.004
local terms energy: -176.609112
where:
bonds (distance) C4'-P energy: -29.256
bonds (distance) P-C4' energy: -29.916
flat angles C4'-P-C4' energy: -38.915
flat angles P-C4'-P energy: -27.149
tors. eta vs tors. theta energy: -51.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -571.099482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.099482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.099482 (E_RNA)
where:
Base-Base interactions energy: -399.819
where: short stacking energy: -185.259
Base-Backbone interact. energy: -0.061
local terms energy: -171.219019
where:
bonds (distance) C4'-P energy: -28.234
bonds (distance) P-C4' energy: -27.570
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -29.704
tors. eta vs tors. theta energy: -50.744
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: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -525.034234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.034234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.034234 (E_RNA)
where:
Base-Base interactions energy: -352.142
where: short stacking energy: -167.098
Base-Backbone interact. energy: -0.869
local terms energy: -172.023607
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -35.367
flat angles C4'-P-C4' energy: -37.952
flat angles P-C4'-P energy: -22.360
tors. eta vs tors. theta energy: -48.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -516.397380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.397380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.397380 (E_RNA)
where:
Base-Base interactions energy: -348.014
where: short stacking energy: -172.841
Base-Backbone interact. energy: -1.637
local terms energy: -166.746306
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -35.196
flat angles C4'-P-C4' energy: -38.206
flat angles P-C4'-P energy: -25.520
tors. eta vs tors. theta energy: -48.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -468.888776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.888776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.888776 (E_RNA)
where:
Base-Base interactions energy: -310.555
where: short stacking energy: -156.667
Base-Backbone interact. energy: -0.022
local terms energy: -158.312135
where:
bonds (distance) C4'-P energy: -27.342
bonds (distance) P-C4' energy: -30.554
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -46.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -476.534261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.534261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.534261 (E_RNA)
where:
Base-Base interactions energy: -326.892
where: short stacking energy: -144.441
Base-Backbone interact. energy: -1.580
local terms energy: -148.061655
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -33.948
flat angles C4'-P-C4' energy: -27.082
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -38.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -334.099042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.099042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.099042 (E_RNA)
where:
Base-Base interactions energy: -218.957
where: short stacking energy: -112.743
Base-Backbone interact. energy: -0.654
local terms energy: -114.487913
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -27.877
flat angles C4'-P-C4' energy: -28.331
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -326.684391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.684391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.684391 (E_RNA)
where:
Base-Base interactions energy: -206.569
where: short stacking energy: -94.979
Base-Backbone interact. energy: -0.881
local terms energy: -119.234525
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -35.156
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -229.024659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.024659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.024659 (E_RNA)
where:
Base-Base interactions energy: -118.262
where: short stacking energy: -69.561
Base-Backbone interact. energy: -0.937
local terms energy: -109.826259
where:
bonds (distance) C4'-P energy: -34.055
bonds (distance) P-C4' energy: -29.329
flat angles C4'-P-C4' energy: -25.312
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -8.536
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: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -234.444507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.444507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.444507 (E_RNA)
where:
Base-Base interactions energy: -127.070
where: short stacking energy: -69.657
Base-Backbone interact. energy: 0.538
local terms energy: -107.912431
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -24.725
tors. eta vs tors. theta energy: -9.509
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: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -588.607120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.607120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.607120 (E_RNA)
where:
Base-Base interactions energy: -400.258
where: short stacking energy: -181.892
Base-Backbone interact. energy: -0.988
local terms energy: -187.360845
where:
bonds (distance) C4'-P energy: -34.263
bonds (distance) P-C4' energy: -32.554
flat angles C4'-P-C4' energy: -39.398
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -52.376
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: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -594.113533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.113533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.113533 (E_RNA)
where:
Base-Base interactions energy: -413.119
where: short stacking energy: -187.011
Base-Backbone interact. energy: -0.012
local terms energy: -180.982883
where:
bonds (distance) C4'-P energy: -30.984
bonds (distance) P-C4' energy: -29.385
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -28.901
tors. eta vs tors. theta energy: -53.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -522.614399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.614399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.614399 (E_RNA)
where:
Base-Base interactions energy: -345.187
where: short stacking energy: -158.402
Base-Backbone interact. energy: -0.938
local terms energy: -176.489108
where:
bonds (distance) C4'-P energy: -38.374
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -35.230
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -41.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -511.429663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.429663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.429663 (E_RNA)
where:
Base-Base interactions energy: -345.206
where: short stacking energy: -169.343
Base-Backbone interact. energy: -0.531
local terms energy: -165.692357
where:
bonds (distance) C4'-P energy: -28.303
bonds (distance) P-C4' energy: -30.497
flat angles C4'-P-C4' energy: -36.720
flat angles P-C4'-P energy: -29.377
tors. eta vs tors. theta energy: -40.796
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: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -491.866834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.866834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.866834 (E_RNA)
where:
Base-Base interactions energy: -330.822
where: short stacking energy: -147.798
Base-Backbone interact. energy: -0.738
local terms energy: -160.307036
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -31.859
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: -40.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -439.825799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.825799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.825799 (E_RNA)
where:
Base-Base interactions energy: -295.524
where: short stacking energy: -135.890
Base-Backbone interact. energy: 1.497
local terms energy: -145.799697
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -28.246
flat angles C4'-P-C4' energy: -35.667
flat angles P-C4'-P energy: -20.673
tors. eta vs tors. theta energy: -37.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -362.047890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.047890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.047890 (E_RNA)
where:
Base-Base interactions energy: -231.876
where: short stacking energy: -113.650
Base-Backbone interact. energy: -1.245
local terms energy: -128.926729
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -29.539
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -293.906407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.906407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.906407 (E_RNA)
where:
Base-Base interactions energy: -161.037
where: short stacking energy: -87.494
Base-Backbone interact. energy: -0.276
local terms energy: -132.593918
where:
bonds (distance) C4'-P energy: -24.633
bonds (distance) P-C4' energy: -33.704
flat angles C4'-P-C4' energy: -31.060
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -21.389
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: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -208.765122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.765122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.765122 (E_RNA)
where:
Base-Base interactions energy: -116.856
where: short stacking energy: -78.051
Base-Backbone interact. energy: -0.434
local terms energy: -91.474317
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -167.655769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.655769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.655769 (E_RNA)
where:
Base-Base interactions energy: -74.946
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.201
local terms energy: -92.508676
where:
bonds (distance) C4'-P energy: -29.431
bonds (distance) P-C4' energy: -27.140
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -592.443162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.443162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.443162 (E_RNA)
where:
Base-Base interactions energy: -409.015
where: short stacking energy: -192.903
Base-Backbone interact. energy: 0.433
local terms energy: -183.861139
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -29.788
flat angles C4'-P-C4' energy: -37.434
flat angles P-C4'-P energy: -29.011
tors. eta vs tors. theta energy: -51.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -586.348988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.348988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.348988 (E_RNA)
where:
Base-Base interactions energy: -411.418
where: short stacking energy: -181.718
Base-Backbone interact. energy: -1.106
local terms energy: -173.824699
where:
bonds (distance) C4'-P energy: -27.439
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -35.254
flat angles P-C4'-P energy: -28.636
tors. eta vs tors. theta energy: -47.579
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: 3, replica: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -534.415745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.415745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.415745 (E_RNA)
where:
Base-Base interactions energy: -368.513
where: short stacking energy: -181.540
Base-Backbone interact. energy: -0.156
local terms energy: -165.747492
where:
bonds (distance) C4'-P energy: -25.884
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -35.000
flat angles P-C4'-P energy: -21.778
tors. eta vs tors. theta energy: -51.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -516.742390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.742390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.742390 (E_RNA)
where:
Base-Base interactions energy: -340.932
where: short stacking energy: -165.932
Base-Backbone interact. energy: -1.296
local terms energy: -174.514024
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -38.249
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -48.558
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: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -467.264326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.264326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.264326 (E_RNA)
where:
Base-Base interactions energy: -313.864
where: short stacking energy: -147.422
Base-Backbone interact. energy: 0.052
local terms energy: -153.451926
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -32.118
flat angles C4'-P-C4' energy: -33.781
flat angles P-C4'-P energy: -20.691
tors. eta vs tors. theta energy: -40.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -398.231474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.231474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.231474 (E_RNA)
where:
Base-Base interactions energy: -260.883
where: short stacking energy: -136.674
Base-Backbone interact. energy: 2.178
local terms energy: -139.526858
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -31.480
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: -26.851
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: 7, replica: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -409.998201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.998201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.998201 (E_RNA)
where:
Base-Base interactions energy: -271.766
where: short stacking energy: -120.937
Base-Backbone interact. energy: -1.552
local terms energy: -136.680104
where:
bonds (distance) C4'-P energy: -24.840
bonds (distance) P-C4' energy: -25.911
flat angles C4'-P-C4' energy: -27.183
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -35.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -291.110316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.110316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.110316 (E_RNA)
where:
Base-Base interactions energy: -170.614
where: short stacking energy: -97.837
Base-Backbone interact. energy: -1.107
local terms energy: -119.389706
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -32.239
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -19.749
tors. eta vs tors. theta energy: -17.579
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: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -261.872939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.872939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.872939 (E_RNA)
where:
Base-Base interactions energy: -149.106
where: short stacking energy: -88.474
Base-Backbone interact. energy: -0.267
local terms energy: -112.500165
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -33.541
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -157.966370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.966370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.966370 (E_RNA)
where:
Base-Base interactions energy: -65.889
where: short stacking energy: -48.226
Base-Backbone interact. energy: 1.064
local terms energy: -93.141632
where:
bonds (distance) C4'-P energy: -26.436
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -1.966
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: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -582.657932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.657932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.657932 (E_RNA)
where:
Base-Base interactions energy: -403.520
where: short stacking energy: -182.626
Base-Backbone interact. energy: -0.416
local terms energy: -178.721844
where:
bonds (distance) C4'-P energy: -33.239
bonds (distance) P-C4' energy: -29.161
flat angles C4'-P-C4' energy: -36.721
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -50.679
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: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -570.999921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.999921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.999921 (E_RNA)
where:
Base-Base interactions energy: -398.949
where: short stacking energy: -174.870
Base-Backbone interact. energy: -0.582
local terms energy: -171.469028
where:
bonds (distance) C4'-P energy: -30.235
bonds (distance) P-C4' energy: -36.895
flat angles C4'-P-C4' energy: -38.005
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -50.391
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: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -516.008050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.008050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.008050 (E_RNA)
where:
Base-Base interactions energy: -342.058
where: short stacking energy: -171.002
Base-Backbone interact. energy: -0.047
local terms energy: -173.902826
where:
bonds (distance) C4'-P energy: -31.045
bonds (distance) P-C4' energy: -33.380
flat angles C4'-P-C4' energy: -37.980
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -48.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -527.585564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.585564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.585564 (E_RNA)
where:
Base-Base interactions energy: -361.486
where: short stacking energy: -169.884
Base-Backbone interact. energy: -0.807
local terms energy: -165.292518
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -34.691
flat angles C4'-P-C4' energy: -32.000
flat angles P-C4'-P energy: -22.716
tors. eta vs tors. theta energy: -48.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -476.333222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.333222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.333222 (E_RNA)
where:
Base-Base interactions energy: -309.209
where: short stacking energy: -148.092
Base-Backbone interact. energy: -0.244
local terms energy: -166.880102
where:
bonds (distance) C4'-P energy: -29.083
bonds (distance) P-C4' energy: -32.471
flat angles C4'-P-C4' energy: -38.587
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -43.369
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: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -411.563733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.563733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.563733 (E_RNA)
where:
Base-Base interactions energy: -261.659
where: short stacking energy: -145.260
Base-Backbone interact. energy: -0.744
local terms energy: -149.160424
where:
bonds (distance) C4'-P energy: -28.465
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -26.672
tors. eta vs tors. theta energy: -35.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -453.032024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.032024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.032024 (E_RNA)
where:
Base-Base interactions energy: -304.236
where: short stacking energy: -133.357
Base-Backbone interact. energy: 1.855
local terms energy: -150.651542
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -35.183
flat angles P-C4'-P energy: -27.141
tors. eta vs tors. theta energy: -41.037
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: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -267.228964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.228964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.228964 (E_RNA)
where:
Base-Base interactions energy: -157.589
where: short stacking energy: -97.279
Base-Backbone interact. energy: -0.600
local terms energy: -109.040346
where:
bonds (distance) C4'-P energy: -26.185
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -13.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -228.953789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.953789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.953789 (E_RNA)
where:
Base-Base interactions energy: -118.966
where: short stacking energy: -75.217
Base-Backbone interact. energy: 0.604
local terms energy: -110.591443
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -32.737
flat angles C4'-P-C4' energy: -24.947
flat angles P-C4'-P energy: -23.434
tors. eta vs tors. theta energy: -2.890
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: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -161.462891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.462891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.462891 (E_RNA)
where:
Base-Base interactions energy: -65.515
where: short stacking energy: -62.074
Base-Backbone interact. energy: -0.268
local terms energy: -95.679551
where:
bonds (distance) C4'-P energy: -25.028
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -26.049
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -9.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -583.542372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.542372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.542372 (E_RNA)
where:
Base-Base interactions energy: -405.508
where: short stacking energy: -181.506
Base-Backbone interact. energy: -0.073
local terms energy: -177.960906
where:
bonds (distance) C4'-P energy: -28.654
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -37.707
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: -48.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -526.959413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.959413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.959413 (E_RNA)
where:
Base-Base interactions energy: -352.183
where: short stacking energy: -173.330
Base-Backbone interact. energy: -0.055
local terms energy: -174.722101
where:
bonds (distance) C4'-P energy: -31.597
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -38.487
flat angles P-C4'-P energy: -24.069
tors. eta vs tors. theta energy: -48.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -568.879233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.879233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.879233 (E_RNA)
where:
Base-Base interactions energy: -395.297
where: short stacking energy: -179.272
Base-Backbone interact. energy: -0.303
local terms energy: -173.278497
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -33.271
flat angles C4'-P-C4' energy: -35.957
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -46.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -535.798855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.798855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.798855 (E_RNA)
where:
Base-Base interactions energy: -361.142
where: short stacking energy: -165.726
Base-Backbone interact. energy: -0.267
local terms energy: -174.389709
where:
bonds (distance) C4'-P energy: -31.630
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -38.366
flat angles P-C4'-P energy: -27.082
tors. eta vs tors. theta energy: -49.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -464.168648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.168648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.168648 (E_RNA)
where:
Base-Base interactions energy: -305.529
where: short stacking energy: -138.276
Base-Backbone interact. energy: -1.918
local terms energy: -156.721850
where:
bonds (distance) C4'-P energy: -29.107
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -35.974
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -38.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -469.173138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.173138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.173138 (E_RNA)
where:
Base-Base interactions energy: -306.641
where: short stacking energy: -159.080
Base-Backbone interact. energy: -1.320
local terms energy: -161.211987
where:
bonds (distance) C4'-P energy: -33.463
bonds (distance) P-C4' energy: -28.889
flat angles C4'-P-C4' energy: -32.433
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -44.203
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: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -357.502400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.502400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.502400 (E_RNA)
where:
Base-Base interactions energy: -212.498
where: short stacking energy: -116.709
Base-Backbone interact. energy: -0.591
local terms energy: -144.413452
where:
bonds (distance) C4'-P energy: -36.913
bonds (distance) P-C4' energy: -27.999
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -26.662
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: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -278.528612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.528612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.528612 (E_RNA)
where:
Base-Base interactions energy: -164.110
where: short stacking energy: -85.268
Base-Backbone interact. energy: -1.310
local terms energy: -113.108172
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -33.429
flat angles C4'-P-C4' energy: -31.592
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -11.668
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: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -247.446185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.446185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.446185 (E_RNA)
where:
Base-Base interactions energy: -141.688
where: short stacking energy: -74.404
Base-Backbone interact. energy: -2.142
local terms energy: -103.616537
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -19.970
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -156.117905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.117905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.117905 (E_RNA)
where:
Base-Base interactions energy: -43.287
where: short stacking energy: -39.103
Base-Backbone interact. energy: 0.073
local terms energy: -112.904245
where:
bonds (distance) C4'-P energy: -29.733
bonds (distance) P-C4' energy: -33.362
flat angles C4'-P-C4' energy: -26.459
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -588.675019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.675019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.675019 (E_RNA)
where:
Base-Base interactions energy: -402.368
where: short stacking energy: -179.275
Base-Backbone interact. energy: -1.421
local terms energy: -184.886288
where:
bonds (distance) C4'-P energy: -33.225
bonds (distance) P-C4' energy: -35.325
flat angles C4'-P-C4' energy: -40.444
flat angles P-C4'-P energy: -26.548
tors. eta vs tors. theta energy: -49.344
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: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -518.423473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.423473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.423473 (E_RNA)
where:
Base-Base interactions energy: -355.476
where: short stacking energy: -177.599
Base-Backbone interact. energy: -0.974
local terms energy: -161.973908
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -30.779
flat angles C4'-P-C4' energy: -37.713
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -47.198
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: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -578.245327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.245327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.245327 (E_RNA)
where:
Base-Base interactions energy: -401.840
where: short stacking energy: -182.462
Base-Backbone interact. energy: -2.358
local terms energy: -174.047602
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -29.237
flat angles C4'-P-C4' energy: -39.391
flat angles P-C4'-P energy: -24.087
tors. eta vs tors. theta energy: -53.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -535.847638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.847638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.847638 (E_RNA)
where:
Base-Base interactions energy: -366.013
where: short stacking energy: -177.635
Base-Backbone interact. energy: -0.267
local terms energy: -169.567635
where:
bonds (distance) C4'-P energy: -29.681
bonds (distance) P-C4' energy: -32.443
flat angles C4'-P-C4' energy: -36.856
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -45.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -500.560518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.560518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.560518 (E_RNA)
where:
Base-Base interactions energy: -345.411
where: short stacking energy: -155.445
Base-Backbone interact. energy: -0.676
local terms energy: -154.473039
where:
bonds (distance) C4'-P energy: -29.156
bonds (distance) P-C4' energy: -30.652
flat angles C4'-P-C4' energy: -29.429
flat angles P-C4'-P energy: -21.690
tors. eta vs tors. theta energy: -43.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -450.556779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.556779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.556779 (E_RNA)
where:
Base-Base interactions energy: -300.595
where: short stacking energy: -140.935
Base-Backbone interact. energy: -0.039
local terms energy: -149.922633
where:
bonds (distance) C4'-P energy: -34.622
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -36.320
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -31.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -298.447916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.447916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.447916 (E_RNA)
where:
Base-Base interactions energy: -177.274
where: short stacking energy: -89.140
Base-Backbone interact. energy: -1.136
local terms energy: -120.038488
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -33.940
flat angles C4'-P-C4' energy: -26.694
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -14.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -296.709979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.709979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.709979 (E_RNA)
where:
Base-Base interactions energy: -171.084
where: short stacking energy: -87.655
Base-Backbone interact. energy: -0.766
local terms energy: -124.860378
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -31.093
flat angles C4'-P-C4' energy: -32.488
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -19.456
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: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -219.568906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.568906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.568906 (E_RNA)
where:
Base-Base interactions energy: -126.571
where: short stacking energy: -67.890
Base-Backbone interact. energy: 1.978
local terms energy: -94.975758
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -27.076
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -4.531
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: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -163.000747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.000747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.000747 (E_RNA)
where:
Base-Base interactions energy: -58.779
where: short stacking energy: -53.300
Base-Backbone interact. energy: -0.179
local terms energy: -104.042585
where:
bonds (distance) C4'-P energy: -28.641
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -578.109095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.109095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.109095 (E_RNA)
where:
Base-Base interactions energy: -392.632
where: short stacking energy: -176.953
Base-Backbone interact. energy: -0.663
local terms energy: -184.813725
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -36.486
flat angles C4'-P-C4' energy: -40.204
flat angles P-C4'-P energy: -23.017
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -580.304358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.304358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.304358 (E_RNA)
where:
Base-Base interactions energy: -403.898
where: short stacking energy: -196.578
Base-Backbone interact. energy: -0.542
local terms energy: -175.864235
where:
bonds (distance) C4'-P energy: -28.391
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -37.277
flat angles P-C4'-P energy: -27.692
tors. eta vs tors. theta energy: -51.439
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: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -505.460050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.460050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.460050 (E_RNA)
where:
Base-Base interactions energy: -337.203
where: short stacking energy: -164.564
Base-Backbone interact. energy: -0.878
local terms energy: -167.378756
where:
bonds (distance) C4'-P energy: -30.691
bonds (distance) P-C4' energy: -29.903
flat angles C4'-P-C4' energy: -31.753
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -45.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -534.685348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.685348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.685348 (E_RNA)
where:
Base-Base interactions energy: -373.298
where: short stacking energy: -167.497
Base-Backbone interact. energy: -0.754
local terms energy: -160.633342
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -27.877
flat angles C4'-P-C4' energy: -35.677
flat angles P-C4'-P energy: -21.575
tors. eta vs tors. theta energy: -47.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -482.717040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.717040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.717040 (E_RNA)
where:
Base-Base interactions energy: -334.538
where: short stacking energy: -145.123
Base-Backbone interact. energy: -1.673
local terms energy: -146.505626
where:
bonds (distance) C4'-P energy: -31.559
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -36.208
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -40.841
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: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -483.817965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.817965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.817965 (E_RNA)
where:
Base-Base interactions energy: -337.379
where: short stacking energy: -157.158
Base-Backbone interact. energy: 1.557
local terms energy: -147.995999
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -31.054
flat angles C4'-P-C4' energy: -36.496
flat angles P-C4'-P energy: -20.449
tors. eta vs tors. theta energy: -35.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -319.347605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.347605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.347605 (E_RNA)
where:
Base-Base interactions energy: -193.645
where: short stacking energy: -108.997
Base-Backbone interact. energy: 0.287
local terms energy: -125.989298
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -27.558
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -24.089
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -308.267286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.267286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.267286 (E_RNA)
where:
Base-Base interactions energy: -189.526
where: short stacking energy: -129.240
Base-Backbone interact. energy: 1.569
local terms energy: -120.309603
where:
bonds (distance) C4'-P energy: -26.053
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -155.362815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.362815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.362815 (E_RNA)
where:
Base-Base interactions energy: -59.025
where: short stacking energy: -58.765
Base-Backbone interact. energy: -0.269
local terms energy: -96.068728
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -24.489
flat angles C4'-P-C4' energy: -26.815
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -2.112
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: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -167.202858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.202858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.202858 (E_RNA)
where:
Base-Base interactions energy: -67.565
where: short stacking energy: -55.436
Base-Backbone interact. energy: -1.221
local terms energy: -98.416572
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -29.972
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -2.321
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: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -587.934449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.934449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.934449 (E_RNA)
where:
Base-Base interactions energy: -407.125
where: short stacking energy: -177.274
Base-Backbone interact. energy: -1.047
local terms energy: -179.762870
where:
bonds (distance) C4'-P energy: -31.053
bonds (distance) P-C4' energy: -32.702
flat angles C4'-P-C4' energy: -35.919
flat angles P-C4'-P energy: -27.580
tors. eta vs tors. theta energy: -52.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -586.333439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.333439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.333439 (E_RNA)
where:
Base-Base interactions energy: -397.985
where: short stacking energy: -182.699
Base-Backbone interact. energy: -1.403
local terms energy: -186.945393
where:
bonds (distance) C4'-P energy: -38.478
bonds (distance) P-C4' energy: -34.276
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -28.290
tors. eta vs tors. theta energy: -52.306
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: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -528.622520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.622520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.622520 (E_RNA)
where:
Base-Base interactions energy: -359.449
where: short stacking energy: -182.308
Base-Backbone interact. energy: -0.014
local terms energy: -169.159862
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -33.919
flat angles C4'-P-C4' energy: -28.203
flat angles P-C4'-P energy: -26.731
tors. eta vs tors. theta energy: -52.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -530.086534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.086534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.086534 (E_RNA)
where:
Base-Base interactions energy: -366.440
where: short stacking energy: -161.711
Base-Backbone interact. energy: -0.438
local terms energy: -163.208403
where:
bonds (distance) C4'-P energy: -31.320
bonds (distance) P-C4' energy: -32.560
flat angles C4'-P-C4' energy: -32.634
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -46.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -500.300822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.300822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.300822 (E_RNA)
where:
Base-Base interactions energy: -334.490
where: short stacking energy: -153.628
Base-Backbone interact. energy: -1.637
local terms energy: -164.173569
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -29.759
flat angles C4'-P-C4' energy: -31.234
flat angles P-C4'-P energy: -27.745
tors. eta vs tors. theta energy: -45.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -481.230198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.230198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.230198 (E_RNA)
where:
Base-Base interactions energy: -331.705
where: short stacking energy: -143.912
Base-Backbone interact. energy: -0.295
local terms energy: -149.230674
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -30.079
flat angles C4'-P-C4' energy: -29.558
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -44.336
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: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -326.982815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.982815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.982815 (E_RNA)
where:
Base-Base interactions energy: -188.103
where: short stacking energy: -119.909
Base-Backbone interact. energy: -1.580
local terms energy: -137.299133
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -33.781
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -30.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -312.385077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.385077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.385077 (E_RNA)
where:
Base-Base interactions energy: -214.059
where: short stacking energy: -94.427
Base-Backbone interact. energy: -0.812
local terms energy: -97.514523
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -24.397
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -3.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -160.788793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.788793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.788793 (E_RNA)
where:
Base-Base interactions energy: -65.061
where: short stacking energy: -62.726
Base-Backbone interact. energy: -0.401
local terms energy: -95.326557
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -159.174104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.174104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.174104 (E_RNA)
where:
Base-Base interactions energy: -73.064
where: short stacking energy: -46.793
Base-Backbone interact. energy: 3.078
local terms energy: -89.187810
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -34.510
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: 9.391
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: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -595.698561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.698561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.698561 (E_RNA)
where:
Base-Base interactions energy: -409.135
where: short stacking energy: -188.208
Base-Backbone interact. energy: -0.623
local terms energy: -185.940185
where:
bonds (distance) C4'-P energy: -36.184
bonds (distance) P-C4' energy: -37.768
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -26.311
tors. eta vs tors. theta energy: -51.192
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: 329
Temperature: 0.950000
Total energy: -574.966931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.966931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.966931 (E_RNA)
where:
Base-Base interactions energy: -409.312
where: short stacking energy: -184.462
Base-Backbone interact. energy: -1.238
local terms energy: -164.416164
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -28.409
flat angles C4'-P-C4' energy: -33.882
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -51.210
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: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -517.710141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.710141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.710141 (E_RNA)
where:
Base-Base interactions energy: -349.850
where: short stacking energy: -168.585
Base-Backbone interact. energy: -0.476
local terms energy: -167.383777
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -35.201
flat angles P-C4'-P energy: -26.447
tors. eta vs tors. theta energy: -48.260
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: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -525.259891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.259891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.259891 (E_RNA)
where:
Base-Base interactions energy: -361.046
where: short stacking energy: -164.039
Base-Backbone interact. energy: -0.114
local terms energy: -164.099182
where:
bonds (distance) C4'-P energy: -30.359
bonds (distance) P-C4' energy: -30.473
flat angles C4'-P-C4' energy: -36.236
flat angles P-C4'-P energy: -24.360
tors. eta vs tors. theta energy: -42.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -482.119841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.119841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.119841 (E_RNA)
where:
Base-Base interactions energy: -322.312
where: short stacking energy: -140.451
Base-Backbone interact. energy: -1.054
local terms energy: -158.753514
where:
bonds (distance) C4'-P energy: -30.304
bonds (distance) P-C4' energy: -29.971
flat angles C4'-P-C4' energy: -34.617
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -41.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -492.464356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.464356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.464356 (E_RNA)
where:
Base-Base interactions energy: -345.215
where: short stacking energy: -165.396
Base-Backbone interact. energy: -0.246
local terms energy: -147.003357
where:
bonds (distance) C4'-P energy: -24.920
bonds (distance) P-C4' energy: -28.889
flat angles C4'-P-C4' energy: -29.569
flat angles P-C4'-P energy: -21.661
tors. eta vs tors. theta energy: -41.964
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: 329
Temperature: 1.200000
Total energy: -297.191871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.191871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.191871 (E_RNA)
where:
Base-Base interactions energy: -175.595
where: short stacking energy: -91.347
Base-Backbone interact. energy: -2.398
local terms energy: -119.198125
where:
bonds (distance) C4'-P energy: -32.048
bonds (distance) P-C4' energy: -30.712
flat angles C4'-P-C4' energy: -28.540
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -327.152545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.152545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.152545 (E_RNA)
where:
Base-Base interactions energy: -204.752
where: short stacking energy: -103.345
Base-Backbone interact. energy: -1.888
local terms energy: -120.513136
where:
bonds (distance) C4'-P energy: -26.761
bonds (distance) P-C4' energy: -29.066
flat angles C4'-P-C4' energy: -28.643
flat angles P-C4'-P energy: -19.833
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -175.807449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.807449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.807449 (E_RNA)
where:
Base-Base interactions energy: -69.740
where: short stacking energy: -46.551
Base-Backbone interact. energy: -0.667
local terms energy: -105.400639
where:
bonds (distance) C4'-P energy: -27.234
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -161.591804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.591804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.591804 (E_RNA)
where:
Base-Base interactions energy: -59.138
where: short stacking energy: -49.500
Base-Backbone interact. energy: -0.580
local terms energy: -101.873860
where:
bonds (distance) C4'-P energy: -29.751
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -30.558
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -593.118931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.118931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.118931 (E_RNA)
where:
Base-Base interactions energy: -423.112
where: short stacking energy: -184.493
Base-Backbone interact. energy: -0.402
local terms energy: -169.604866
where:
bonds (distance) C4'-P energy: -32.503
bonds (distance) P-C4' energy: -25.414
flat angles C4'-P-C4' energy: -34.629
flat angles P-C4'-P energy: -24.511
tors. eta vs tors. theta energy: -52.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -580.763410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.763410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.763410 (E_RNA)
where:
Base-Base interactions energy: -411.432
where: short stacking energy: -186.060
Base-Backbone interact. energy: -0.376
local terms energy: -168.955045
where:
bonds (distance) C4'-P energy: -28.616
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -37.802
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -50.200
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: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -540.462458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.462458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.462458 (E_RNA)
where:
Base-Base interactions energy: -375.491
where: short stacking energy: -166.910
Base-Backbone interact. energy: -0.208
local terms energy: -164.763963
where:
bonds (distance) C4'-P energy: -29.700
bonds (distance) P-C4' energy: -29.557
flat angles C4'-P-C4' energy: -35.735
flat angles P-C4'-P energy: -26.856
tors. eta vs tors. theta energy: -42.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -520.832758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.832758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.832758 (E_RNA)
where:
Base-Base interactions energy: -360.986
where: short stacking energy: -169.855
Base-Backbone interact. energy: -0.500
local terms energy: -159.346245
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -37.115
flat angles P-C4'-P energy: -21.788
tors. eta vs tors. theta energy: -49.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -493.562841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.562841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.562841 (E_RNA)
where:
Base-Base interactions energy: -327.117
where: short stacking energy: -146.156
Base-Backbone interact. energy: -0.280
local terms energy: -166.165315
where:
bonds (distance) C4'-P energy: -27.282
bonds (distance) P-C4' energy: -33.544
flat angles C4'-P-C4' energy: -37.668
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -42.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -451.005381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.005381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.005381 (E_RNA)
where:
Base-Base interactions energy: -296.806
where: short stacking energy: -126.372
Base-Backbone interact. energy: -0.747
local terms energy: -153.452532
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -34.300
flat angles C4'-P-C4' energy: -36.069
flat angles P-C4'-P energy: -27.822
tors. eta vs tors. theta energy: -30.789
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: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -352.922237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.922237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.922237 (E_RNA)
where:
Base-Base interactions energy: -221.354
where: short stacking energy: -120.406
Base-Backbone interact. energy: 0.005
local terms energy: -131.572926
where:
bonds (distance) C4'-P energy: -27.698
bonds (distance) P-C4' energy: -31.921
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -25.138
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: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -289.202292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.202292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.202292 (E_RNA)
where:
Base-Base interactions energy: -162.274
where: short stacking energy: -91.812
Base-Backbone interact. energy: -0.784
local terms energy: -126.144259
where:
bonds (distance) C4'-P energy: -28.500
bonds (distance) P-C4' energy: -32.843
flat angles C4'-P-C4' energy: -27.844
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -24.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -172.534156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.534156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.534156 (E_RNA)
where:
Base-Base interactions energy: -66.514
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.616
local terms energy: -105.404341
where:
bonds (distance) C4'-P energy: -25.862
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -28.338
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -162.874651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.874651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.874651 (E_RNA)
where:
Base-Base interactions energy: -73.225
where: short stacking energy: -55.601
Base-Backbone interact. energy: -1.038
local terms energy: -88.611412
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -25.757
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -4.548
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: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -588.110229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.110229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.110229 (E_RNA)
where:
Base-Base interactions energy: -418.945
where: short stacking energy: -180.966
Base-Backbone interact. energy: -0.122
local terms energy: -169.042534
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -33.745
flat angles C4'-P-C4' energy: -30.006
flat angles P-C4'-P energy: -22.342
tors. eta vs tors. theta energy: -51.329
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: 331
Temperature: 0.950000
Total energy: -582.833459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.833459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.833459 (E_RNA)
where:
Base-Base interactions energy: -399.497
where: short stacking energy: -188.950
Base-Backbone interact. energy: -0.270
local terms energy: -183.066858
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -36.593
flat angles C4'-P-C4' energy: -39.578
flat angles P-C4'-P energy: -27.177
tors. eta vs tors. theta energy: -48.926
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: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -537.196201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.196201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.196201 (E_RNA)
where:
Base-Base interactions energy: -362.687
where: short stacking energy: -168.643
Base-Backbone interact. energy: -0.730
local terms energy: -173.778573
where:
bonds (distance) C4'-P energy: -35.820
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -50.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -523.590327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.590327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.590327 (E_RNA)
where:
Base-Base interactions energy: -353.308
where: short stacking energy: -178.972
Base-Backbone interact. energy: -1.935
local terms energy: -168.347285
where:
bonds (distance) C4'-P energy: -26.492
bonds (distance) P-C4' energy: -28.894
flat angles C4'-P-C4' energy: -37.441
flat angles P-C4'-P energy: -22.560
tors. eta vs tors. theta energy: -52.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -491.502728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.502728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.502728 (E_RNA)
where:
Base-Base interactions energy: -337.374
where: short stacking energy: -165.135
Base-Backbone interact. energy: -0.374
local terms energy: -153.754285
where:
bonds (distance) C4'-P energy: -30.122
bonds (distance) P-C4' energy: -25.465
flat angles C4'-P-C4' energy: -37.847
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -41.784
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: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -473.686985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.686985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.686985 (E_RNA)
where:
Base-Base interactions energy: -308.830
where: short stacking energy: -154.769
Base-Backbone interact. energy: -0.451
local terms energy: -164.405656
where:
bonds (distance) C4'-P energy: -32.007
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -36.641
flat angles P-C4'-P energy: -23.789
tors. eta vs tors. theta energy: -41.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -399.667413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.667413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.667413 (E_RNA)
where:
Base-Base interactions energy: -278.651
where: short stacking energy: -134.112
Base-Backbone interact. energy: -1.349
local terms energy: -119.667274
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -34.166
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -26.467
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: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -285.487668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.487668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.487668 (E_RNA)
where:
Base-Base interactions energy: -180.902
where: short stacking energy: -98.392
Base-Backbone interact. energy: 1.808
local terms energy: -106.393698
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -14.723
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: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -169.302337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.302337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.302337 (E_RNA)
where:
Base-Base interactions energy: -64.239
where: short stacking energy: -63.952
Base-Backbone interact. energy: -0.584
local terms energy: -104.479143
where:
bonds (distance) C4'-P energy: -28.982
bonds (distance) P-C4' energy: -27.422
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -158.959657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.959657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.959657 (E_RNA)
where:
Base-Base interactions energy: -56.636
where: short stacking energy: -56.736
Base-Backbone interact. energy: -0.485
local terms energy: -101.838151
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -26.470
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -589.301156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.301156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.301156 (E_RNA)
where:
Base-Base interactions energy: -411.704
where: short stacking energy: -188.201
Base-Backbone interact. energy: -0.350
local terms energy: -177.246791
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -32.583
flat angles C4'-P-C4' energy: -37.066
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: -51.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -581.476310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.476310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.476310 (E_RNA)
where:
Base-Base interactions energy: -405.440
where: short stacking energy: -188.049
Base-Backbone interact. energy: -0.056
local terms energy: -175.980654
where:
bonds (distance) C4'-P energy: -29.022
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -39.356
flat angles P-C4'-P energy: -25.761
tors. eta vs tors. theta energy: -53.855
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: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -539.397412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.397412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.397412 (E_RNA)
where:
Base-Base interactions energy: -359.674
where: short stacking energy: -181.985
Base-Backbone interact. energy: -0.863
local terms energy: -178.861173
where:
bonds (distance) C4'-P energy: -30.969
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -36.530
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -54.732
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: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -518.825708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.825708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.825708 (E_RNA)
where:
Base-Base interactions energy: -360.271
where: short stacking energy: -171.126
Base-Backbone interact. energy: -0.036
local terms energy: -158.518561
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -34.007
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -46.954
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: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -501.695649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.695649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.695649 (E_RNA)
where:
Base-Base interactions energy: -344.577
where: short stacking energy: -161.728
Base-Backbone interact. energy: -1.363
local terms energy: -155.755652
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -35.350
flat angles P-C4'-P energy: -25.207
tors. eta vs tors. theta energy: -38.486
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: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -484.322358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.322358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.322358 (E_RNA)
where:
Base-Base interactions energy: -336.896
where: short stacking energy: -151.172
Base-Backbone interact. energy: -0.300
local terms energy: -147.126203
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -42.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -417.276215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.276215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.276215 (E_RNA)
where:
Base-Base interactions energy: -281.232
where: short stacking energy: -140.577
Base-Backbone interact. energy: -1.063
local terms energy: -134.981501
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -27.482
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -39.717
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: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -281.940931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.940931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.940931 (E_RNA)
where:
Base-Base interactions energy: -150.069
where: short stacking energy: -82.535
Base-Backbone interact. energy: -0.742
local terms energy: -131.129946
where:
bonds (distance) C4'-P energy: -25.374
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -33.046
flat angles P-C4'-P energy: -22.845
tors. eta vs tors. theta energy: -24.607
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: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -165.909253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.909253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.909253 (E_RNA)
where:
Base-Base interactions energy: -76.303
where: short stacking energy: -56.177
Base-Backbone interact. energy: -1.291
local terms energy: -88.315711
where:
bonds (distance) C4'-P energy: -23.446
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -173.714860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.714860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.714860 (E_RNA)
where:
Base-Base interactions energy: -97.615
where: short stacking energy: -61.777
Base-Backbone interact. energy: -0.424
local terms energy: -75.676004
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -4.237
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -591.719332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.719332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.719332 (E_RNA)
where:
Base-Base interactions energy: -413.804
where: short stacking energy: -183.768
Base-Backbone interact. energy: -1.235
local terms energy: -176.680872
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -32.551
flat angles C4'-P-C4' energy: -36.337
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -50.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -581.760916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.760916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.760916 (E_RNA)
where:
Base-Base interactions energy: -407.756
where: short stacking energy: -190.923
Base-Backbone interact. energy: -1.096
local terms energy: -172.908913
where:
bonds (distance) C4'-P energy: -24.736
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -35.686
flat angles P-C4'-P energy: -29.533
tors. eta vs tors. theta energy: -49.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -523.517345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.517345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.517345 (E_RNA)
where:
Base-Base interactions energy: -358.846
where: short stacking energy: -175.650
Base-Backbone interact. energy: -0.305
local terms energy: -164.365826
where:
bonds (distance) C4'-P energy: -24.827
bonds (distance) P-C4' energy: -33.778
flat angles C4'-P-C4' energy: -32.239
flat angles P-C4'-P energy: -22.193
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: 4, replica: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -521.315888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.315888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.315888 (E_RNA)
where:
Base-Base interactions energy: -354.400
where: short stacking energy: -161.943
Base-Backbone interact. energy: -1.384
local terms energy: -165.532494
where:
bonds (distance) C4'-P energy: -30.977
bonds (distance) P-C4' energy: -27.514
flat angles C4'-P-C4' energy: -39.214
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -46.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -497.003840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.003840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.003840 (E_RNA)
where:
Base-Base interactions energy: -340.645
where: short stacking energy: -151.036
Base-Backbone interact. energy: -2.225
local terms energy: -154.133682
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -34.489
flat angles P-C4'-P energy: -27.034
tors. eta vs tors. theta energy: -44.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -440.679390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.679390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.679390 (E_RNA)
where:
Base-Base interactions energy: -307.943
where: short stacking energy: -128.489
Base-Backbone interact. energy: -1.805
local terms energy: -130.931582
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -32.622
flat angles C4'-P-C4' energy: -33.923
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -32.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -467.022304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.022304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.022304 (E_RNA)
where:
Base-Base interactions energy: -315.499
where: short stacking energy: -152.251
Base-Backbone interact. energy: -0.185
local terms energy: -151.338036
where:
bonds (distance) C4'-P energy: -31.324
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -35.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -284.017960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.017960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.017960 (E_RNA)
where:
Base-Base interactions energy: -163.848
where: short stacking energy: -96.414
Base-Backbone interact. energy: -0.568
local terms energy: -119.602257
where:
bonds (distance) C4'-P energy: -25.039
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -25.339
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -179.916320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.916320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.916320 (E_RNA)
where:
Base-Base interactions energy: -73.616
where: short stacking energy: -65.772
Base-Backbone interact. energy: -0.144
local terms energy: -106.157250
where:
bonds (distance) C4'-P energy: -32.733
bonds (distance) P-C4' energy: -27.060
flat angles C4'-P-C4' energy: -32.821
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -8.197
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: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -158.603698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.603698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.603698 (E_RNA)
where:
Base-Base interactions energy: -65.178
where: short stacking energy: -56.758
Base-Backbone interact. energy: -0.545
local terms energy: -92.881069
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -28.932
flat angles C4'-P-C4' energy: -31.717
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: 4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -587.112135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.112135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.112135 (E_RNA)
where:
Base-Base interactions energy: -400.895
where: short stacking energy: -184.384
Base-Backbone interact. energy: -0.954
local terms energy: -185.262421
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -34.698
flat angles C4'-P-C4' energy: -37.063
flat angles P-C4'-P energy: -28.756
tors. eta vs tors. theta energy: -53.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -570.943819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.943819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.943819 (E_RNA)
where:
Base-Base interactions energy: -403.688
where: short stacking energy: -193.668
Base-Backbone interact. energy: 0.615
local terms energy: -167.871071
where:
bonds (distance) C4'-P energy: -28.579
bonds (distance) P-C4' energy: -30.874
flat angles C4'-P-C4' energy: -38.635
flat angles P-C4'-P energy: -18.152
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: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -526.891743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.891743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.891743 (E_RNA)
where:
Base-Base interactions energy: -367.397
where: short stacking energy: -179.522
Base-Backbone interact. energy: -0.049
local terms energy: -159.445337
where:
bonds (distance) C4'-P energy: -25.808
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -35.058
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -52.823
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: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -530.206598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.206598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.206598 (E_RNA)
where:
Base-Base interactions energy: -361.483
where: short stacking energy: -174.771
Base-Backbone interact. energy: -0.139
local terms energy: -168.585333
where:
bonds (distance) C4'-P energy: -30.306
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -27.204
tors. eta vs tors. theta energy: -48.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -491.710141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.710141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.710141 (E_RNA)
where:
Base-Base interactions energy: -334.242
where: short stacking energy: -157.428
Base-Backbone interact. energy: -1.177
local terms energy: -156.290727
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -48.048
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: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -464.642671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.642671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.642671 (E_RNA)
where:
Base-Base interactions energy: -313.704
where: short stacking energy: -132.691
Base-Backbone interact. energy: -1.351
local terms energy: -149.587770
where:
bonds (distance) C4'-P energy: -31.026
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -31.394
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -40.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -448.196467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.196467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.196467 (E_RNA)
where:
Base-Base interactions energy: -298.705
where: short stacking energy: -138.744
Base-Backbone interact. energy: -2.176
local terms energy: -147.315777
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -29.092
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -38.879
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: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -287.067112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.067112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.067112 (E_RNA)
where:
Base-Base interactions energy: -164.318
where: short stacking energy: -97.076
Base-Backbone interact. energy: -0.597
local terms energy: -122.152707
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -23.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -160.511167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.511167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.511167 (E_RNA)
where:
Base-Base interactions energy: -59.650
where: short stacking energy: -52.991
Base-Backbone interact. energy: -2.164
local terms energy: -98.696899
where:
bonds (distance) C4'-P energy: -35.590
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -5.693
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: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -171.501263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.501263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.501263 (E_RNA)
where:
Base-Base interactions energy: -80.922
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.245
local terms energy: -90.334763
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -29.140
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -590.137512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.137512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.137512 (E_RNA)
where:
Base-Base interactions energy: -413.793
where: short stacking energy: -180.371
Base-Backbone interact. energy: -0.243
local terms energy: -176.101192
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -35.198
flat angles P-C4'-P energy: -25.307
tors. eta vs tors. theta energy: -51.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -577.901916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.901916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.901916 (E_RNA)
where:
Base-Base interactions energy: -397.271
where: short stacking energy: -184.918
Base-Backbone interact. energy: -0.153
local terms energy: -180.478558
where:
bonds (distance) C4'-P energy: -32.053
bonds (distance) P-C4' energy: -31.299
flat angles C4'-P-C4' energy: -35.943
flat angles P-C4'-P energy: -29.083
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: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -533.787829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.787829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.787829 (E_RNA)
where:
Base-Base interactions energy: -358.334
where: short stacking energy: -175.150
Base-Backbone interact. energy: -0.184
local terms energy: -175.269482
where:
bonds (distance) C4'-P energy: -30.317
bonds (distance) P-C4' energy: -30.791
flat angles C4'-P-C4' energy: -38.208
flat angles P-C4'-P energy: -26.147
tors. eta vs tors. theta energy: -49.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -544.326907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.326907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.326907 (E_RNA)
where:
Base-Base interactions energy: -367.955
where: short stacking energy: -171.241
Base-Backbone interact. energy: -0.198
local terms energy: -176.174414
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -32.678
flat angles C4'-P-C4' energy: -34.745
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -52.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -491.600471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.600471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.600471 (E_RNA)
where:
Base-Base interactions energy: -333.811
where: short stacking energy: -151.279
Base-Backbone interact. energy: -0.770
local terms energy: -157.019745
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -36.078
flat angles C4'-P-C4' energy: -30.535
flat angles P-C4'-P energy: -19.879
tors. eta vs tors. theta energy: -43.388
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: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -454.956422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.956422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.956422 (E_RNA)
where:
Base-Base interactions energy: -318.029
where: short stacking energy: -137.888
Base-Backbone interact. energy: -0.371
local terms energy: -136.556342
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -35.051
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -40.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -432.380026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.380026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.380026 (E_RNA)
where:
Base-Base interactions energy: -301.917
where: short stacking energy: -128.724
Base-Backbone interact. energy: -0.649
local terms energy: -129.814075
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -25.732
flat angles C4'-P-C4' energy: -36.346
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -33.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -294.446593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.446593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.446593 (E_RNA)
where:
Base-Base interactions energy: -172.144
where: short stacking energy: -96.226
Base-Backbone interact. energy: -1.534
local terms energy: -120.769210
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -31.385
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -22.503
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: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -174.057672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.057672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.057672 (E_RNA)
where:
Base-Base interactions energy: -75.651
where: short stacking energy: -63.167
Base-Backbone interact. energy: -1.097
local terms energy: -97.309495
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -28.121
flat angles C4'-P-C4' energy: -26.488
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -153.974359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.974359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.974359 (E_RNA)
where:
Base-Base interactions energy: -72.606
where: short stacking energy: -67.731
Base-Backbone interact. energy: 0.106
local terms energy: -81.474722
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -26.891
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -12.464
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: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -591.684064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.684064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.684064 (E_RNA)
where:
Base-Base interactions energy: -407.391
where: short stacking energy: -180.354
Base-Backbone interact. energy: -0.080
local terms energy: -184.213085
where:
bonds (distance) C4'-P energy: -31.017
bonds (distance) P-C4' energy: -31.078
flat angles C4'-P-C4' energy: -38.626
flat angles P-C4'-P energy: -29.871
tors. eta vs tors. theta energy: -53.621
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: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -572.583004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.583004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.583004 (E_RNA)
where:
Base-Base interactions energy: -394.402
where: short stacking energy: -177.496
Base-Backbone interact. energy: -0.677
local terms energy: -177.503229
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -38.966
flat angles P-C4'-P energy: -23.185
tors. eta vs tors. theta energy: -49.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -542.957904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.957904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.957904 (E_RNA)
where:
Base-Base interactions energy: -373.392
where: short stacking energy: -172.837
Base-Backbone interact. energy: -0.707
local terms energy: -168.858323
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -35.232
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -50.970
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: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -524.009510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.009510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.009510 (E_RNA)
where:
Base-Base interactions energy: -350.885
where: short stacking energy: -176.316
Base-Backbone interact. energy: -0.095
local terms energy: -173.029862
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -30.018
flat angles C4'-P-C4' energy: -39.981
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -51.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -484.537724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.537724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.537724 (E_RNA)
where:
Base-Base interactions energy: -327.033
where: short stacking energy: -159.276
Base-Backbone interact. energy: -1.347
local terms energy: -156.157154
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -35.453
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -22.080
tors. eta vs tors. theta energy: -43.048
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: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -468.861784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.861784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.861784 (E_RNA)
where:
Base-Base interactions energy: -306.999
where: short stacking energy: -147.012
Base-Backbone interact. energy: -0.700
local terms energy: -161.162677
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -35.142
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -44.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -423.187834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.187834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.187834 (E_RNA)
where:
Base-Base interactions energy: -285.446
where: short stacking energy: -137.292
Base-Backbone interact. energy: -0.623
local terms energy: -137.118305
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -29.572
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -36.482
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: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -263.507282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.507282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.507282 (E_RNA)
where:
Base-Base interactions energy: -162.796
where: short stacking energy: -76.272
Base-Backbone interact. energy: 0.724
local terms energy: -101.435093
where:
bonds (distance) C4'-P energy: -27.724
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -174.595973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.595973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.595973 (E_RNA)
where:
Base-Base interactions energy: -73.556
where: short stacking energy: -63.698
Base-Backbone interact. energy: -0.510
local terms energy: -100.530471
where:
bonds (distance) C4'-P energy: -24.538
bonds (distance) P-C4' energy: -28.888
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -174.162680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.162680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.162680 (E_RNA)
where:
Base-Base interactions energy: -74.586
where: short stacking energy: -57.767
Base-Backbone interact. energy: -0.865
local terms energy: -98.712214
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -32.053
flat angles C4'-P-C4' energy: -23.981
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -5.284
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: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -589.667985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.667985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.667985 (E_RNA)
where:
Base-Base interactions energy: -405.944
where: short stacking energy: -179.176
Base-Backbone interact. energy: -0.036
local terms energy: -183.688145
where:
bonds (distance) C4'-P energy: -32.096
bonds (distance) P-C4' energy: -35.643
flat angles C4'-P-C4' energy: -36.793
flat angles P-C4'-P energy: -27.299
tors. eta vs tors. theta energy: -51.858
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: 337
Temperature: 0.950000
Total energy: -584.990548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.990548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.990548 (E_RNA)
where:
Base-Base interactions energy: -408.113
where: short stacking energy: -187.905
Base-Backbone interact. energy: 0.522
local terms energy: -177.399594
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -37.976
flat angles P-C4'-P energy: -24.991
tors. eta vs tors. theta energy: -52.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -554.085398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.085398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.085398 (E_RNA)
where:
Base-Base interactions energy: -384.870
where: short stacking energy: -174.759
Base-Backbone interact. energy: -1.568
local terms energy: -167.647528
where:
bonds (distance) C4'-P energy: -34.927
bonds (distance) P-C4' energy: -28.347
flat angles C4'-P-C4' energy: -32.323
flat angles P-C4'-P energy: -24.810
tors. eta vs tors. theta energy: -47.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -519.859852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.859852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.859852 (E_RNA)
where:
Base-Base interactions energy: -338.138
where: short stacking energy: -165.637
Base-Backbone interact. energy: -0.467
local terms energy: -181.255357
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -36.464
flat angles C4'-P-C4' energy: -40.000
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -52.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -471.869579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.869579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.869579 (E_RNA)
where:
Base-Base interactions energy: -324.393
where: short stacking energy: -154.462
Base-Backbone interact. energy: -1.125
local terms energy: -146.350870
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -31.123
flat angles C4'-P-C4' energy: -33.864
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -39.091
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: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -491.873454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.873454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.873454 (E_RNA)
where:
Base-Base interactions energy: -332.973
where: short stacking energy: -160.515
Base-Backbone interact. energy: -0.593
local terms energy: -158.307863
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -26.990
tors. eta vs tors. theta energy: -45.348
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: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -419.431162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.431162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.431162 (E_RNA)
where:
Base-Base interactions energy: -280.696
where: short stacking energy: -129.212
Base-Backbone interact. energy: 0.264
local terms energy: -138.998847
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -33.169
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -37.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -182.038136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.038136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.038136 (E_RNA)
where:
Base-Base interactions energy: -65.312
where: short stacking energy: -64.109
Base-Backbone interact. energy: -0.282
local terms energy: -116.444053
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -24.347
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -8.896
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: 337
Temperature: 1.300000
Total energy: -274.692674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.692674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.692674 (E_RNA)
where:
Base-Base interactions energy: -170.440
where: short stacking energy: -76.732
Base-Backbone interact. energy: -0.870
local terms energy: -103.382904
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -162.805106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.805106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.805106 (E_RNA)
where:
Base-Base interactions energy: -71.622
where: short stacking energy: -51.884
Base-Backbone interact. energy: 0.277
local terms energy: -91.459868
where:
bonds (distance) C4'-P energy: -30.056
bonds (distance) P-C4' energy: -27.711
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: 0.709
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: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -589.767080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.767080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.767080 (E_RNA)
where:
Base-Base interactions energy: -410.018
where: short stacking energy: -184.340
Base-Backbone interact. energy: -0.954
local terms energy: -178.795070
where:
bonds (distance) C4'-P energy: -29.589
bonds (distance) P-C4' energy: -35.082
flat angles C4'-P-C4' energy: -39.308
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -55.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -575.202169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.202169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.202169 (E_RNA)
where:
Base-Base interactions energy: -400.198
where: short stacking energy: -185.809
Base-Backbone interact. energy: -0.829
local terms energy: -174.174320
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -37.555
flat angles P-C4'-P energy: -26.585
tors. eta vs tors. theta energy: -47.471
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: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -532.732842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.732842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.732842 (E_RNA)
where:
Base-Base interactions energy: -364.389
where: short stacking energy: -165.933
Base-Backbone interact. energy: -0.953
local terms energy: -167.390480
where:
bonds (distance) C4'-P energy: -28.443
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -37.975
flat angles P-C4'-P energy: -19.162
tors. eta vs tors. theta energy: -50.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -513.416323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.416323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.416323 (E_RNA)
where:
Base-Base interactions energy: -341.130
where: short stacking energy: -161.748
Base-Backbone interact. energy: -0.687
local terms energy: -171.598979
where:
bonds (distance) C4'-P energy: -34.460
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -37.674
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: -45.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -480.184451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.184451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.184451 (E_RNA)
where:
Base-Base interactions energy: -333.576
where: short stacking energy: -154.774
Base-Backbone interact. energy: -0.661
local terms energy: -145.947332
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -24.625
tors. eta vs tors. theta energy: -41.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -465.068003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.068003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.068003 (E_RNA)
where:
Base-Base interactions energy: -311.342
where: short stacking energy: -142.223
Base-Backbone interact. energy: -0.238
local terms energy: -153.487361
where:
bonds (distance) C4'-P energy: -32.163
bonds (distance) P-C4' energy: -27.555
flat angles C4'-P-C4' energy: -32.716
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -37.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -440.949626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.949626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.949626 (E_RNA)
where:
Base-Base interactions energy: -300.593
where: short stacking energy: -137.734
Base-Backbone interact. energy: -1.071
local terms energy: -139.285268
where:
bonds (distance) C4'-P energy: -27.396
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -32.952
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -36.613
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: 338
Temperature: 1.250000
Total energy: -204.817795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.817795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.817795 (E_RNA)
where:
Base-Base interactions energy: -95.547
where: short stacking energy: -93.768
Base-Backbone interact. energy: -0.279
local terms energy: -108.991621
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -26.557
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -280.100926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.100926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.100926 (E_RNA)
where:
Base-Base interactions energy: -167.223
where: short stacking energy: -86.659
Base-Backbone interact. energy: -0.767
local terms energy: -112.111432
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -28.395
flat angles C4'-P-C4' energy: -33.374
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -148.736062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.736062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.736062 (E_RNA)
where:
Base-Base interactions energy: -66.010
where: short stacking energy: -63.540
Base-Backbone interact. energy: 2.035
local terms energy: -84.760764
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -591.489864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.489864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.489864 (E_RNA)
where:
Base-Base interactions energy: -407.641
where: short stacking energy: -186.718
Base-Backbone interact. energy: -0.767
local terms energy: -183.081807
where:
bonds (distance) C4'-P energy: -32.983
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -38.392
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -51.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -578.306054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.306054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.306054 (E_RNA)
where:
Base-Base interactions energy: -399.782
where: short stacking energy: -180.857
Base-Backbone interact. energy: -2.066
local terms energy: -176.457655
where:
bonds (distance) C4'-P energy: -33.302
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -41.007
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: -48.317
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: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -530.874088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.874088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.874088 (E_RNA)
where:
Base-Base interactions energy: -363.015
where: short stacking energy: -177.077
Base-Backbone interact. energy: 1.334
local terms energy: -169.193183
where:
bonds (distance) C4'-P energy: -28.006
bonds (distance) P-C4' energy: -28.388
flat angles C4'-P-C4' energy: -35.641
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -52.487
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: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -526.828221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.828221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.828221 (E_RNA)
where:
Base-Base interactions energy: -355.973
where: short stacking energy: -164.954
Base-Backbone interact. energy: -0.531
local terms energy: -170.323386
where:
bonds (distance) C4'-P energy: -31.179
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -32.982
flat angles P-C4'-P energy: -22.955
tors. eta vs tors. theta energy: -50.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -497.168450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.168450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.168450 (E_RNA)
where:
Base-Base interactions energy: -333.971
where: short stacking energy: -155.829
Base-Backbone interact. energy: -1.348
local terms energy: -161.849746
where:
bonds (distance) C4'-P energy: -33.804
bonds (distance) P-C4' energy: -33.403
flat angles C4'-P-C4' energy: -30.413
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -42.804
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: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -460.857754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.857754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.857754 (E_RNA)
where:
Base-Base interactions energy: -312.946
where: short stacking energy: -159.794
Base-Backbone interact. energy: 0.600
local terms energy: -148.511846
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -36.249
flat angles P-C4'-P energy: -25.750
tors. eta vs tors. theta energy: -37.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -462.292677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.292677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.292677 (E_RNA)
where:
Base-Base interactions energy: -314.347
where: short stacking energy: -134.410
Base-Backbone interact. energy: -0.278
local terms energy: -147.667616
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -35.299
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -39.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -302.058372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.058372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.058372 (E_RNA)
where:
Base-Base interactions energy: -186.138
where: short stacking energy: -110.395
Base-Backbone interact. energy: -1.585
local terms energy: -114.335131
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -14.808
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: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -167.202941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.202941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.202941 (E_RNA)
where:
Base-Base interactions energy: -66.201
where: short stacking energy: -65.751
Base-Backbone interact. energy: 0.117
local terms energy: -101.119024
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -22.208
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -154.708813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.708813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.708813 (E_RNA)
where:
Base-Base interactions energy: -57.030
where: short stacking energy: -46.166
Base-Backbone interact. energy: -0.495
local terms energy: -97.184220
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -3.644
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: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -584.588701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.588701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.588701 (E_RNA)
where:
Base-Base interactions energy: -409.024
where: short stacking energy: -183.742
Base-Backbone interact. energy: -0.246
local terms energy: -175.318048
where:
bonds (distance) C4'-P energy: -28.384
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -38.252
flat angles P-C4'-P energy: -26.788
tors. eta vs tors. theta energy: -52.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -574.158791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.158791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.158791 (E_RNA)
where:
Base-Base interactions energy: -406.018
where: short stacking energy: -180.970
Base-Backbone interact. energy: -1.158
local terms energy: -166.982758
where:
bonds (distance) C4'-P energy: -32.648
bonds (distance) P-C4' energy: -28.791
flat angles C4'-P-C4' energy: -32.245
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -50.153
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: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -518.437303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.437303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.437303 (E_RNA)
where:
Base-Base interactions energy: -348.553
where: short stacking energy: -162.908
Base-Backbone interact. energy: -1.045
local terms energy: -168.839465
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -35.933
flat angles C4'-P-C4' energy: -31.411
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -52.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -518.822189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.822189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.822189 (E_RNA)
where:
Base-Base interactions energy: -354.581
where: short stacking energy: -164.874
Base-Backbone interact. energy: 0.568
local terms energy: -164.809621
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -31.990
flat angles C4'-P-C4' energy: -35.566
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -47.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -467.119886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.119886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.119886 (E_RNA)
where:
Base-Base interactions energy: -318.062
where: short stacking energy: -135.093
Base-Backbone interact. energy: 0.595
local terms energy: -149.652702
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -26.789
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: -38.078
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: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -438.586121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.586121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.586121 (E_RNA)
where:
Base-Base interactions energy: -298.165
where: short stacking energy: -149.137
Base-Backbone interact. energy: -1.503
local terms energy: -138.918727
where:
bonds (distance) C4'-P energy: -27.235
bonds (distance) P-C4' energy: -31.602
flat angles C4'-P-C4' energy: -28.365
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -32.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -462.763536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.763536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.763536 (E_RNA)
where:
Base-Base interactions energy: -309.629
where: short stacking energy: -136.074
Base-Backbone interact. energy: -0.110
local terms energy: -153.024062
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -35.350
flat angles P-C4'-P energy: -22.480
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: 340
Temperature: 1.250000
Total energy: -274.248496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.248496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.248496 (E_RNA)
where:
Base-Base interactions energy: -157.546
where: short stacking energy: -98.873
Base-Backbone interact. energy: -0.992
local terms energy: -115.710969
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -29.471
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -170.506228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.506228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.506228 (E_RNA)
where:
Base-Base interactions energy: -82.597
where: short stacking energy: -69.936
Base-Backbone interact. energy: 1.132
local terms energy: -89.041426
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -32.142
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -174.923503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.923503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.923503 (E_RNA)
where:
Base-Base interactions energy: -84.608
where: short stacking energy: -50.150
Base-Backbone interact. energy: 0.771
local terms energy: -91.085909
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -29.793
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: 5.455
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: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -590.672580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.672580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.672580 (E_RNA)
where:
Base-Base interactions energy: -416.105
where: short stacking energy: -190.541
Base-Backbone interact. energy: -0.207
local terms energy: -174.360372
where:
bonds (distance) C4'-P energy: -31.547
bonds (distance) P-C4' energy: -32.113
flat angles C4'-P-C4' energy: -35.855
flat angles P-C4'-P energy: -22.648
tors. eta vs tors. theta energy: -52.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -571.191293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.191293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.191293 (E_RNA)
where:
Base-Base interactions energy: -392.029
where: short stacking energy: -189.871
Base-Backbone interact. energy: -0.580
local terms energy: -178.582769
where:
bonds (distance) C4'-P energy: -30.876
bonds (distance) P-C4' energy: -35.175
flat angles C4'-P-C4' energy: -37.128
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -52.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -523.885064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.885064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.885064 (E_RNA)
where:
Base-Base interactions energy: -360.961
where: short stacking energy: -164.455
Base-Backbone interact. energy: -0.309
local terms energy: -162.615393
where:
bonds (distance) C4'-P energy: -24.948
bonds (distance) P-C4' energy: -29.561
flat angles C4'-P-C4' energy: -31.740
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -47.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -516.802352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.802352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.802352 (E_RNA)
where:
Base-Base interactions energy: -351.204
where: short stacking energy: -165.922
Base-Backbone interact. energy: -0.933
local terms energy: -164.665284
where:
bonds (distance) C4'-P energy: -23.123
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -33.305
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -46.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -465.616732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.616732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.616732 (E_RNA)
where:
Base-Base interactions energy: -312.315
where: short stacking energy: -153.348
Base-Backbone interact. energy: -0.956
local terms energy: -152.344821
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -28.838
flat angles C4'-P-C4' energy: -31.730
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -36.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -489.072343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.072343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.072343 (E_RNA)
where:
Base-Base interactions energy: -336.517
where: short stacking energy: -146.863
Base-Backbone interact. energy: -0.785
local terms energy: -151.769824
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -32.793
flat angles C4'-P-C4' energy: -30.736
flat angles P-C4'-P energy: -17.204
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: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -462.196140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.196140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.196140 (E_RNA)
where:
Base-Base interactions energy: -303.867
where: short stacking energy: -142.742
Base-Backbone interact. energy: -1.194
local terms energy: -157.135779
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -34.908
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -42.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -270.838857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.838857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.838857 (E_RNA)
where:
Base-Base interactions energy: -152.875
where: short stacking energy: -78.229
Base-Backbone interact. energy: -1.914
local terms energy: -116.049706
where:
bonds (distance) C4'-P energy: -32.243
bonds (distance) P-C4' energy: -27.143
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -160.284004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.284004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.284004 (E_RNA)
where:
Base-Base interactions energy: -64.496
where: short stacking energy: -35.190
Base-Backbone interact. energy: -0.092
local terms energy: -95.696043
where:
bonds (distance) C4'-P energy: -30.566
bonds (distance) P-C4' energy: -32.982
flat angles C4'-P-C4' energy: -24.927
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -159.158211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.158211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.158211 (E_RNA)
where:
Base-Base interactions energy: -67.097
where: short stacking energy: -63.196
Base-Backbone interact. energy: -0.448
local terms energy: -91.613442
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -578.677440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.677440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.677440 (E_RNA)
where:
Base-Base interactions energy: -401.807
where: short stacking energy: -172.493
Base-Backbone interact. energy: -0.064
local terms energy: -176.806066
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -34.415
flat angles C4'-P-C4' energy: -36.410
flat angles P-C4'-P energy: -26.782
tors. eta vs tors. theta energy: -48.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -585.001676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.001676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.001676 (E_RNA)
where:
Base-Base interactions energy: -412.244
where: short stacking energy: -177.652
Base-Backbone interact. energy: -0.510
local terms energy: -172.248241
where:
bonds (distance) C4'-P energy: -33.579
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -34.166
flat angles P-C4'-P energy: -24.216
tors. eta vs tors. theta energy: -49.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -534.533462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.533462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.533462 (E_RNA)
where:
Base-Base interactions energy: -360.338
where: short stacking energy: -163.598
Base-Backbone interact. energy: -1.733
local terms energy: -172.463089
where:
bonds (distance) C4'-P energy: -34.997
bonds (distance) P-C4' energy: -30.040
flat angles C4'-P-C4' energy: -38.597
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -44.162
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: 4, replica: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -492.698957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.698957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.698957 (E_RNA)
where:
Base-Base interactions energy: -341.497
where: short stacking energy: -154.041
Base-Backbone interact. energy: -1.451
local terms energy: -149.751075
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -34.086
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -43.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -482.614520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.614520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.614520 (E_RNA)
where:
Base-Base interactions energy: -336.187
where: short stacking energy: -161.434
Base-Backbone interact. energy: -0.147
local terms energy: -146.280457
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -34.388
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -39.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -481.961811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.961811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.961811 (E_RNA)
where:
Base-Base interactions energy: -317.032
where: short stacking energy: -156.491
Base-Backbone interact. energy: -0.607
local terms energy: -164.322748
where:
bonds (distance) C4'-P energy: -29.066
bonds (distance) P-C4' energy: -33.448
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -42.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -474.322447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.322447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.322447 (E_RNA)
where:
Base-Base interactions energy: -322.208
where: short stacking energy: -151.316
Base-Backbone interact. energy: -0.941
local terms energy: -151.173807
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -43.460
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: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -276.694269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.694269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.694269 (E_RNA)
where:
Base-Base interactions energy: -150.390
where: short stacking energy: -92.950
Base-Backbone interact. energy: -0.125
local terms energy: -126.178827
where:
bonds (distance) C4'-P energy: -26.644
bonds (distance) P-C4' energy: -29.742
flat angles C4'-P-C4' energy: -26.591
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -167.149623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.149623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.149623 (E_RNA)
where:
Base-Base interactions energy: -75.243
where: short stacking energy: -66.384
Base-Backbone interact. energy: -0.523
local terms energy: -91.383440
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -26.781
flat angles C4'-P-C4' energy: -27.692
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -155.759791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.759791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.759791 (E_RNA)
where:
Base-Base interactions energy: -56.936
where: short stacking energy: -45.960
Base-Backbone interact. energy: -0.337
local terms energy: -98.487315
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -5.749
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: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -587.559279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.559279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.559279 (E_RNA)
where:
Base-Base interactions energy: -403.343
where: short stacking energy: -175.254
Base-Backbone interact. energy: -0.474
local terms energy: -183.742079
where:
bonds (distance) C4'-P energy: -32.892
bonds (distance) P-C4' energy: -34.901
flat angles C4'-P-C4' energy: -36.315
flat angles P-C4'-P energy: -29.551
tors. eta vs tors. theta energy: -50.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -582.695959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.695959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.695959 (E_RNA)
where:
Base-Base interactions energy: -417.052
where: short stacking energy: -191.725
Base-Backbone interact. energy: -0.004
local terms energy: -165.639675
where:
bonds (distance) C4'-P energy: -33.567
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -28.781
flat angles P-C4'-P energy: -26.402
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: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -531.764174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.764174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.764174 (E_RNA)
where:
Base-Base interactions energy: -358.103
where: short stacking energy: -176.597
Base-Backbone interact. energy: 0.440
local terms energy: -174.101251
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -34.114
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -28.636
tors. eta vs tors. theta energy: -49.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -512.496683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.496683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.496683 (E_RNA)
where:
Base-Base interactions energy: -349.218
where: short stacking energy: -157.261
Base-Backbone interact. energy: -0.683
local terms energy: -162.595632
where:
bonds (distance) C4'-P energy: -30.175
bonds (distance) P-C4' energy: -32.777
flat angles C4'-P-C4' energy: -31.618
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -47.468
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: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -495.224041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.224041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.224041 (E_RNA)
where:
Base-Base interactions energy: -337.634
where: short stacking energy: -156.361
Base-Backbone interact. energy: -0.676
local terms energy: -156.913970
where:
bonds (distance) C4'-P energy: -32.028
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -35.925
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -39.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -467.104882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.104882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.104882 (E_RNA)
where:
Base-Base interactions energy: -323.213
where: short stacking energy: -143.536
Base-Backbone interact. energy: -0.129
local terms energy: -143.762966
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -30.605
flat angles P-C4'-P energy: -21.793
tors. eta vs tors. theta energy: -38.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -442.595712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.595712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.595712 (E_RNA)
where:
Base-Base interactions energy: -298.686
where: short stacking energy: -148.492
Base-Backbone interact. energy: -0.345
local terms energy: -143.564208
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -26.155
flat angles C4'-P-C4' energy: -32.534
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -36.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -259.291509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.291509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.291509 (E_RNA)
where:
Base-Base interactions energy: -149.208
where: short stacking energy: -97.539
Base-Backbone interact. energy: -0.779
local terms energy: -109.305028
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -24.576
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -187.305410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.305410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.305410 (E_RNA)
where:
Base-Base interactions energy: -73.087
where: short stacking energy: -66.636
Base-Backbone interact. energy: -0.513
local terms energy: -113.705424
where:
bonds (distance) C4'-P energy: -31.535
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -12.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -167.045628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.045628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.045628 (E_RNA)
where:
Base-Base interactions energy: -76.909
where: short stacking energy: -68.140
Base-Backbone interact. energy: -0.315
local terms energy: -89.821774
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -33.609
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -575.860481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.860481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.860481 (E_RNA)
where:
Base-Base interactions energy: -395.062
where: short stacking energy: -183.408
Base-Backbone interact. energy: -0.774
local terms energy: -180.024751
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -30.497
flat angles C4'-P-C4' energy: -35.471
flat angles P-C4'-P energy: -30.295
tors. eta vs tors. theta energy: -50.606
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: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -578.296645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.296645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.296645 (E_RNA)
where:
Base-Base interactions energy: -397.768
where: short stacking energy: -177.191
Base-Backbone interact. energy: -0.101
local terms energy: -180.427309
where:
bonds (distance) C4'-P energy: -33.874
bonds (distance) P-C4' energy: -30.581
flat angles C4'-P-C4' energy: -38.823
flat angles P-C4'-P energy: -25.995
tors. eta vs tors. theta energy: -51.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -546.210192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.210192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.210192 (E_RNA)
where:
Base-Base interactions energy: -381.998
where: short stacking energy: -182.811
Base-Backbone interact. energy: -1.270
local terms energy: -162.942497
where:
bonds (distance) C4'-P energy: -25.347
bonds (distance) P-C4' energy: -29.101
flat angles C4'-P-C4' energy: -31.463
flat angles P-C4'-P energy: -24.195
tors. eta vs tors. theta energy: -52.836
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: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -511.046053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.046053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.046053 (E_RNA)
where:
Base-Base interactions energy: -344.553
where: short stacking energy: -164.925
Base-Backbone interact. energy: 0.028
local terms energy: -166.520931
where:
bonds (distance) C4'-P energy: -28.168
bonds (distance) P-C4' energy: -30.259
flat angles C4'-P-C4' energy: -35.078
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -50.412
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: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -456.053149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.053149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.053149 (E_RNA)
where:
Base-Base interactions energy: -307.487
where: short stacking energy: -150.098
Base-Backbone interact. energy: -0.500
local terms energy: -148.066875
where:
bonds (distance) C4'-P energy: -30.773
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -32.867
flat angles P-C4'-P energy: -25.206
tors. eta vs tors. theta energy: -34.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -469.785339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.785339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.785339 (E_RNA)
where:
Base-Base interactions energy: -316.185
where: short stacking energy: -147.160
Base-Backbone interact. energy: 0.050
local terms energy: -153.650720
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -32.158
flat angles C4'-P-C4' energy: -32.427
flat angles P-C4'-P energy: -19.667
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: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -452.143339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.143339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.143339 (E_RNA)
where:
Base-Base interactions energy: -299.664
where: short stacking energy: -150.329
Base-Backbone interact. energy: -0.666
local terms energy: -151.813065
where:
bonds (distance) C4'-P energy: -36.022
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -30.618
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -42.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -305.683050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.683050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.683050 (E_RNA)
where:
Base-Base interactions energy: -194.250
where: short stacking energy: -93.539
Base-Backbone interact. energy: -0.201
local terms energy: -111.231738
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -32.797
flat angles C4'-P-C4' energy: -23.981
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -16.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -173.469338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.469338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.469338 (E_RNA)
where:
Base-Base interactions energy: -77.155
where: short stacking energy: -58.777
Base-Backbone interact. energy: 0.081
local terms energy: -96.395453
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -19.201
tors. eta vs tors. theta energy: -4.974
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: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -150.822738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.822738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.822738 (E_RNA)
where:
Base-Base interactions energy: -47.856
where: short stacking energy: -41.044
Base-Backbone interact. energy: -1.069
local terms energy: -101.897780
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -27.995
flat angles C4'-P-C4' energy: -27.325
flat angles P-C4'-P energy: -13.957
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: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -576.508374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.508374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.508374 (E_RNA)
where:
Base-Base interactions energy: -401.798
where: short stacking energy: -185.917
Base-Backbone interact. energy: -0.318
local terms energy: -174.393244
where:
bonds (distance) C4'-P energy: -32.414
bonds (distance) P-C4' energy: -32.216
flat angles C4'-P-C4' energy: -31.958
flat angles P-C4'-P energy: -26.183
tors. eta vs tors. theta energy: -51.622
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: 345
Temperature: 0.950000
Total energy: -580.958273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.958273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.958273 (E_RNA)
where:
Base-Base interactions energy: -407.154
where: short stacking energy: -180.643
Base-Backbone interact. energy: 1.341
local terms energy: -175.145516
where:
bonds (distance) C4'-P energy: -26.669
bonds (distance) P-C4' energy: -32.862
flat angles C4'-P-C4' energy: -37.283
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -55.287
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: 345
Temperature: 1.000000
Total energy: -529.625301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.625301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.625301 (E_RNA)
where:
Base-Base interactions energy: -358.482
where: short stacking energy: -160.466
Base-Backbone interact. energy: 0.737
local terms energy: -171.879691
where:
bonds (distance) C4'-P energy: -37.140
bonds (distance) P-C4' energy: -29.944
flat angles C4'-P-C4' energy: -35.536
flat angles P-C4'-P energy: -26.463
tors. eta vs tors. theta energy: -42.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -515.463026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.463026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.463026 (E_RNA)
where:
Base-Base interactions energy: -357.681
where: short stacking energy: -168.872
Base-Backbone interact. energy: -0.842
local terms energy: -156.939629
where:
bonds (distance) C4'-P energy: -29.734
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -45.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -465.798664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.798664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.798664 (E_RNA)
where:
Base-Base interactions energy: -306.496
where: short stacking energy: -151.692
Base-Backbone interact. energy: -1.649
local terms energy: -157.654047
where:
bonds (distance) C4'-P energy: -34.349
bonds (distance) P-C4' energy: -28.904
flat angles C4'-P-C4' energy: -26.280
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -43.061
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: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -458.523818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.523818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.523818 (E_RNA)
where:
Base-Base interactions energy: -319.299
where: short stacking energy: -154.600
Base-Backbone interact. energy: 0.433
local terms energy: -139.657876
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -27.636
flat angles C4'-P-C4' energy: -25.616
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -38.038
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: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -457.888659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.888659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.888659 (E_RNA)
where:
Base-Base interactions energy: -315.439
where: short stacking energy: -149.960
Base-Backbone interact. energy: -0.794
local terms energy: -141.655744
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -33.350
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -43.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -339.177268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.177268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.177268 (E_RNA)
where:
Base-Base interactions energy: -216.735
where: short stacking energy: -106.990
Base-Backbone interact. energy: 0.227
local terms energy: -122.669829
where:
bonds (distance) C4'-P energy: -27.135
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -25.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -222.947276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.947276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.947276 (E_RNA)
where:
Base-Base interactions energy: -115.660
where: short stacking energy: -77.729
Base-Backbone interact. energy: -0.267
local terms energy: -107.019984
where:
bonds (distance) C4'-P energy: -29.791
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -151.035832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.035832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.035832 (E_RNA)
where:
Base-Base interactions energy: -67.736
where: short stacking energy: -63.635
Base-Backbone interact. energy: 3.898
local terms energy: -87.198214
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: 0.166
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: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -585.676207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.676207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.676207 (E_RNA)
where:
Base-Base interactions energy: -413.928
where: short stacking energy: -192.290
Base-Backbone interact. energy: -0.181
local terms energy: -171.566836
where:
bonds (distance) C4'-P energy: -32.773
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -35.123
flat angles P-C4'-P energy: -25.356
tors. eta vs tors. theta energy: -54.212
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: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -572.694954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.694954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.694954 (E_RNA)
where:
Base-Base interactions energy: -397.824
where: short stacking energy: -187.183
Base-Backbone interact. energy: -1.090
local terms energy: -173.780178
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -29.317
flat angles C4'-P-C4' energy: -35.822
flat angles P-C4'-P energy: -27.726
tors. eta vs tors. theta energy: -52.360
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: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -535.632212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.632212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.632212 (E_RNA)
where:
Base-Base interactions energy: -370.810
where: short stacking energy: -174.357
Base-Backbone interact. energy: -1.095
local terms energy: -163.727292
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -30.566
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -48.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -524.443343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.443343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.443343 (E_RNA)
where:
Base-Base interactions energy: -359.397
where: short stacking energy: -159.209
Base-Backbone interact. energy: -1.008
local terms energy: -164.039298
where:
bonds (distance) C4'-P energy: -25.694
bonds (distance) P-C4' energy: -33.000
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -24.894
tors. eta vs tors. theta energy: -47.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -493.931113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.931113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.931113 (E_RNA)
where:
Base-Base interactions energy: -326.679
where: short stacking energy: -156.663
Base-Backbone interact. energy: 1.064
local terms energy: -168.315620
where:
bonds (distance) C4'-P energy: -31.928
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -36.708
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -43.556
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: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -445.353718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.353718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.353718 (E_RNA)
where:
Base-Base interactions energy: -309.843
where: short stacking energy: -137.173
Base-Backbone interact. energy: -0.121
local terms energy: -135.389769
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -34.618
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -32.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -469.802375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.802375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.802375 (E_RNA)
where:
Base-Base interactions energy: -311.777
where: short stacking energy: -161.674
Base-Backbone interact. energy: -0.033
local terms energy: -157.991984
where:
bonds (distance) C4'-P energy: -26.714
bonds (distance) P-C4' energy: -27.453
flat angles C4'-P-C4' energy: -33.294
flat angles P-C4'-P energy: -24.801
tors. eta vs tors. theta energy: -45.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -378.198107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.198107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.198107 (E_RNA)
where:
Base-Base interactions energy: -245.933
where: short stacking energy: -124.998
Base-Backbone interact. energy: -1.086
local terms energy: -131.179172
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -32.596
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: 9, replica: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -185.092673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.092673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.092673 (E_RNA)
where:
Base-Base interactions energy: -72.703
where: short stacking energy: -64.335
Base-Backbone interact. energy: 0.125
local terms energy: -112.514199
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -32.894
flat angles C4'-P-C4' energy: -24.087
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -158.372485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.372485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.372485 (E_RNA)
where:
Base-Base interactions energy: -64.553
where: short stacking energy: -47.913
Base-Backbone interact. energy: -0.030
local terms energy: -93.789248
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: 1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -585.260340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.260340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.260340 (E_RNA)
where:
Base-Base interactions energy: -406.836
where: short stacking energy: -190.059
Base-Backbone interact. energy: -0.054
local terms energy: -178.370190
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -34.548
flat angles C4'-P-C4' energy: -39.932
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: -52.977
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: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -568.666415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.666415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.666415 (E_RNA)
where:
Base-Base interactions energy: -395.417
where: short stacking energy: -172.117
Base-Backbone interact. energy: -0.070
local terms energy: -173.178485
where:
bonds (distance) C4'-P energy: -28.041
bonds (distance) P-C4' energy: -29.775
flat angles C4'-P-C4' energy: -38.913
flat angles P-C4'-P energy: -24.411
tors. eta vs tors. theta energy: -52.039
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: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -543.009895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.009895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.009895 (E_RNA)
where:
Base-Base interactions energy: -377.274
where: short stacking energy: -178.067
Base-Backbone interact. energy: -0.289
local terms energy: -165.447303
where:
bonds (distance) C4'-P energy: -25.648
bonds (distance) P-C4' energy: -35.030
flat angles C4'-P-C4' energy: -36.378
flat angles P-C4'-P energy: -21.290
tors. eta vs tors. theta energy: -47.101
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: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -527.660955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.660955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.660955 (E_RNA)
where:
Base-Base interactions energy: -362.043
where: short stacking energy: -166.188
Base-Backbone interact. energy: -1.281
local terms energy: -164.335985
where:
bonds (distance) C4'-P energy: -26.251
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -37.647
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -51.994
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: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -497.874787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.874787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.874787 (E_RNA)
where:
Base-Base interactions energy: -335.440
where: short stacking energy: -163.944
Base-Backbone interact. energy: -0.746
local terms energy: -161.689218
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -33.637
flat angles P-C4'-P energy: -25.652
tors. eta vs tors. theta energy: -48.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -470.044696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.044696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.044696 (E_RNA)
where:
Base-Base interactions energy: -304.285
where: short stacking energy: -136.348
Base-Backbone interact. energy: -1.190
local terms energy: -164.569433
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -28.650
flat angles C4'-P-C4' energy: -40.809
flat angles P-C4'-P energy: -29.088
tors. eta vs tors. theta energy: -45.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -425.559019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.559019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.559019 (E_RNA)
where:
Base-Base interactions energy: -291.016
where: short stacking energy: -116.833
Base-Backbone interact. energy: -0.978
local terms energy: -133.565274
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -28.303
flat angles C4'-P-C4' energy: -29.698
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -26.801
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: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -350.715206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.715206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.715206 (E_RNA)
where:
Base-Base interactions energy: -222.490
where: short stacking energy: -116.222
Base-Backbone interact. energy: -0.318
local terms energy: -127.907813
where:
bonds (distance) C4'-P energy: -22.666
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -20.868
tors. eta vs tors. theta energy: -27.516
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: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -172.855091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.855091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.855091 (E_RNA)
where:
Base-Base interactions energy: -81.113
where: short stacking energy: -57.644
Base-Backbone interact. energy: -0.363
local terms energy: -91.378988
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -25.444
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -174.803329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.803329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.803329 (E_RNA)
where:
Base-Base interactions energy: -74.724
where: short stacking energy: -66.723
Base-Backbone interact. energy: -0.418
local terms energy: -99.660700
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -28.392
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -581.537517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.537517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.537517 (E_RNA)
where:
Base-Base interactions energy: -406.225
where: short stacking energy: -183.167
Base-Backbone interact. energy: -0.218
local terms energy: -175.094278
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -35.033
flat angles P-C4'-P energy: -30.657
tors. eta vs tors. theta energy: -51.951
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: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -573.854155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.854155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.854155 (E_RNA)
where:
Base-Base interactions energy: -394.594
where: short stacking energy: -174.818
Base-Backbone interact. energy: -0.055
local terms energy: -179.205659
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -32.240
flat angles C4'-P-C4' energy: -40.512
flat angles P-C4'-P energy: -28.426
tors. eta vs tors. theta energy: -50.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -539.080910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.080910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.080910 (E_RNA)
where:
Base-Base interactions energy: -368.010
where: short stacking energy: -166.166
Base-Backbone interact. energy: -0.335
local terms energy: -170.735909
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -37.362
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -51.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -506.633805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.633805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.633805 (E_RNA)
where:
Base-Base interactions energy: -344.027
where: short stacking energy: -171.032
Base-Backbone interact. energy: -0.052
local terms energy: -162.554380
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -38.555
flat angles C4'-P-C4' energy: -25.558
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -49.863
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: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -473.833876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.833876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.833876 (E_RNA)
where:
Base-Base interactions energy: -316.231
where: short stacking energy: -145.954
Base-Backbone interact. energy: -1.217
local terms energy: -156.385546
where:
bonds (distance) C4'-P energy: -33.891
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -36.046
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -40.770
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: 348
Temperature: 1.150000
Total energy: -476.261348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.261348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.261348 (E_RNA)
where:
Base-Base interactions energy: -318.969
where: short stacking energy: -153.784
Base-Backbone interact. energy: -0.739
local terms energy: -156.553892
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -28.564
flat angles C4'-P-C4' energy: -34.145
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -46.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -343.601978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.601978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.601978 (E_RNA)
where:
Base-Base interactions energy: -231.444
where: short stacking energy: -110.552
Base-Backbone interact. energy: -0.185
local terms energy: -111.972537
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -388.834182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.834182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.834182 (E_RNA)
where:
Base-Base interactions energy: -257.632
where: short stacking energy: -118.375
Base-Backbone interact. energy: -1.304
local terms energy: -129.899096
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -32.541
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -159.386207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.386207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.386207 (E_RNA)
where:
Base-Base interactions energy: -50.715
where: short stacking energy: -44.332
Base-Backbone interact. energy: -0.540
local terms energy: -108.131382
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -29.283
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -165.346349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.346349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.346349 (E_RNA)
where:
Base-Base interactions energy: -61.210
where: short stacking energy: -58.849
Base-Backbone interact. energy: -1.184
local terms energy: -102.952354
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -31.721
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -4.093
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: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -578.522505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.522505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.522505 (E_RNA)
where:
Base-Base interactions energy: -400.669
where: short stacking energy: -176.894
Base-Backbone interact. energy: -0.195
local terms energy: -177.658111
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -37.276
flat angles C4'-P-C4' energy: -36.490
flat angles P-C4'-P energy: -27.200
tors. eta vs tors. theta energy: -46.817
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: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -533.272211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.272211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.272211 (E_RNA)
where:
Base-Base interactions energy: -349.215
where: short stacking energy: -163.241
Base-Backbone interact. energy: -0.308
local terms energy: -183.749610
where:
bonds (distance) C4'-P energy: -34.652
bonds (distance) P-C4' energy: -39.589
flat angles C4'-P-C4' energy: -37.097
flat angles P-C4'-P energy: -26.726
tors. eta vs tors. theta energy: -45.685
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: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -563.113552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.113552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.113552 (E_RNA)
where:
Base-Base interactions energy: -396.362
where: short stacking energy: -172.291
Base-Backbone interact. energy: -0.271
local terms energy: -166.481072
where:
bonds (distance) C4'-P energy: -25.263
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -39.160
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -48.372
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: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -514.760479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.760479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.760479 (E_RNA)
where:
Base-Base interactions energy: -353.329
where: short stacking energy: -181.087
Base-Backbone interact. energy: -0.191
local terms energy: -161.239659
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -32.038
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -45.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -503.877787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.877787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.877787 (E_RNA)
where:
Base-Base interactions energy: -347.962
where: short stacking energy: -156.886
Base-Backbone interact. energy: -0.967
local terms energy: -154.948583
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -27.344
flat angles C4'-P-C4' energy: -31.904
flat angles P-C4'-P energy: -24.409
tors. eta vs tors. theta energy: -43.294
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: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -412.579473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.579473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.579473 (E_RNA)
where:
Base-Base interactions energy: -272.674
where: short stacking energy: -137.781
Base-Backbone interact. energy: -0.335
local terms energy: -139.571056
where:
bonds (distance) C4'-P energy: -31.872
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -36.693
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: 349
Temperature: 1.200000
Total energy: -459.736665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.736665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.736665 (E_RNA)
where:
Base-Base interactions energy: -319.414
where: short stacking energy: -147.980
Base-Backbone interact. energy: -0.496
local terms energy: -139.825795
where:
bonds (distance) C4'-P energy: -26.479
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -31.441
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -34.121
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: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -413.805662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.805662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.805662 (E_RNA)
where:
Base-Base interactions energy: -271.658
where: short stacking energy: -125.733
Base-Backbone interact. energy: -0.065
local terms energy: -142.082162
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -34.759
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -34.584
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: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -158.475790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.475790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.475790 (E_RNA)
where:
Base-Base interactions energy: -62.761
where: short stacking energy: -47.744
Base-Backbone interact. energy: -0.414
local terms energy: -95.301037
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -28.867
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: 1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -170.096339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.096339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.096339 (E_RNA)
where:
Base-Base interactions energy: -61.616
where: short stacking energy: -61.105
Base-Backbone interact. energy: -0.161
local terms energy: -108.318797
where:
bonds (distance) C4'-P energy: -26.407
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -30.190
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -579.916753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.916753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.916753 (E_RNA)
where:
Base-Base interactions energy: -396.611
where: short stacking energy: -180.749
Base-Backbone interact. energy: -0.255
local terms energy: -183.051089
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -36.005
flat angles C4'-P-C4' energy: -39.753
flat angles P-C4'-P energy: -26.864
tors. eta vs tors. theta energy: -49.683
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: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -544.053449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.053449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.053449 (E_RNA)
where:
Base-Base interactions energy: -375.989
where: short stacking energy: -176.710
Base-Backbone interact. energy: 2.129
local terms energy: -170.192759
where:
bonds (distance) C4'-P energy: -30.872
bonds (distance) P-C4' energy: -33.931
flat angles C4'-P-C4' energy: -34.430
flat angles P-C4'-P energy: -22.955
tors. eta vs tors. theta energy: -48.005
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: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -565.635751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.635751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.635751 (E_RNA)
where:
Base-Base interactions energy: -394.407
where: short stacking energy: -174.957
Base-Backbone interact. energy: -0.309
local terms energy: -170.920051
where:
bonds (distance) C4'-P energy: -27.256
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -35.677
flat angles P-C4'-P energy: -27.142
tors. eta vs tors. theta energy: -50.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -513.941311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.941311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.941311 (E_RNA)
where:
Base-Base interactions energy: -352.675
where: short stacking energy: -164.373
Base-Backbone interact. energy: -1.021
local terms energy: -160.245367
where:
bonds (distance) C4'-P energy: -32.044
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -32.616
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -45.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -482.422916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.422916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.422916 (E_RNA)
where:
Base-Base interactions energy: -330.325
where: short stacking energy: -154.170
Base-Backbone interact. energy: -0.517
local terms energy: -151.580670
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -33.143
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -38.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -399.345461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.345461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.345461 (E_RNA)
where:
Base-Base interactions energy: -258.985
where: short stacking energy: -108.907
Base-Backbone interact. energy: -0.743
local terms energy: -139.617110
where:
bonds (distance) C4'-P energy: -27.163
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -33.814
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -27.983
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: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -433.662438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.662438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.662438 (E_RNA)
where:
Base-Base interactions energy: -296.717
where: short stacking energy: -143.862
Base-Backbone interact. energy: -0.010
local terms energy: -136.935927
where:
bonds (distance) C4'-P energy: -31.175
bonds (distance) P-C4' energy: -26.506
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -36.588
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: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -401.177690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.177690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.177690 (E_RNA)
where:
Base-Base interactions energy: -259.692
where: short stacking energy: -118.121
Base-Backbone interact. energy: -2.142
local terms energy: -139.344033
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -28.816
flat angles C4'-P-C4' energy: -28.901
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -32.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -161.871173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.871173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.871173 (E_RNA)
where:
Base-Base interactions energy: -81.956
where: short stacking energy: -67.128
Base-Backbone interact. energy: 0.481
local terms energy: -80.395633
where:
bonds (distance) C4'-P energy: -24.938
bonds (distance) P-C4' energy: -26.957
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: 0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -147.371063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.371063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.371063 (E_RNA)
where:
Base-Base interactions energy: -54.394
where: short stacking energy: -48.757
Base-Backbone interact. energy: 1.876
local terms energy: -94.852531
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -24.185
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -8.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -590.611291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.611291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.611291 (E_RNA)
where:
Base-Base interactions energy: -412.128
where: short stacking energy: -191.966
Base-Backbone interact. energy: -0.109
local terms energy: -178.374225
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -34.753
flat angles P-C4'-P energy: -25.984
tors. eta vs tors. theta energy: -50.994
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: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -548.860693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.860693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.860693 (E_RNA)
where:
Base-Base interactions energy: -361.690
where: short stacking energy: -176.221
Base-Backbone interact. energy: -0.428
local terms energy: -186.742719
where:
bonds (distance) C4'-P energy: -37.813
bonds (distance) P-C4' energy: -38.078
flat angles C4'-P-C4' energy: -38.795
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -48.703
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: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -558.854250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.854250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.854250 (E_RNA)
where:
Base-Base interactions energy: -382.847
where: short stacking energy: -172.195
Base-Backbone interact. energy: -0.960
local terms energy: -175.047585
where:
bonds (distance) C4'-P energy: -39.594
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -35.883
flat angles P-C4'-P energy: -26.198
tors. eta vs tors. theta energy: -47.575
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: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -514.448675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.448675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.448675 (E_RNA)
where:
Base-Base interactions energy: -356.139
where: short stacking energy: -165.871
Base-Backbone interact. energy: -0.838
local terms energy: -157.471835
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -49.648
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: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -495.045418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.045418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.045418 (E_RNA)
where:
Base-Base interactions energy: -327.304
where: short stacking energy: -160.828
Base-Backbone interact. energy: -0.476
local terms energy: -167.265053
where:
bonds (distance) C4'-P energy: -28.040
bonds (distance) P-C4' energy: -28.225
flat angles C4'-P-C4' energy: -36.583
flat angles P-C4'-P energy: -28.280
tors. eta vs tors. theta energy: -46.136
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: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -438.234750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.234750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.234750 (E_RNA)
where:
Base-Base interactions energy: -302.338
where: short stacking energy: -153.071
Base-Backbone interact. energy: 0.141
local terms energy: -136.038454
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -29.286
flat angles P-C4'-P energy: -22.122
tors. eta vs tors. theta energy: -39.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -392.599663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.599663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.599663 (E_RNA)
where:
Base-Base interactions energy: -251.255
where: short stacking energy: -134.862
Base-Backbone interact. energy: 1.895
local terms energy: -143.238740
where:
bonds (distance) C4'-P energy: -31.008
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -22.284
tors. eta vs tors. theta energy: -33.232
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: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -399.671458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.671458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.671458 (E_RNA)
where:
Base-Base interactions energy: -274.722
where: short stacking energy: -123.731
Base-Backbone interact. energy: -1.014
local terms energy: -123.935490
where:
bonds (distance) C4'-P energy: -29.021
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -26.997
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: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -217.436285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.436285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.436285 (E_RNA)
where:
Base-Base interactions energy: -114.156
where: short stacking energy: -70.953
Base-Backbone interact. energy: 2.094
local terms energy: -105.373706
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -30.696
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -3.660
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: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -194.199742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.199742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.199742 (E_RNA)
where:
Base-Base interactions energy: -101.667
where: short stacking energy: -59.142
Base-Backbone interact. energy: -2.133
local terms energy: -90.399359
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -28.465
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: 4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -569.573304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.573304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.573304 (E_RNA)
where:
Base-Base interactions energy: -398.063
where: short stacking energy: -178.844
Base-Backbone interact. energy: -0.288
local terms energy: -171.222376
where:
bonds (distance) C4'-P energy: -32.057
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -28.889
tors. eta vs tors. theta energy: -50.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -519.805251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.805251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.805251 (E_RNA)
where:
Base-Base interactions energy: -355.951
where: short stacking energy: -163.790
Base-Backbone interact. energy: 0.822
local terms energy: -164.675905
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -31.077
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -46.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -566.435005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.435005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.435005 (E_RNA)
where:
Base-Base interactions energy: -397.038
where: short stacking energy: -170.436
Base-Backbone interact. energy: -0.704
local terms energy: -168.693475
where:
bonds (distance) C4'-P energy: -28.032
bonds (distance) P-C4' energy: -32.726
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -23.261
tors. eta vs tors. theta energy: -49.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -514.585617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.585617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.585617 (E_RNA)
where:
Base-Base interactions energy: -342.325
where: short stacking energy: -170.321
Base-Backbone interact. energy: -0.278
local terms energy: -171.983267
where:
bonds (distance) C4'-P energy: -32.600
bonds (distance) P-C4' energy: -33.894
flat angles C4'-P-C4' energy: -30.391
flat angles P-C4'-P energy: -23.134
tors. eta vs tors. theta energy: -51.964
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: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -498.459921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.459921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.459921 (E_RNA)
where:
Base-Base interactions energy: -332.298
where: short stacking energy: -154.632
Base-Backbone interact. energy: -1.012
local terms energy: -165.149678
where:
bonds (distance) C4'-P energy: -34.822
bonds (distance) P-C4' energy: -34.255
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -40.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -459.021438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.021438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.021438 (E_RNA)
where:
Base-Base interactions energy: -301.107
where: short stacking energy: -147.638
Base-Backbone interact. energy: -1.018
local terms energy: -156.896819
where:
bonds (distance) C4'-P energy: -33.395
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -31.557
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -42.089
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: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -401.180784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.180784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.180784 (E_RNA)
where:
Base-Base interactions energy: -265.787
where: short stacking energy: -119.835
Base-Backbone interact. energy: -1.373
local terms energy: -134.021154
where:
bonds (distance) C4'-P energy: -25.332
bonds (distance) P-C4' energy: -33.848
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -25.267
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: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -376.415699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.415699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.415699 (E_RNA)
where:
Base-Base interactions energy: -240.557
where: short stacking energy: -114.755
Base-Backbone interact. energy: -1.073
local terms energy: -134.786198
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -30.637
flat angles C4'-P-C4' energy: -30.499
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -28.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -186.155546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.155546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.155546 (E_RNA)
where:
Base-Base interactions energy: -84.109
where: short stacking energy: -45.738
Base-Backbone interact. energy: 0.671
local terms energy: -102.717189
where:
bonds (distance) C4'-P energy: -25.630
bonds (distance) P-C4' energy: -34.973
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -162.367631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.367631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.367631 (E_RNA)
where:
Base-Base interactions energy: -62.150
where: short stacking energy: -49.397
Base-Backbone interact. energy: -0.004
local terms energy: -100.213601
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -32.116
flat angles C4'-P-C4' energy: -23.941
flat angles P-C4'-P energy: -18.112
tors. eta vs tors. theta energy: -4.858
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: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -595.872859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.872859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.872859 (E_RNA)
where:
Base-Base interactions energy: -407.844
where: short stacking energy: -182.000
Base-Backbone interact. energy: -1.083
local terms energy: -186.945248
where:
bonds (distance) C4'-P energy: -34.673
bonds (distance) P-C4' energy: -36.410
flat angles C4'-P-C4' energy: -36.069
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -54.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -577.534681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.534681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.534681 (E_RNA)
where:
Base-Base interactions energy: -409.457
where: short stacking energy: -186.174
Base-Backbone interact. energy: -0.165
local terms energy: -167.912801
where:
bonds (distance) C4'-P energy: -29.290
bonds (distance) P-C4' energy: -25.639
flat angles C4'-P-C4' energy: -37.668
flat angles P-C4'-P energy: -24.587
tors. eta vs tors. theta energy: -50.729
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: 3, replica: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -543.349444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.349444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.349444 (E_RNA)
where:
Base-Base interactions energy: -367.915
where: short stacking energy: -163.183
Base-Backbone interact. energy: -0.387
local terms energy: -175.047568
where:
bonds (distance) C4'-P energy: -28.133
bonds (distance) P-C4' energy: -30.519
flat angles C4'-P-C4' energy: -38.001
flat angles P-C4'-P energy: -27.669
tors. eta vs tors. theta energy: -50.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -480.150459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.150459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.150459 (E_RNA)
where:
Base-Base interactions energy: -333.176
where: short stacking energy: -141.934
Base-Backbone interact. energy: -0.302
local terms energy: -146.673004
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -29.692
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -42.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -512.580455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.580455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.580455 (E_RNA)
where:
Base-Base interactions energy: -344.299
where: short stacking energy: -154.113
Base-Backbone interact. energy: -0.529
local terms energy: -167.752499
where:
bonds (distance) C4'-P energy: -29.958
bonds (distance) P-C4' energy: -30.912
flat angles C4'-P-C4' energy: -31.959
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: -48.880
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: 353
Temperature: 1.150000
Total energy: -457.833455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.833455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.833455 (E_RNA)
where:
Base-Base interactions energy: -306.462
where: short stacking energy: -133.236
Base-Backbone interact. energy: -0.908
local terms energy: -150.463284
where:
bonds (distance) C4'-P energy: -31.780
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -34.389
flat angles P-C4'-P energy: -21.704
tors. eta vs tors. theta energy: -37.529
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: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -407.157579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.157579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.157579 (E_RNA)
where:
Base-Base interactions energy: -284.119
where: short stacking energy: -128.754
Base-Backbone interact. energy: 0.224
local terms energy: -123.263016
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -30.544
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -29.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -359.213296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.213296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.213296 (E_RNA)
where:
Base-Base interactions energy: -221.191
where: short stacking energy: -98.408
Base-Backbone interact. energy: -2.842
local terms energy: -135.180372
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -32.239
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -30.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -164.287335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.287335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.287335 (E_RNA)
where:
Base-Base interactions energy: -69.089
where: short stacking energy: -50.749
Base-Backbone interact. energy: -0.164
local terms energy: -95.034287
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -33.431
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -157.800658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.800658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.800658 (E_RNA)
where:
Base-Base interactions energy: -79.822
where: short stacking energy: -32.549
Base-Backbone interact. energy: -1.897
local terms energy: -76.082261
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -31.774
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: 6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -594.010898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.010898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.010898 (E_RNA)
where:
Base-Base interactions energy: -406.019
where: short stacking energy: -186.314
Base-Backbone interact. energy: -0.501
local terms energy: -187.491306
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -36.705
flat angles C4'-P-C4' energy: -37.831
flat angles P-C4'-P energy: -29.547
tors. eta vs tors. theta energy: -52.928
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: 354
Temperature: 0.950000
Total energy: -576.300487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.300487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.300487 (E_RNA)
where:
Base-Base interactions energy: -388.135
where: short stacking energy: -184.150
Base-Backbone interact. energy: -0.271
local terms energy: -187.893995
where:
bonds (distance) C4'-P energy: -37.307
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -36.614
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -53.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -517.334539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.334539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.334539 (E_RNA)
where:
Base-Base interactions energy: -359.448
where: short stacking energy: -158.437
Base-Backbone interact. energy: 0.284
local terms energy: -158.169725
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -36.054
flat angles P-C4'-P energy: -26.084
tors. eta vs tors. theta energy: -37.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -493.242604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.242604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.242604 (E_RNA)
where:
Base-Base interactions energy: -329.326
where: short stacking energy: -154.222
Base-Backbone interact. energy: -0.091
local terms energy: -163.825297
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -36.448
flat angles C4'-P-C4' energy: -34.702
flat angles P-C4'-P energy: -23.070
tors. eta vs tors. theta energy: -43.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -503.142836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.142836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.142836 (E_RNA)
where:
Base-Base interactions energy: -340.251
where: short stacking energy: -163.083
Base-Backbone interact. energy: -0.837
local terms energy: -162.054968
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -31.497
flat angles C4'-P-C4' energy: -35.718
flat angles P-C4'-P energy: -25.480
tors. eta vs tors. theta energy: -43.968
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: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -459.397575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.397575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.397575 (E_RNA)
where:
Base-Base interactions energy: -320.213
where: short stacking energy: -146.614
Base-Backbone interact. energy: 1.781
local terms energy: -140.966176
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -26.785
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -41.725
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: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -442.207702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.207702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.207702 (E_RNA)
where:
Base-Base interactions energy: -305.075
where: short stacking energy: -144.379
Base-Backbone interact. energy: 0.827
local terms energy: -137.960014
where:
bonds (distance) C4'-P energy: -24.401
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -29.327
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -34.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -353.461237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.461237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.461237 (E_RNA)
where:
Base-Base interactions energy: -221.112
where: short stacking energy: -113.942
Base-Backbone interact. energy: -0.537
local terms energy: -131.811844
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -36.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -243.949234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.949234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.949234 (E_RNA)
where:
Base-Base interactions energy: -133.353
where: short stacking energy: -71.408
Base-Backbone interact. energy: -0.463
local terms energy: -110.132822
where:
bonds (distance) C4'-P energy: -31.602
bonds (distance) P-C4' energy: -29.759
flat angles C4'-P-C4' energy: -27.807
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -8.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -148.446382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.446382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.446382 (E_RNA)
where:
Base-Base interactions energy: -56.971
where: short stacking energy: -47.272
Base-Backbone interact. energy: -0.375
local terms energy: -91.100533
where:
bonds (distance) C4'-P energy: -26.420
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -19.706
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: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -586.992056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.992056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.992056 (E_RNA)
where:
Base-Base interactions energy: -409.170
where: short stacking energy: -191.044
Base-Backbone interact. energy: -0.172
local terms energy: -177.650249
where:
bonds (distance) C4'-P energy: -28.285
bonds (distance) P-C4' energy: -34.514
flat angles C4'-P-C4' energy: -35.155
flat angles P-C4'-P energy: -26.705
tors. eta vs tors. theta energy: -52.991
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: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -578.242979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.242979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.242979 (E_RNA)
where:
Base-Base interactions energy: -399.968
where: short stacking energy: -181.864
Base-Backbone interact. energy: -0.499
local terms energy: -177.776588
where:
bonds (distance) C4'-P energy: -27.009
bonds (distance) P-C4' energy: -35.461
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -52.721
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: 355
Temperature: 1.000000
Total energy: -499.041697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.041697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.041697 (E_RNA)
where:
Base-Base interactions energy: -340.117
where: short stacking energy: -167.229
Base-Backbone interact. energy: 0.937
local terms energy: -159.861864
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -31.180
flat angles C4'-P-C4' energy: -32.460
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -42.737
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: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -523.345479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.345479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.345479 (E_RNA)
where:
Base-Base interactions energy: -355.844
where: short stacking energy: -166.554
Base-Backbone interact. energy: -1.463
local terms energy: -166.037860
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -34.807
flat angles C4'-P-C4' energy: -35.127
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -45.128
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: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -501.955235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.955235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.955235 (E_RNA)
where:
Base-Base interactions energy: -339.287
where: short stacking energy: -145.123
Base-Backbone interact. energy: -0.380
local terms energy: -162.287332
where:
bonds (distance) C4'-P energy: -32.554
bonds (distance) P-C4' energy: -32.428
flat angles C4'-P-C4' energy: -35.176
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -41.460
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: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -457.030601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.030601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.030601 (E_RNA)
where:
Base-Base interactions energy: -306.395
where: short stacking energy: -153.116
Base-Backbone interact. energy: -0.043
local terms energy: -150.592750
where:
bonds (distance) C4'-P energy: -29.128
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -37.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -405.894297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.894297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.894297 (E_RNA)
where:
Base-Base interactions energy: -274.166
where: short stacking energy: -117.630
Base-Backbone interact. energy: -0.829
local terms energy: -130.899784
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -28.013
flat angles C4'-P-C4' energy: -31.150
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -28.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -375.214115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.214115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.214115 (E_RNA)
where:
Base-Base interactions energy: -248.841
where: short stacking energy: -129.178
Base-Backbone interact. energy: -1.557
local terms energy: -124.816279
where:
bonds (distance) C4'-P energy: -28.824
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -27.977
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -27.142
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: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -235.591293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.591293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.591293 (E_RNA)
where:
Base-Base interactions energy: -135.316
where: short stacking energy: -77.616
Base-Backbone interact. energy: -0.424
local terms energy: -99.851069
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -8.615
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: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -164.811128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.811128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.811128 (E_RNA)
where:
Base-Base interactions energy: -61.881
where: short stacking energy: -55.185
Base-Backbone interact. energy: -0.232
local terms energy: -102.697863
where:
bonds (distance) C4'-P energy: -30.400
bonds (distance) P-C4' energy: -26.397
flat angles C4'-P-C4' energy: -29.248
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -586.758882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.758882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.758882 (E_RNA)
where:
Base-Base interactions energy: -401.850
where: short stacking energy: -193.454
Base-Backbone interact. energy: -1.512
local terms energy: -183.396440
where:
bonds (distance) C4'-P energy: -32.340
bonds (distance) P-C4' energy: -37.141
flat angles C4'-P-C4' energy: -38.305
flat angles P-C4'-P energy: -24.039
tors. eta vs tors. theta energy: -51.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -573.811858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.811858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.811858 (E_RNA)
where:
Base-Base interactions energy: -401.519
where: short stacking energy: -183.028
Base-Backbone interact. energy: -0.487
local terms energy: -171.806271
where:
bonds (distance) C4'-P energy: -31.932
bonds (distance) P-C4' energy: -28.735
flat angles C4'-P-C4' energy: -32.928
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -53.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -540.429866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.429866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.429866 (E_RNA)
where:
Base-Base interactions energy: -369.311
where: short stacking energy: -165.627
Base-Backbone interact. energy: -0.798
local terms energy: -170.320329
where:
bonds (distance) C4'-P energy: -32.955
bonds (distance) P-C4' energy: -33.513
flat angles C4'-P-C4' energy: -38.348
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: -42.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -496.852782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.852782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.852782 (E_RNA)
where:
Base-Base interactions energy: -338.408
where: short stacking energy: -157.415
Base-Backbone interact. energy: -0.078
local terms energy: -158.366901
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -37.653
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -44.053
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: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -518.325263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.325263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.325263 (E_RNA)
where:
Base-Base interactions energy: -363.033
where: short stacking energy: -170.586
Base-Backbone interact. energy: -1.786
local terms energy: -153.506216
where:
bonds (distance) C4'-P energy: -31.467
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -47.148
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: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -437.900832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.900832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.900832 (E_RNA)
where:
Base-Base interactions energy: -296.645
where: short stacking energy: -128.522
Base-Backbone interact. energy: -2.397
local terms energy: -138.858793
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -28.791
flat angles C4'-P-C4' energy: -27.795
flat angles P-C4'-P energy: -25.843
tors. eta vs tors. theta energy: -30.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -363.767515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.767515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.767515 (E_RNA)
where:
Base-Base interactions energy: -232.573
where: short stacking energy: -128.763
Base-Backbone interact. energy: -0.410
local terms energy: -130.784397
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -31.723
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -26.713
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: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -341.567157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.567157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.567157 (E_RNA)
where:
Base-Base interactions energy: -228.572
where: short stacking energy: -105.320
Base-Backbone interact. energy: -0.498
local terms energy: -112.497277
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -29.621
flat angles P-C4'-P energy: -18.847
tors. eta vs tors. theta energy: -16.596
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: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -261.826333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.826333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.826333 (E_RNA)
where:
Base-Base interactions energy: -139.163
where: short stacking energy: -79.678
Base-Backbone interact. energy: -0.196
local terms energy: -122.466682
where:
bonds (distance) C4'-P energy: -28.577
bonds (distance) P-C4' energy: -26.915
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -10.475
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: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -162.126774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.126774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.126774 (E_RNA)
where:
Base-Base interactions energy: -65.244
where: short stacking energy: -53.639
Base-Backbone interact. energy: 2.979
local terms energy: -99.861818
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -17.277
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -584.800407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.800407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.800407 (E_RNA)
where:
Base-Base interactions energy: -410.004
where: short stacking energy: -174.973
Base-Backbone interact. energy: -1.725
local terms energy: -173.071133
where:
bonds (distance) C4'-P energy: -32.260
bonds (distance) P-C4' energy: -32.297
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -50.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -579.231106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.231106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.231106 (E_RNA)
where:
Base-Base interactions energy: -417.122
where: short stacking energy: -195.330
Base-Backbone interact. energy: 0.251
local terms energy: -162.359994
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -25.598
tors. eta vs tors. theta energy: -50.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -533.582557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.582557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.582557 (E_RNA)
where:
Base-Base interactions energy: -367.545
where: short stacking energy: -174.425
Base-Backbone interact. energy: -1.237
local terms energy: -164.801422
where:
bonds (distance) C4'-P energy: -29.817
bonds (distance) P-C4' energy: -30.051
flat angles C4'-P-C4' energy: -40.333
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -46.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -536.947421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.947421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.947421 (E_RNA)
where:
Base-Base interactions energy: -361.524
where: short stacking energy: -167.913
Base-Backbone interact. energy: -0.332
local terms energy: -175.091295
where:
bonds (distance) C4'-P energy: -33.221
bonds (distance) P-C4' energy: -35.103
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: -48.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -485.531036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.531036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.531036 (E_RNA)
where:
Base-Base interactions energy: -333.865
where: short stacking energy: -159.301
Base-Backbone interact. energy: -0.655
local terms energy: -151.010410
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -31.877
flat angles C4'-P-C4' energy: -36.542
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -42.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -467.403564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.403564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.403564 (E_RNA)
where:
Base-Base interactions energy: -303.661
where: short stacking energy: -144.097
Base-Backbone interact. energy: -0.384
local terms energy: -163.358542
where:
bonds (distance) C4'-P energy: -35.769
bonds (distance) P-C4' energy: -36.957
flat angles C4'-P-C4' energy: -29.726
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -37.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -358.156756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.156756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.156756 (E_RNA)
where:
Base-Base interactions energy: -232.565
where: short stacking energy: -104.313
Base-Backbone interact. energy: -0.672
local terms energy: -124.919637
where:
bonds (distance) C4'-P energy: -32.246
bonds (distance) P-C4' energy: -24.077
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -18.175
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -258.436278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.436278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.436278 (E_RNA)
where:
Base-Base interactions energy: -137.633
where: short stacking energy: -76.120
Base-Backbone interact. energy: 0.663
local terms energy: -121.465534
where:
bonds (distance) C4'-P energy: -26.986
bonds (distance) P-C4' energy: -34.153
flat angles C4'-P-C4' energy: -29.978
flat angles P-C4'-P energy: -20.183
tors. eta vs tors. theta energy: -10.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -280.253096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.253096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.253096 (E_RNA)
where:
Base-Base interactions energy: -164.688
where: short stacking energy: -96.609
Base-Backbone interact. energy: -0.684
local terms energy: -114.882003
where:
bonds (distance) C4'-P energy: -29.772
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -16.875
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: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -162.237848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.237848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.237848 (E_RNA)
where:
Base-Base interactions energy: -74.006
where: short stacking energy: -45.505
Base-Backbone interact. energy: 0.326
local terms energy: -88.556944
where:
bonds (distance) C4'-P energy: -32.131
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -19.519
tors. eta vs tors. theta energy: 2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -577.799892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.799892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.799892 (E_RNA)
where:
Base-Base interactions energy: -398.952
where: short stacking energy: -173.817
Base-Backbone interact. energy: -0.586
local terms energy: -178.262517
where:
bonds (distance) C4'-P energy: -32.888
bonds (distance) P-C4' energy: -34.621
flat angles C4'-P-C4' energy: -37.663
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -48.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -579.389200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.389200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.389200 (E_RNA)
where:
Base-Base interactions energy: -404.722
where: short stacking energy: -192.763
Base-Backbone interact. energy: -0.028
local terms energy: -174.639473
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -32.636
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -24.613
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: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -539.727753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.727753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.727753 (E_RNA)
where:
Base-Base interactions energy: -368.491
where: short stacking energy: -175.166
Base-Backbone interact. energy: -0.737
local terms energy: -170.500053
where:
bonds (distance) C4'-P energy: -34.373
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: -46.273
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: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -528.087995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.087995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.087995 (E_RNA)
where:
Base-Base interactions energy: -356.624
where: short stacking energy: -173.031
Base-Backbone interact. energy: -0.970
local terms energy: -170.494313
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -30.501
flat angles C4'-P-C4' energy: -36.114
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -48.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -437.722768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.722768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.722768 (E_RNA)
where:
Base-Base interactions energy: -288.267
where: short stacking energy: -147.321
Base-Backbone interact. energy: -1.348
local terms energy: -148.108380
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -31.899
flat angles C4'-P-C4' energy: -31.118
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -37.396
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: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -496.553627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.553627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.553627 (E_RNA)
where:
Base-Base interactions energy: -329.273
where: short stacking energy: -154.408
Base-Backbone interact. energy: -1.065
local terms energy: -166.214751
where:
bonds (distance) C4'-P energy: -30.107
bonds (distance) P-C4' energy: -26.239
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -51.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -345.652280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.652280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.652280 (E_RNA)
where:
Base-Base interactions energy: -211.153
where: short stacking energy: -108.287
Base-Backbone interact. energy: 1.772
local terms energy: -136.271410
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -31.451
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -24.575
tors. eta vs tors. theta energy: -22.266
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: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -249.557360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.557360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.557360 (E_RNA)
where:
Base-Base interactions energy: -136.910
where: short stacking energy: -79.239
Base-Backbone interact. energy: 2.733
local terms energy: -115.379647
where:
bonds (distance) C4'-P energy: -29.026
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -29.179
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -12.024
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: 358
Temperature: 1.300000
Total energy: -270.688788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.688788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.688788 (E_RNA)
where:
Base-Base interactions energy: -147.958
where: short stacking energy: -88.095
Base-Backbone interact. energy: 0.042
local terms energy: -122.772271
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -31.446
flat angles C4'-P-C4' energy: -32.736
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -165.650781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.650781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.650781 (E_RNA)
where:
Base-Base interactions energy: -68.681
where: short stacking energy: -56.930
Base-Backbone interact. energy: -0.297
local terms energy: -96.672888
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -23.180
flat angles C4'-P-C4' energy: -31.239
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -7.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -582.704195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.704195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.704195 (E_RNA)
where:
Base-Base interactions energy: -394.599
where: short stacking energy: -187.636
Base-Backbone interact. energy: -1.002
local terms energy: -187.102707
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -37.045
flat angles C4'-P-C4' energy: -37.315
flat angles P-C4'-P energy: -29.712
tors. eta vs tors. theta energy: -51.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -556.998236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.998236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.998236 (E_RNA)
where:
Base-Base interactions energy: -384.411
where: short stacking energy: -180.701
Base-Backbone interact. energy: -1.376
local terms energy: -171.212097
where:
bonds (distance) C4'-P energy: -36.196
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -35.802
flat angles P-C4'-P energy: -27.927
tors. eta vs tors. theta energy: -48.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -579.122388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.122388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.122388 (E_RNA)
where:
Base-Base interactions energy: -405.844
where: short stacking energy: -180.982
Base-Backbone interact. energy: -1.075
local terms energy: -172.203337
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -35.150
flat angles C4'-P-C4' energy: -37.782
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: -51.791
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: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -518.933612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.933612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.933612 (E_RNA)
where:
Base-Base interactions energy: -362.668
where: short stacking energy: -159.651
Base-Backbone interact. energy: -0.795
local terms energy: -155.470927
where:
bonds (distance) C4'-P energy: -31.352
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -47.722
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: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -501.716177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.716177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.716177 (E_RNA)
where:
Base-Base interactions energy: -347.245
where: short stacking energy: -154.337
Base-Backbone interact. energy: -0.011
local terms energy: -154.459965
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -34.924
flat angles P-C4'-P energy: -25.828
tors. eta vs tors. theta energy: -44.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -473.027184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.027184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.027184 (E_RNA)
where:
Base-Base interactions energy: -314.960
where: short stacking energy: -146.276
Base-Backbone interact. energy: -1.443
local terms energy: -156.623362
where:
bonds (distance) C4'-P energy: -32.117
bonds (distance) P-C4' energy: -26.591
flat angles C4'-P-C4' energy: -31.852
flat angles P-C4'-P energy: -20.632
tors. eta vs tors. theta energy: -45.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -339.930304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.930304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.930304 (E_RNA)
where:
Base-Base interactions energy: -210.391
where: short stacking energy: -110.813
Base-Backbone interact. energy: -1.584
local terms energy: -127.954663
where:
bonds (distance) C4'-P energy: -31.324
bonds (distance) P-C4' energy: -31.452
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -18.821
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: 7
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -264.639779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.639779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.639779 (E_RNA)
where:
Base-Base interactions energy: -137.658
where: short stacking energy: -68.968
Base-Backbone interact. energy: 0.230
local terms energy: -127.211610
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -30.620
flat angles C4'-P-C4' energy: -30.269
flat angles P-C4'-P energy: -26.564
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -248.796508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.796508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.796508 (E_RNA)
where:
Base-Base interactions energy: -148.005
where: short stacking energy: -86.017
Base-Backbone interact. energy: -1.062
local terms energy: -99.729013
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -13.431
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: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -155.445670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.445670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.445670 (E_RNA)
where:
Base-Base interactions energy: -70.334
where: short stacking energy: -52.730
Base-Backbone interact. energy: 0.992
local terms energy: -86.104043
where:
bonds (distance) C4'-P energy: -28.912
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -1.683
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -563.708501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.708501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.708501 (E_RNA)
where:
Base-Base interactions energy: -386.293
where: short stacking energy: -176.351
Base-Backbone interact. energy: 0.682
local terms energy: -178.097690
where:
bonds (distance) C4'-P energy: -34.710
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -35.690
flat angles P-C4'-P energy: -27.598
tors. eta vs tors. theta energy: -50.381
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: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -574.578775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.578775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.578775 (E_RNA)
where:
Base-Base interactions energy: -387.420
where: short stacking energy: -171.303
Base-Backbone interact. energy: -0.397
local terms energy: -186.761476
where:
bonds (distance) C4'-P energy: -30.335
bonds (distance) P-C4' energy: -37.913
flat angles C4'-P-C4' energy: -37.286
flat angles P-C4'-P energy: -30.747
tors. eta vs tors. theta energy: -50.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -572.095489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.095489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.095489 (E_RNA)
where:
Base-Base interactions energy: -401.814
where: short stacking energy: -175.115
Base-Backbone interact. energy: -0.175
local terms energy: -170.107408
where:
bonds (distance) C4'-P energy: -30.719
bonds (distance) P-C4' energy: -31.387
flat angles C4'-P-C4' energy: -36.184
flat angles P-C4'-P energy: -25.560
tors. eta vs tors. theta energy: -46.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -516.934758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.934758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.934758 (E_RNA)
where:
Base-Base interactions energy: -353.712
where: short stacking energy: -160.720
Base-Backbone interact. energy: -1.237
local terms energy: -161.985587
where:
bonds (distance) C4'-P energy: -28.589
bonds (distance) P-C4' energy: -28.764
flat angles C4'-P-C4' energy: -34.714
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -44.382
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: 360
Temperature: 1.100000
Total energy: -499.570405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.570405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.570405 (E_RNA)
where:
Base-Base interactions energy: -341.509
where: short stacking energy: -156.112
Base-Backbone interact. energy: -0.363
local terms energy: -157.697769
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -35.492
flat angles C4'-P-C4' energy: -36.251
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -43.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -497.081185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.081185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.081185 (E_RNA)
where:
Base-Base interactions energy: -341.362
where: short stacking energy: -153.538
Base-Backbone interact. energy: -1.102
local terms energy: -154.617363
where:
bonds (distance) C4'-P energy: -29.593
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -31.741
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -45.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -410.778738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.778738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.778738 (E_RNA)
where:
Base-Base interactions energy: -262.238
where: short stacking energy: -138.599
Base-Backbone interact. energy: -0.869
local terms energy: -147.671741
where:
bonds (distance) C4'-P energy: -30.434
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -34.822
flat angles P-C4'-P energy: -20.680
tors. eta vs tors. theta energy: -34.519
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: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -296.727201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.727201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.727201 (E_RNA)
where:
Base-Base interactions energy: -176.898
where: short stacking energy: -94.897
Base-Backbone interact. energy: 1.298
local terms energy: -121.127321
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -30.398
flat angles C4'-P-C4' energy: -26.680
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -287.158735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.158735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.158735 (E_RNA)
where:
Base-Base interactions energy: -170.845
where: short stacking energy: -88.426
Base-Backbone interact. energy: -0.273
local terms energy: -116.041178
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -30.524
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -20.270
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: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -161.538046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.538046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.538046 (E_RNA)
where:
Base-Base interactions energy: -67.039
where: short stacking energy: -62.704
Base-Backbone interact. energy: -0.331
local terms energy: -94.167968
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -571.710498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.710498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.710498 (E_RNA)
where:
Base-Base interactions energy: -400.827
where: short stacking energy: -178.838
Base-Backbone interact. energy: 0.104
local terms energy: -170.987987
where:
bonds (distance) C4'-P energy: -29.471
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -36.898
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -48.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -585.057948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.057948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.057948 (E_RNA)
where:
Base-Base interactions energy: -413.312
where: short stacking energy: -186.394
Base-Backbone interact. energy: -0.298
local terms energy: -171.447935
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -33.205
flat angles C4'-P-C4' energy: -34.949
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: -52.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -571.764577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.764577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.764577 (E_RNA)
where:
Base-Base interactions energy: -391.199
where: short stacking energy: -175.119
Base-Backbone interact. energy: -0.083
local terms energy: -180.481618
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -34.851
flat angles C4'-P-C4' energy: -34.928
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: -49.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -512.033815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.033815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.033815 (E_RNA)
where:
Base-Base interactions energy: -348.512
where: short stacking energy: -157.627
Base-Backbone interact. energy: -0.005
local terms energy: -163.516217
where:
bonds (distance) C4'-P energy: -32.553
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -32.858
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -44.757
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: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -514.440836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.440836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.440836 (E_RNA)
where:
Base-Base interactions energy: -359.124
where: short stacking energy: -167.713
Base-Backbone interact. energy: 0.523
local terms energy: -155.839718
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -25.288
flat angles P-C4'-P energy: -22.782
tors. eta vs tors. theta energy: -47.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -395.861082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.861082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.861082 (E_RNA)
where:
Base-Base interactions energy: -261.320
where: short stacking energy: -138.451
Base-Backbone interact. energy: -0.110
local terms energy: -134.430735
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -33.484
flat angles P-C4'-P energy: -20.379
tors. eta vs tors. theta energy: -29.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -463.720253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.720253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.720253 (E_RNA)
where:
Base-Base interactions energy: -317.460
where: short stacking energy: -137.673
Base-Backbone interact. energy: -0.675
local terms energy: -145.585810
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -26.438
flat angles C4'-P-C4' energy: -37.522
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -38.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -324.698241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.698241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.698241 (E_RNA)
where:
Base-Base interactions energy: -193.863
where: short stacking energy: -105.174
Base-Backbone interact. energy: -0.381
local terms energy: -130.455066
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -22.301
tors. eta vs tors. theta energy: -27.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -267.238152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.238152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.238152 (E_RNA)
where:
Base-Base interactions energy: -152.299
where: short stacking energy: -81.500
Base-Backbone interact. energy: 0.656
local terms energy: -115.595303
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -159.873165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.873165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.873165 (E_RNA)
where:
Base-Base interactions energy: -70.386
where: short stacking energy: -62.475
Base-Backbone interact. energy: 0.920
local terms energy: -90.407378
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -26.488
flat angles C4'-P-C4' energy: -32.894
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: 0.898
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: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -585.512077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.512077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.512077 (E_RNA)
where:
Base-Base interactions energy: -402.922
where: short stacking energy: -182.119
Base-Backbone interact. energy: -0.872
local terms energy: -181.718607
where:
bonds (distance) C4'-P energy: -30.755
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -37.232
flat angles P-C4'-P energy: -29.383
tors. eta vs tors. theta energy: -52.890
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: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -576.645554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.645554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.645554 (E_RNA)
where:
Base-Base interactions energy: -403.545
where: short stacking energy: -170.235
Base-Backbone interact. energy: 0.610
local terms energy: -173.710636
where:
bonds (distance) C4'-P energy: -31.131
bonds (distance) P-C4' energy: -37.230
flat angles C4'-P-C4' energy: -35.535
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -48.669
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: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -564.495384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.495384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.495384 (E_RNA)
where:
Base-Base interactions energy: -398.631
where: short stacking energy: -183.397
Base-Backbone interact. energy: -0.453
local terms energy: -165.410876
where:
bonds (distance) C4'-P energy: -30.962
bonds (distance) P-C4' energy: -32.012
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -48.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -510.842378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.842378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.842378 (E_RNA)
where:
Base-Base interactions energy: -339.166
where: short stacking energy: -163.679
Base-Backbone interact. energy: -0.443
local terms energy: -171.233621
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -28.618
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -50.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -512.884574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.884574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.884574 (E_RNA)
where:
Base-Base interactions energy: -353.456
where: short stacking energy: -170.578
Base-Backbone interact. energy: -0.410
local terms energy: -159.018980
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -27.230
flat angles C4'-P-C4' energy: -35.000
flat angles P-C4'-P energy: -24.220
tors. eta vs tors. theta energy: -50.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -380.898006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.898006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.898006 (E_RNA)
where:
Base-Base interactions energy: -246.434
where: short stacking energy: -129.849
Base-Backbone interact. energy: -1.250
local terms energy: -133.214066
where:
bonds (distance) C4'-P energy: -26.600
bonds (distance) P-C4' energy: -30.652
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -26.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -426.286009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.286009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.286009 (E_RNA)
where:
Base-Base interactions energy: -280.558
where: short stacking energy: -130.158
Base-Backbone interact. energy: -0.412
local terms energy: -145.316061
where:
bonds (distance) C4'-P energy: -28.760
bonds (distance) P-C4' energy: -31.081
flat angles C4'-P-C4' energy: -33.875
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -31.713
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: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -321.759900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.759900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.759900 (E_RNA)
where:
Base-Base interactions energy: -197.920
where: short stacking energy: -110.460
Base-Backbone interact. energy: 1.255
local terms energy: -125.095238
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -36.371
flat angles P-C4'-P energy: -21.910
tors. eta vs tors. theta energy: -21.621
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: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -216.415653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.415653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.415653 (E_RNA)
where:
Base-Base interactions energy: -107.111
where: short stacking energy: -57.905
Base-Backbone interact. energy: -0.550
local terms energy: -108.754780
where:
bonds (distance) C4'-P energy: -27.587
bonds (distance) P-C4' energy: -32.630
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -3.471
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: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -158.771296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.771296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.771296 (E_RNA)
where:
Base-Base interactions energy: -68.429
where: short stacking energy: -58.844
Base-Backbone interact. energy: 6.845
local terms energy: -97.187093
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -33.575
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -6.753
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: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -593.971901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.971901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.971901 (E_RNA)
where:
Base-Base interactions energy: -402.287
where: short stacking energy: -180.584
Base-Backbone interact. energy: -0.092
local terms energy: -191.592581
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -36.487
flat angles C4'-P-C4' energy: -39.091
flat angles P-C4'-P energy: -30.022
tors. eta vs tors. theta energy: -51.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -578.308810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.308810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.308810 (E_RNA)
where:
Base-Base interactions energy: -393.715
where: short stacking energy: -178.723
Base-Backbone interact. energy: -0.056
local terms energy: -184.538602
where:
bonds (distance) C4'-P energy: -30.110
bonds (distance) P-C4' energy: -35.125
flat angles C4'-P-C4' energy: -38.152
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -51.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -564.968570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.968570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.968570 (E_RNA)
where:
Base-Base interactions energy: -384.045
where: short stacking energy: -178.266
Base-Backbone interact. energy: -0.922
local terms energy: -180.001065
where:
bonds (distance) C4'-P energy: -34.606
bonds (distance) P-C4' energy: -35.351
flat angles C4'-P-C4' energy: -36.867
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -50.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -521.266496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.266496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.266496 (E_RNA)
where:
Base-Base interactions energy: -345.542
where: short stacking energy: -160.239
Base-Backbone interact. energy: -0.658
local terms energy: -175.066714
where:
bonds (distance) C4'-P energy: -32.831
bonds (distance) P-C4' energy: -31.418
flat angles C4'-P-C4' energy: -39.903
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -45.372
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: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -496.457048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.457048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.457048 (E_RNA)
where:
Base-Base interactions energy: -333.628
where: short stacking energy: -160.390
Base-Backbone interact. energy: -1.268
local terms energy: -161.561042
where:
bonds (distance) C4'-P energy: -33.021
bonds (distance) P-C4' energy: -31.006
flat angles C4'-P-C4' energy: -32.080
flat angles P-C4'-P energy: -24.537
tors. eta vs tors. theta energy: -40.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -461.330736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.330736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.330736 (E_RNA)
where:
Base-Base interactions energy: -306.862
where: short stacking energy: -144.430
Base-Backbone interact. energy: -0.085
local terms energy: -154.383460
where:
bonds (distance) C4'-P energy: -29.146
bonds (distance) P-C4' energy: -28.035
flat angles C4'-P-C4' energy: -28.195
flat angles P-C4'-P energy: -24.669
tors. eta vs tors. theta energy: -44.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -384.092602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.092602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.092602 (E_RNA)
where:
Base-Base interactions energy: -247.944
where: short stacking energy: -126.344
Base-Backbone interact. energy: -0.309
local terms energy: -135.839505
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -32.831
flat angles C4'-P-C4' energy: -31.092
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -32.699
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: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -337.663019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.663019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.663019 (E_RNA)
where:
Base-Base interactions energy: -214.830
where: short stacking energy: -105.384
Base-Backbone interact. energy: -1.122
local terms energy: -121.710726
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -31.412
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -231.849898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.849898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.849898 (E_RNA)
where:
Base-Base interactions energy: -120.118
where: short stacking energy: -69.530
Base-Backbone interact. energy: 0.032
local terms energy: -111.763562
where:
bonds (distance) C4'-P energy: -29.904
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -27.284
flat angles P-C4'-P energy: -21.244
tors. eta vs tors. theta energy: -5.495
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: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -168.155811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.155811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.155811 (E_RNA)
where:
Base-Base interactions energy: -62.562
where: short stacking energy: -55.252
Base-Backbone interact. energy: -0.625
local terms energy: -104.968840
where:
bonds (distance) C4'-P energy: -28.420
bonds (distance) P-C4' energy: -28.485
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -587.066811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.066811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.066811 (E_RNA)
where:
Base-Base interactions energy: -394.449
where: short stacking energy: -172.443
Base-Backbone interact. energy: -1.175
local terms energy: -191.442916
where:
bonds (distance) C4'-P energy: -38.332
bonds (distance) P-C4' energy: -36.698
flat angles C4'-P-C4' energy: -34.415
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: -53.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -577.624159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.624159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.624159 (E_RNA)
where:
Base-Base interactions energy: -397.538
where: short stacking energy: -186.255
Base-Backbone interact. energy: -0.512
local terms energy: -179.574082
where:
bonds (distance) C4'-P energy: -33.012
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -36.131
flat angles P-C4'-P energy: -27.477
tors. eta vs tors. theta energy: -51.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -550.165364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.165364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.165364 (E_RNA)
where:
Base-Base interactions energy: -382.941
where: short stacking energy: -166.331
Base-Backbone interact. energy: -1.266
local terms energy: -165.958287
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -33.693
flat angles P-C4'-P energy: -22.314
tors. eta vs tors. theta energy: -45.723
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: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -509.160626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.160626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.160626 (E_RNA)
where:
Base-Base interactions energy: -338.086
where: short stacking energy: -161.950
Base-Backbone interact. energy: -1.743
local terms energy: -169.332064
where:
bonds (distance) C4'-P energy: -31.277
bonds (distance) P-C4' energy: -31.760
flat angles C4'-P-C4' energy: -34.344
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: -47.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -462.238057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.238057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.238057 (E_RNA)
where:
Base-Base interactions energy: -311.137
where: short stacking energy: -143.735
Base-Backbone interact. energy: -3.455
local terms energy: -147.645220
where:
bonds (distance) C4'-P energy: -31.144
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -32.516
flat angles P-C4'-P energy: -20.429
tors. eta vs tors. theta energy: -33.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -468.215685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.215685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.215685 (E_RNA)
where:
Base-Base interactions energy: -320.045
where: short stacking energy: -142.599
Base-Backbone interact. energy: -0.443
local terms energy: -147.727753
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -33.392
flat angles C4'-P-C4' energy: -24.670
flat angles P-C4'-P energy: -20.003
tors. eta vs tors. theta energy: -38.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -376.829357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.829357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.829357 (E_RNA)
where:
Base-Base interactions energy: -245.280
where: short stacking energy: -119.141
Base-Backbone interact. energy: -1.500
local terms energy: -130.049676
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -27.463
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -32.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -362.702078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.702078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.702078 (E_RNA)
where:
Base-Base interactions energy: -225.164
where: short stacking energy: -110.248
Base-Backbone interact. energy: -0.198
local terms energy: -137.340382
where:
bonds (distance) C4'-P energy: -32.814
bonds (distance) P-C4' energy: -31.297
flat angles C4'-P-C4' energy: -32.451
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -21.890
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: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -239.097791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.097791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.097791 (E_RNA)
where:
Base-Base interactions energy: -117.584
where: short stacking energy: -70.018
Base-Backbone interact. energy: -1.123
local terms energy: -120.390730
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -35.824
flat angles C4'-P-C4' energy: -36.567
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -166.066101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.066101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.066101 (E_RNA)
where:
Base-Base interactions energy: -59.586
where: short stacking energy: -48.791
Base-Backbone interact. energy: 2.613
local terms energy: -109.093100
where:
bonds (distance) C4'-P energy: -27.970
bonds (distance) P-C4' energy: -31.351
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -7.684
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: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -593.413076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.413076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.413076 (E_RNA)
where:
Base-Base interactions energy: -416.793
where: short stacking energy: -190.995
Base-Backbone interact. energy: -1.338
local terms energy: -175.281834
where:
bonds (distance) C4'-P energy: -27.920
bonds (distance) P-C4' energy: -32.167
flat angles C4'-P-C4' energy: -36.362
flat angles P-C4'-P energy: -28.247
tors. eta vs tors. theta energy: -50.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -562.918032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.918032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.918032 (E_RNA)
where:
Base-Base interactions energy: -389.244
where: short stacking energy: -174.979
Base-Backbone interact. energy: -0.294
local terms energy: -173.380522
where:
bonds (distance) C4'-P energy: -37.541
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -33.588
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -49.997
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: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -569.002034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.002034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.002034 (E_RNA)
where:
Base-Base interactions energy: -404.221
where: short stacking energy: -180.009
Base-Backbone interact. energy: -0.527
local terms energy: -164.254452
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -31.830
flat angles C4'-P-C4' energy: -30.575
flat angles P-C4'-P energy: -29.304
tors. eta vs tors. theta energy: -49.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -516.957529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.957529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.957529 (E_RNA)
where:
Base-Base interactions energy: -347.671
where: short stacking energy: -156.864
Base-Backbone interact. energy: -0.372
local terms energy: -168.914385
where:
bonds (distance) C4'-P energy: -35.616
bonds (distance) P-C4' energy: -28.180
flat angles C4'-P-C4' energy: -36.132
flat angles P-C4'-P energy: -24.662
tors. eta vs tors. theta energy: -44.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -464.016492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.016492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.016492 (E_RNA)
where:
Base-Base interactions energy: -306.136
where: short stacking energy: -141.647
Base-Backbone interact. energy: -2.266
local terms energy: -155.613821
where:
bonds (distance) C4'-P energy: -26.436
bonds (distance) P-C4' energy: -36.568
flat angles C4'-P-C4' energy: -31.332
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -39.872
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: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -476.388948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.388948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.388948 (E_RNA)
where:
Base-Base interactions energy: -321.003
where: short stacking energy: -150.656
Base-Backbone interact. energy: -1.378
local terms energy: -154.007630
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -30.248
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -22.346
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: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -370.259393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.259393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.259393 (E_RNA)
where:
Base-Base interactions energy: -242.314
where: short stacking energy: -130.263
Base-Backbone interact. energy: -0.423
local terms energy: -127.522596
where:
bonds (distance) C4'-P energy: -31.895
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -25.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -329.298050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.298050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.298050 (E_RNA)
where:
Base-Base interactions energy: -203.044
where: short stacking energy: -100.219
Base-Backbone interact. energy: -0.409
local terms energy: -125.845089
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -30.073
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -21.507
tors. eta vs tors. theta energy: -19.526
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: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -253.029033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.029033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.029033 (E_RNA)
where:
Base-Base interactions energy: -155.492
where: short stacking energy: -80.364
Base-Backbone interact. energy: 0.328
local terms energy: -97.865708
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -30.929
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -165.080786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.080786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.080786 (E_RNA)
where:
Base-Base interactions energy: -63.615
where: short stacking energy: -56.579
Base-Backbone interact. energy: -0.381
local terms energy: -101.084134
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -26.914
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -583.605817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.605817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.605817 (E_RNA)
where:
Base-Base interactions energy: -402.671
where: short stacking energy: -183.030
Base-Backbone interact. energy: -0.014
local terms energy: -180.920461
where:
bonds (distance) C4'-P energy: -31.057
bonds (distance) P-C4' energy: -31.157
flat angles C4'-P-C4' energy: -40.307
flat angles P-C4'-P energy: -26.351
tors. eta vs tors. theta energy: -52.049
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: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -561.297854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.297854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.297854 (E_RNA)
where:
Base-Base interactions energy: -386.623
where: short stacking energy: -173.721
Base-Backbone interact. energy: -2.058
local terms energy: -172.616439
where:
bonds (distance) C4'-P energy: -29.866
bonds (distance) P-C4' energy: -37.107
flat angles C4'-P-C4' energy: -35.584
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -47.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -569.370684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.370684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.370684 (E_RNA)
where:
Base-Base interactions energy: -399.515
where: short stacking energy: -174.263
Base-Backbone interact. energy: 0.231
local terms energy: -170.086590
where:
bonds (distance) C4'-P energy: -34.243
bonds (distance) P-C4' energy: -30.217
flat angles C4'-P-C4' energy: -35.530
flat angles P-C4'-P energy: -21.301
tors. eta vs tors. theta energy: -48.796
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: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -525.833010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.833010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.833010 (E_RNA)
where:
Base-Base interactions energy: -365.434
where: short stacking energy: -158.147
Base-Backbone interact. energy: 0.582
local terms energy: -160.980668
where:
bonds (distance) C4'-P energy: -28.906
bonds (distance) P-C4' energy: -35.969
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -24.855
tors. eta vs tors. theta energy: -42.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -457.256846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.256846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.256846 (E_RNA)
where:
Base-Base interactions energy: -307.196
where: short stacking energy: -129.496
Base-Backbone interact. energy: -0.262
local terms energy: -149.798053
where:
bonds (distance) C4'-P energy: -32.715
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -29.066
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -38.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -447.714944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.714944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.714944 (E_RNA)
where:
Base-Base interactions energy: -314.779
where: short stacking energy: -146.089
Base-Backbone interact. energy: 0.361
local terms energy: -133.296816
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -33.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -325.055763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.055763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.055763 (E_RNA)
where:
Base-Base interactions energy: -205.492
where: short stacking energy: -120.383
Base-Backbone interact. energy: 1.219
local terms energy: -120.783204
where:
bonds (distance) C4'-P energy: -27.070
bonds (distance) P-C4' energy: -28.272
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -27.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -336.821715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.821715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.821715 (E_RNA)
where:
Base-Base interactions energy: -200.851
where: short stacking energy: -111.002
Base-Backbone interact. energy: -0.426
local terms energy: -135.544773
where:
bonds (distance) C4'-P energy: -33.103
bonds (distance) P-C4' energy: -37.434
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -29.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -245.968094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.968094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.968094 (E_RNA)
where:
Base-Base interactions energy: -143.176
where: short stacking energy: -74.457
Base-Backbone interact. energy: 1.345
local terms energy: -104.136439
where:
bonds (distance) C4'-P energy: -27.248
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -11.927
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: 10, replica: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -157.491787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.491787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.491787 (E_RNA)
where:
Base-Base interactions energy: -54.719
where: short stacking energy: -52.445
Base-Backbone interact. energy: 0.459
local terms energy: -103.232610
where:
bonds (distance) C4'-P energy: -26.853
bonds (distance) P-C4' energy: -32.711
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -591.924011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.924011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.924011 (E_RNA)
where:
Base-Base interactions energy: -409.916
where: short stacking energy: -182.673
Base-Backbone interact. energy: -1.207
local terms energy: -180.801106
where:
bonds (distance) C4'-P energy: -29.186
bonds (distance) P-C4' energy: -36.671
flat angles C4'-P-C4' energy: -39.185
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: -48.324
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: 367
Temperature: 0.950000
Total energy: -582.356602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.356602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.356602 (E_RNA)
where:
Base-Base interactions energy: -411.581
where: short stacking energy: -178.865
Base-Backbone interact. energy: -0.909
local terms energy: -169.866528
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -32.686
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -52.016
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: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -549.061220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.061220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.061220 (E_RNA)
where:
Base-Base interactions energy: -373.384
where: short stacking energy: -174.659
Base-Backbone interact. energy: -1.193
local terms energy: -174.483616
where:
bonds (distance) C4'-P energy: -32.921
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -39.310
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: -49.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -543.639955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.639955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.639955 (E_RNA)
where:
Base-Base interactions energy: -381.309
where: short stacking energy: -173.748
Base-Backbone interact. energy: -1.162
local terms energy: -161.169738
where:
bonds (distance) C4'-P energy: -29.844
bonds (distance) P-C4' energy: -29.943
flat angles C4'-P-C4' energy: -34.630
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -45.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -467.061841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.061841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.061841 (E_RNA)
where:
Base-Base interactions energy: -313.154
where: short stacking energy: -137.079
Base-Backbone interact. energy: -1.438
local terms energy: -152.469649
where:
bonds (distance) C4'-P energy: -28.135
bonds (distance) P-C4' energy: -29.487
flat angles C4'-P-C4' energy: -31.133
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -42.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -464.190409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.190409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.190409 (E_RNA)
where:
Base-Base interactions energy: -315.225
where: short stacking energy: -145.520
Base-Backbone interact. energy: 0.576
local terms energy: -149.541655
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -29.578
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -41.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -274.598279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.598279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.598279 (E_RNA)
where:
Base-Base interactions energy: -158.770
where: short stacking energy: -78.584
Base-Backbone interact. energy: -0.234
local terms energy: -115.593810
where:
bonds (distance) C4'-P energy: -27.154
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -27.462
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: -7.142
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: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -362.464758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.464758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.464758 (E_RNA)
where:
Base-Base interactions energy: -234.926
where: short stacking energy: -124.799
Base-Backbone interact. energy: 0.613
local terms energy: -128.152124
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -30.112
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -30.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -217.635504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.635504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.635504 (E_RNA)
where:
Base-Base interactions energy: -117.752
where: short stacking energy: -77.420
Base-Backbone interact. energy: 2.451
local terms energy: -102.334200
where:
bonds (distance) C4'-P energy: -26.845
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -25.065
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -173.220821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.220821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.220821 (E_RNA)
where:
Base-Base interactions energy: -65.808
where: short stacking energy: -61.772
Base-Backbone interact. energy: 0.176
local terms energy: -107.588571
where:
bonds (distance) C4'-P energy: -30.314
bonds (distance) P-C4' energy: -31.789
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -8.041
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: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -574.297556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.297556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.297556 (E_RNA)
where:
Base-Base interactions energy: -407.558
where: short stacking energy: -177.400
Base-Backbone interact. energy: -0.314
local terms energy: -166.425013
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -35.542
flat angles C4'-P-C4' energy: -37.594
flat angles P-C4'-P energy: -24.724
tors. eta vs tors. theta energy: -45.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -562.785775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.785775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.785775 (E_RNA)
where:
Base-Base interactions energy: -393.155
where: short stacking energy: -178.246
Base-Backbone interact. energy: -0.366
local terms energy: -169.264712
where:
bonds (distance) C4'-P energy: -29.581
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -35.562
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -50.296
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: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -546.256198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.256198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.256198 (E_RNA)
where:
Base-Base interactions energy: -374.657
where: short stacking energy: -173.445
Base-Backbone interact. energy: -1.022
local terms energy: -170.577166
where:
bonds (distance) C4'-P energy: -32.594
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -18.199
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: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -523.934390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.934390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.934390 (E_RNA)
where:
Base-Base interactions energy: -353.702
where: short stacking energy: -173.645
Base-Backbone interact. energy: -0.301
local terms energy: -169.932005
where:
bonds (distance) C4'-P energy: -32.516
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -35.911
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -50.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -494.838908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.838908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.838908 (E_RNA)
where:
Base-Base interactions energy: -325.865
where: short stacking energy: -146.343
Base-Backbone interact. energy: -1.852
local terms energy: -167.122499
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -34.688
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -28.070
tors. eta vs tors. theta energy: -39.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -459.663707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.663707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.663707 (E_RNA)
where:
Base-Base interactions energy: -307.727
where: short stacking energy: -140.504
Base-Backbone interact. energy: 0.267
local terms energy: -152.203370
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -23.662
tors. eta vs tors. theta energy: -39.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -389.944057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.944057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.944057 (E_RNA)
where:
Base-Base interactions energy: -254.915
where: short stacking energy: -139.136
Base-Backbone interact. energy: -0.293
local terms energy: -134.735987
where:
bonds (distance) C4'-P energy: -32.827
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -32.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -278.967276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.967276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.967276 (E_RNA)
where:
Base-Base interactions energy: -153.900
where: short stacking energy: -87.792
Base-Backbone interact. energy: -1.641
local terms energy: -123.426164
where:
bonds (distance) C4'-P energy: -30.924
bonds (distance) P-C4' energy: -30.808
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -237.687714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.687714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.687714 (E_RNA)
where:
Base-Base interactions energy: -123.088
where: short stacking energy: -80.383
Base-Backbone interact. energy: -0.988
local terms energy: -113.611110
where:
bonds (distance) C4'-P energy: -26.953
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -25.433
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -185.047617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.047617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.047617 (E_RNA)
where:
Base-Base interactions energy: -98.533
where: short stacking energy: -72.636
Base-Backbone interact. energy: 5.011
local terms energy: -91.525490
where:
bonds (distance) C4'-P energy: -25.114
bonds (distance) P-C4' energy: -26.889
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -5.772
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: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -584.660339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.660339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.660339 (E_RNA)
where:
Base-Base interactions energy: -408.579
where: short stacking energy: -181.266
Base-Backbone interact. energy: -0.495
local terms energy: -175.586533
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -31.197
flat angles C4'-P-C4' energy: -37.242
flat angles P-C4'-P energy: -27.937
tors. eta vs tors. theta energy: -51.667
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: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -554.604184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.604184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.604184 (E_RNA)
where:
Base-Base interactions energy: -372.005
where: short stacking energy: -173.095
Base-Backbone interact. energy: -0.527
local terms energy: -182.072798
where:
bonds (distance) C4'-P energy: -36.582
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -39.384
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: -51.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -564.405702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.405702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.405702 (E_RNA)
where:
Base-Base interactions energy: -401.844
where: short stacking energy: -171.977
Base-Backbone interact. energy: -0.107
local terms energy: -162.454442
where:
bonds (distance) C4'-P energy: -32.048
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -48.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -522.345520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.345520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.345520 (E_RNA)
where:
Base-Base interactions energy: -353.222
where: short stacking energy: -165.365
Base-Backbone interact. energy: -0.250
local terms energy: -168.873366
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -28.647
flat angles C4'-P-C4' energy: -32.588
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -50.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -461.657703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.657703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.657703 (E_RNA)
where:
Base-Base interactions energy: -319.253
where: short stacking energy: -147.473
Base-Backbone interact. energy: -0.475
local terms energy: -141.929598
where:
bonds (distance) C4'-P energy: -27.573
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -24.116
tors. eta vs tors. theta energy: -42.557
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: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -385.826141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.826141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.826141 (E_RNA)
where:
Base-Base interactions energy: -255.334
where: short stacking energy: -120.242
Base-Backbone interact. energy: -0.428
local terms energy: -130.064296
where:
bonds (distance) C4'-P energy: -32.192
bonds (distance) P-C4' energy: -27.146
flat angles C4'-P-C4' energy: -26.186
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -27.011
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: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -433.592287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.592287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.592287 (E_RNA)
where:
Base-Base interactions energy: -290.030
where: short stacking energy: -142.026
Base-Backbone interact. energy: 0.775
local terms energy: -144.337239
where:
bonds (distance) C4'-P energy: -23.010
bonds (distance) P-C4' energy: -34.611
flat angles C4'-P-C4' energy: -33.166
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -301.838283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.838283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.838283 (E_RNA)
where:
Base-Base interactions energy: -182.917
where: short stacking energy: -103.114
Base-Backbone interact. energy: -1.547
local terms energy: -117.374000
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -26.610
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -237.919226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.919226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.919226 (E_RNA)
where:
Base-Base interactions energy: -140.965
where: short stacking energy: -87.573
Base-Backbone interact. energy: 0.545
local terms energy: -97.499180
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -33.113
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -10.274
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: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -164.480113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.480113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.480113 (E_RNA)
where:
Base-Base interactions energy: -76.067
where: short stacking energy: -56.313
Base-Backbone interact. energy: 2.616
local terms energy: -91.028865
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: 0.742
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: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -554.658485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.658485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.658485 (E_RNA)
where:
Base-Base interactions energy: -376.376
where: short stacking energy: -174.336
Base-Backbone interact. energy: -1.881
local terms energy: -176.400569
where:
bonds (distance) C4'-P energy: -34.155
bonds (distance) P-C4' energy: -30.439
flat angles C4'-P-C4' energy: -36.706
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -52.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -582.831632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.831632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.831632 (E_RNA)
where:
Base-Base interactions energy: -404.407
where: short stacking energy: -170.036
Base-Backbone interact. energy: -2.838
local terms energy: -175.586791
where:
bonds (distance) C4'-P energy: -33.878
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -37.270
flat angles P-C4'-P energy: -26.602
tors. eta vs tors. theta energy: -47.772
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: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -564.311493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.311493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.311493 (E_RNA)
where:
Base-Base interactions energy: -392.277
where: short stacking energy: -176.424
Base-Backbone interact. energy: -1.053
local terms energy: -170.981513
where:
bonds (distance) C4'-P energy: -30.592
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -38.072
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -50.098
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: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -517.213628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.213628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.213628 (E_RNA)
where:
Base-Base interactions energy: -357.737
where: short stacking energy: -166.386
Base-Backbone interact. energy: -0.668
local terms energy: -158.808453
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -33.836
flat angles P-C4'-P energy: -20.719
tors. eta vs tors. theta energy: -50.451
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: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -451.143855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.143855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.143855 (E_RNA)
where:
Base-Base interactions energy: -307.266
where: short stacking energy: -131.947
Base-Backbone interact. energy: -2.914
local terms energy: -140.964539
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -29.619
flat angles C4'-P-C4' energy: -36.668
flat angles P-C4'-P energy: -21.079
tors. eta vs tors. theta energy: -32.613
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: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -337.686215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.686215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.686215 (E_RNA)
where:
Base-Base interactions energy: -200.307
where: short stacking energy: -96.832
Base-Backbone interact. energy: -0.399
local terms energy: -136.980738
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -33.437
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -445.202637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.202637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.202637 (E_RNA)
where:
Base-Base interactions energy: -294.330
where: short stacking energy: -140.623
Base-Backbone interact. energy: -0.166
local terms energy: -150.707317
where:
bonds (distance) C4'-P energy: -27.086
bonds (distance) P-C4' energy: -31.092
flat angles C4'-P-C4' energy: -29.458
flat angles P-C4'-P energy: -22.976
tors. eta vs tors. theta energy: -40.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -299.490465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.490465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.490465 (E_RNA)
where:
Base-Base interactions energy: -198.830
where: short stacking energy: -95.126
Base-Backbone interact. energy: 1.613
local terms energy: -102.273110
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -14.723
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: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -252.699562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.699562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.699562 (E_RNA)
where:
Base-Base interactions energy: -143.287
where: short stacking energy: -82.175
Base-Backbone interact. energy: 0.065
local terms energy: -109.477847
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -26.609
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -154.558847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.558847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.558847 (E_RNA)
where:
Base-Base interactions energy: -55.304
where: short stacking energy: -53.895
Base-Backbone interact. energy: -0.476
local terms energy: -98.778191
where:
bonds (distance) C4'-P energy: -27.092
bonds (distance) P-C4' energy: -26.039
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -20.995
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: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -556.681113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.681113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.681113 (E_RNA)
where:
Base-Base interactions energy: -370.884
where: short stacking energy: -178.717
Base-Backbone interact. energy: -0.204
local terms energy: -185.592888
where:
bonds (distance) C4'-P energy: -37.388
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -39.689
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -51.710
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: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -577.061777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.061777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.061777 (E_RNA)
where:
Base-Base interactions energy: -403.225
where: short stacking energy: -181.117
Base-Backbone interact. energy: -0.266
local terms energy: -173.570421
where:
bonds (distance) C4'-P energy: -28.974
bonds (distance) P-C4' energy: -34.760
flat angles C4'-P-C4' energy: -37.020
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -46.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -582.271219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.271219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.271219 (E_RNA)
where:
Base-Base interactions energy: -403.807
where: short stacking energy: -185.160
Base-Backbone interact. energy: 0.158
local terms energy: -178.622418
where:
bonds (distance) C4'-P energy: -33.581
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -33.328
flat angles P-C4'-P energy: -29.554
tors. eta vs tors. theta energy: -51.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -513.106621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.106621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.106621 (E_RNA)
where:
Base-Base interactions energy: -349.992
where: short stacking energy: -152.411
Base-Backbone interact. energy: -1.685
local terms energy: -161.429567
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -30.275
flat angles C4'-P-C4' energy: -38.155
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -43.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -462.711637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.711637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.711637 (E_RNA)
where:
Base-Base interactions energy: -309.434
where: short stacking energy: -144.100
Base-Backbone interact. energy: -0.351
local terms energy: -152.927559
where:
bonds (distance) C4'-P energy: -28.141
bonds (distance) P-C4' energy: -37.525
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -45.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -449.065944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.065944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.065944 (E_RNA)
where:
Base-Base interactions energy: -292.438
where: short stacking energy: -155.861
Base-Backbone interact. energy: -1.532
local terms energy: -155.095406
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -30.285
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -48.502
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: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -375.061774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.061774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.061774 (E_RNA)
where:
Base-Base interactions energy: -237.261
where: short stacking energy: -132.461
Base-Backbone interact. energy: -0.896
local terms energy: -136.904918
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -31.162
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -31.539
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: 371
Temperature: 1.250000
Total energy: -321.873453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.873453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.873453 (E_RNA)
where:
Base-Base interactions energy: -199.633
where: short stacking energy: -88.850
Base-Backbone interact. energy: -2.105
local terms energy: -120.135713
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -32.234
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -19.277
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: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -221.767619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.767619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.767619 (E_RNA)
where:
Base-Base interactions energy: -117.970
where: short stacking energy: -73.838
Base-Backbone interact. energy: -1.470
local terms energy: -102.327370
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -31.409
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -12.543
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: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -192.417826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.417826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.417826 (E_RNA)
where:
Base-Base interactions energy: -92.489
where: short stacking energy: -56.350
Base-Backbone interact. energy: -0.481
local terms energy: -99.448239
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -24.130
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -582.745706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.745706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.745706 (E_RNA)
where:
Base-Base interactions energy: -404.015
where: short stacking energy: -173.211
Base-Backbone interact. energy: -0.211
local terms energy: -178.519767
where:
bonds (distance) C4'-P energy: -26.743
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -39.492
flat angles P-C4'-P energy: -26.936
tors. eta vs tors. theta energy: -51.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -547.509976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.509976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.509976 (E_RNA)
where:
Base-Base interactions energy: -364.729
where: short stacking energy: -181.609
Base-Backbone interact. energy: -0.018
local terms energy: -182.763307
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -32.339
flat angles C4'-P-C4' energy: -39.403
flat angles P-C4'-P energy: -28.368
tors. eta vs tors. theta energy: -53.385
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: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -558.394716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.394716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.394716 (E_RNA)
where:
Base-Base interactions energy: -383.854
where: short stacking energy: -173.788
Base-Backbone interact. energy: -0.230
local terms energy: -174.311211
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -33.236
flat angles P-C4'-P energy: -27.830
tors. eta vs tors. theta energy: -47.139
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: 372
Temperature: 1.050000
Total energy: -516.303508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.303508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.303508 (E_RNA)
where:
Base-Base interactions energy: -354.514
where: short stacking energy: -165.752
Base-Backbone interact. energy: 0.530
local terms energy: -162.319129
where:
bonds (distance) C4'-P energy: -27.420
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -36.618
flat angles P-C4'-P energy: -25.860
tors. eta vs tors. theta energy: -41.576
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: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -483.625358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.625358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.625358 (E_RNA)
where:
Base-Base interactions energy: -327.323
where: short stacking energy: -144.528
Base-Backbone interact. energy: -2.147
local terms energy: -154.155620
where:
bonds (distance) C4'-P energy: -32.475
bonds (distance) P-C4' energy: -28.684
flat angles C4'-P-C4' energy: -34.754
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -37.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -455.213843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.213843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.213843 (E_RNA)
where:
Base-Base interactions energy: -302.844
where: short stacking energy: -135.847
Base-Backbone interact. energy: -1.200
local terms energy: -151.169693
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -34.750
flat angles P-C4'-P energy: -25.035
tors. eta vs tors. theta energy: -35.315
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: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -365.140035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.140035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.140035 (E_RNA)
where:
Base-Base interactions energy: -245.541
where: short stacking energy: -126.811
Base-Backbone interact. energy: 4.015
local terms energy: -123.614082
where:
bonds (distance) C4'-P energy: -27.522
bonds (distance) P-C4' energy: -30.756
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -23.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -300.337206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.337206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.337206 (E_RNA)
where:
Base-Base interactions energy: -166.716
where: short stacking energy: -107.432
Base-Backbone interact. energy: -0.297
local terms energy: -133.323646
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -30.635
flat angles C4'-P-C4' energy: -32.502
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -29.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -298.770871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.770871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.770871 (E_RNA)
where:
Base-Base interactions energy: -169.546
where: short stacking energy: -90.940
Base-Backbone interact. energy: -1.342
local terms energy: -127.882691
where:
bonds (distance) C4'-P energy: -35.633
bonds (distance) P-C4' energy: -29.173
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -24.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -155.293875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.293875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.293875 (E_RNA)
where:
Base-Base interactions energy: -57.626
where: short stacking energy: -51.009
Base-Backbone interact. energy: -0.038
local terms energy: -97.628936
where:
bonds (distance) C4'-P energy: -25.623
bonds (distance) P-C4' energy: -30.724
flat angles C4'-P-C4' energy: -32.913
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -591.481136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.481136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.481136 (E_RNA)
where:
Base-Base interactions energy: -409.101
where: short stacking energy: -182.350
Base-Backbone interact. energy: -2.872
local terms energy: -179.508076
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -37.077
flat angles C4'-P-C4' energy: -37.076
flat angles P-C4'-P energy: -28.032
tors. eta vs tors. theta energy: -48.961
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: 2, replica: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -576.031035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.031035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.031035 (E_RNA)
where:
Base-Base interactions energy: -400.969
where: short stacking energy: -177.029
Base-Backbone interact. energy: -0.039
local terms energy: -175.023074
where:
bonds (distance) C4'-P energy: -32.611
bonds (distance) P-C4' energy: -33.742
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -27.881
tors. eta vs tors. theta energy: -44.072
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: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -537.087090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.087090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.087090 (E_RNA)
where:
Base-Base interactions energy: -370.997
where: short stacking energy: -182.642
Base-Backbone interact. energy: 0.379
local terms energy: -166.469179
where:
bonds (distance) C4'-P energy: -28.578
bonds (distance) P-C4' energy: -30.293
flat angles C4'-P-C4' energy: -33.093
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -50.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -494.515227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.515227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.515227 (E_RNA)
where:
Base-Base interactions energy: -334.856
where: short stacking energy: -154.426
Base-Backbone interact. energy: -0.459
local terms energy: -159.200079
where:
bonds (distance) C4'-P energy: -31.026
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -25.291
tors. eta vs tors. theta energy: -37.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -495.460322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.460322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.460322 (E_RNA)
where:
Base-Base interactions energy: -333.152
where: short stacking energy: -151.793
Base-Backbone interact. energy: -0.794
local terms energy: -161.514338
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -32.109
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -23.541
tors. eta vs tors. theta energy: -44.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -421.982999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.982999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.982999 (E_RNA)
where:
Base-Base interactions energy: -275.813
where: short stacking energy: -123.847
Base-Backbone interact. energy: -1.269
local terms energy: -144.901275
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: -32.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -357.162444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.162444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.162444 (E_RNA)
where:
Base-Base interactions energy: -235.787
where: short stacking energy: -118.968
Base-Backbone interact. energy: -0.527
local terms energy: -120.848767
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -28.737
flat angles C4'-P-C4' energy: -27.267
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -28.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -317.740294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.740294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.740294 (E_RNA)
where:
Base-Base interactions energy: -200.069
where: short stacking energy: -106.161
Base-Backbone interact. energy: 0.267
local terms energy: -117.938087
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -25.757
flat angles C4'-P-C4' energy: -26.461
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -22.515
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: 373
Temperature: 1.300000
Total energy: -311.532299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.532299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.532299 (E_RNA)
where:
Base-Base interactions energy: -200.696
where: short stacking energy: -101.268
Base-Backbone interact. energy: -0.673
local terms energy: -110.163448
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -22.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -155.573485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.573485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.573485 (E_RNA)
where:
Base-Base interactions energy: -69.916
where: short stacking energy: -53.941
Base-Backbone interact. energy: 3.446
local terms energy: -89.102932
where:
bonds (distance) C4'-P energy: -30.490
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: 3.679
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: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -583.870409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.870409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.870409 (E_RNA)
where:
Base-Base interactions energy: -405.613
where: short stacking energy: -181.499
Base-Backbone interact. energy: -0.615
local terms energy: -177.642490
where:
bonds (distance) C4'-P energy: -35.546
bonds (distance) P-C4' energy: -31.774
flat angles C4'-P-C4' energy: -37.539
flat angles P-C4'-P energy: -26.313
tors. eta vs tors. theta energy: -46.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -578.828471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.828471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.828471 (E_RNA)
where:
Base-Base interactions energy: -409.926
where: short stacking energy: -180.536
Base-Backbone interact. energy: -0.630
local terms energy: -168.273012
where:
bonds (distance) C4'-P energy: -29.232
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -33.419
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -50.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -520.089786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.089786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.089786 (E_RNA)
where:
Base-Base interactions energy: -352.969
where: short stacking energy: -168.199
Base-Backbone interact. energy: -0.144
local terms energy: -166.977321
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -32.055
flat angles C4'-P-C4' energy: -35.007
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -46.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -517.888709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.888709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.888709 (E_RNA)
where:
Base-Base interactions energy: -352.935
where: short stacking energy: -166.370
Base-Backbone interact. energy: -1.073
local terms energy: -163.880825
where:
bonds (distance) C4'-P energy: -28.493
bonds (distance) P-C4' energy: -32.985
flat angles C4'-P-C4' energy: -33.412
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -47.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -469.988684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.988684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.988684 (E_RNA)
where:
Base-Base interactions energy: -319.344
where: short stacking energy: -137.237
Base-Backbone interact. energy: -0.484
local terms energy: -150.160725
where:
bonds (distance) C4'-P energy: -30.645
bonds (distance) P-C4' energy: -28.615
flat angles C4'-P-C4' energy: -32.637
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -36.771
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: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -461.032315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.032315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.032315 (E_RNA)
where:
Base-Base interactions energy: -317.761
where: short stacking energy: -159.118
Base-Backbone interact. energy: -0.761
local terms energy: -142.510148
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -33.703
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -45.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -382.445627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.445627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.445627 (E_RNA)
where:
Base-Base interactions energy: -253.806
where: short stacking energy: -116.475
Base-Backbone interact. energy: 1.958
local terms energy: -130.597461
where:
bonds (distance) C4'-P energy: -35.570
bonds (distance) P-C4' energy: -28.803
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -27.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -323.373149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.373149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.373149 (E_RNA)
where:
Base-Base interactions energy: -186.916
where: short stacking energy: -111.344
Base-Backbone interact. energy: -0.100
local terms energy: -136.357078
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -35.317
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -22.628
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: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -276.053879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.053879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.053879 (E_RNA)
where:
Base-Base interactions energy: -169.450
where: short stacking energy: -90.951
Base-Backbone interact. energy: -0.356
local terms energy: -106.247493
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -28.516
flat angles P-C4'-P energy: -20.828
tors. eta vs tors. theta energy: -12.308
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: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -156.588576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.588576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.588576 (E_RNA)
where:
Base-Base interactions energy: -54.638
where: short stacking energy: -54.182
Base-Backbone interact. energy: -0.387
local terms energy: -101.563850
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -31.942
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -24.495
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -581.805172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.805172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.805172 (E_RNA)
where:
Base-Base interactions energy: -403.402
where: short stacking energy: -190.872
Base-Backbone interact. energy: -0.310
local terms energy: -178.093721
where:
bonds (distance) C4'-P energy: -33.220
bonds (distance) P-C4' energy: -27.141
flat angles C4'-P-C4' energy: -39.276
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -53.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -562.379757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.379757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.379757 (E_RNA)
where:
Base-Base interactions energy: -394.382
where: short stacking energy: -192.350
Base-Backbone interact. energy: -0.773
local terms energy: -167.224887
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -26.138
tors. eta vs tors. theta energy: -50.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -529.488718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.488718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.488718 (E_RNA)
where:
Base-Base interactions energy: -356.384
where: short stacking energy: -164.714
Base-Backbone interact. energy: -1.390
local terms energy: -171.714927
where:
bonds (distance) C4'-P energy: -33.520
bonds (distance) P-C4' energy: -34.832
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -27.896
tors. eta vs tors. theta energy: -47.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -499.572201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.572201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.572201 (E_RNA)
where:
Base-Base interactions energy: -336.884
where: short stacking energy: -152.783
Base-Backbone interact. energy: -0.613
local terms energy: -162.075199
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -37.265
flat angles P-C4'-P energy: -24.978
tors. eta vs tors. theta energy: -42.186
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: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -472.317857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.317857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.317857 (E_RNA)
where:
Base-Base interactions energy: -327.198
where: short stacking energy: -137.067
Base-Backbone interact. energy: -0.709
local terms energy: -144.411115
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -30.289
flat angles C4'-P-C4' energy: -34.805
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: -34.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -467.921994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.921994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.921994 (E_RNA)
where:
Base-Base interactions energy: -308.701
where: short stacking energy: -139.804
Base-Backbone interact. energy: -1.652
local terms energy: -157.568626
where:
bonds (distance) C4'-P energy: -27.709
bonds (distance) P-C4' energy: -34.158
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -41.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -383.432175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.432175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.432175 (E_RNA)
where:
Base-Base interactions energy: -241.820
where: short stacking energy: -129.006
Base-Backbone interact. energy: -0.488
local terms energy: -141.123591
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -28.589
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -25.886
tors. eta vs tors. theta energy: -28.365
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: 375
Temperature: 1.250000
Total energy: -296.270459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.270459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.270459 (E_RNA)
where:
Base-Base interactions energy: -180.282
where: short stacking energy: -85.967
Base-Backbone interact. energy: -2.131
local terms energy: -113.856814
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -31.385
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -21.043
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: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -325.335787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.335787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.335787 (E_RNA)
where:
Base-Base interactions energy: -195.200
where: short stacking energy: -104.708
Base-Backbone interact. energy: -0.465
local terms energy: -129.671103
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -30.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -170.404442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.404442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.404442 (E_RNA)
where:
Base-Base interactions energy: -78.636
where: short stacking energy: -53.537
Base-Backbone interact. energy: 0.831
local terms energy: -92.599663
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -580.338399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.338399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.338399 (E_RNA)
where:
Base-Base interactions energy: -394.923
where: short stacking energy: -175.104
Base-Backbone interact. energy: -0.682
local terms energy: -184.733615
where:
bonds (distance) C4'-P energy: -31.113
bonds (distance) P-C4' energy: -35.514
flat angles C4'-P-C4' energy: -36.033
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: -53.968
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: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -582.626660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.626660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.626660 (E_RNA)
where:
Base-Base interactions energy: -408.840
where: short stacking energy: -186.216
Base-Backbone interact. energy: -0.842
local terms energy: -172.944902
where:
bonds (distance) C4'-P energy: -36.887
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -36.306
flat angles P-C4'-P energy: -24.871
tors. eta vs tors. theta energy: -50.554
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: 376
Temperature: 1.000000
Total energy: -525.258210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.258210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.258210 (E_RNA)
where:
Base-Base interactions energy: -367.516
where: short stacking energy: -173.834
Base-Backbone interact. energy: -0.011
local terms energy: -157.732121
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -31.373
flat angles C4'-P-C4' energy: -32.080
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -50.292
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: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -498.445120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.445120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.445120 (E_RNA)
where:
Base-Base interactions energy: -333.330
where: short stacking energy: -151.227
Base-Backbone interact. energy: -0.144
local terms energy: -164.971564
where:
bonds (distance) C4'-P energy: -30.730
bonds (distance) P-C4' energy: -36.206
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -22.352
tors. eta vs tors. theta energy: -46.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -482.567468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.567468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.567468 (E_RNA)
where:
Base-Base interactions energy: -331.333
where: short stacking energy: -159.550
Base-Backbone interact. energy: -1.809
local terms energy: -149.424887
where:
bonds (distance) C4'-P energy: -29.871
bonds (distance) P-C4' energy: -35.270
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -38.551
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: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -477.364544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.364544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.364544 (E_RNA)
where:
Base-Base interactions energy: -332.007
where: short stacking energy: -166.245
Base-Backbone interact. energy: -2.363
local terms energy: -142.994515
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -24.195
flat angles C4'-P-C4' energy: -31.388
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -43.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -373.074053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.074053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.074053 (E_RNA)
where:
Base-Base interactions energy: -237.565
where: short stacking energy: -121.506
Base-Backbone interact. energy: 0.037
local terms energy: -135.546093
where:
bonds (distance) C4'-P energy: -25.174
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -33.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -338.314778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.314778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.314778 (E_RNA)
where:
Base-Base interactions energy: -219.442
where: short stacking energy: -118.442
Base-Backbone interact. energy: 0.767
local terms energy: -119.639175
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -34.243
flat angles C4'-P-C4' energy: -28.591
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -245.774884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.774884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.774884 (E_RNA)
where:
Base-Base interactions energy: -126.617
where: short stacking energy: -72.621
Base-Backbone interact. energy: -0.467
local terms energy: -118.690680
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -30.585
flat angles C4'-P-C4' energy: -25.516
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -153.495907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.495907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.495907 (E_RNA)
where:
Base-Base interactions energy: -68.202
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.519
local terms energy: -84.775134
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -1.380
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: 1, replica: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -597.970447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.970447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.970447 (E_RNA)
where:
Base-Base interactions energy: -418.568
where: short stacking energy: -187.594
Base-Backbone interact. energy: -0.015
local terms energy: -179.388002
where:
bonds (distance) C4'-P energy: -32.195
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -38.018
flat angles P-C4'-P energy: -30.142
tors. eta vs tors. theta energy: -53.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -588.704387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.704387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.704387 (E_RNA)
where:
Base-Base interactions energy: -412.623
where: short stacking energy: -185.752
Base-Backbone interact. energy: -0.338
local terms energy: -175.743835
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -35.112
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: -54.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -521.849991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.849991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.849991 (E_RNA)
where:
Base-Base interactions energy: -363.196
where: short stacking energy: -183.310
Base-Backbone interact. energy: -0.406
local terms energy: -158.247680
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -30.545
flat angles C4'-P-C4' energy: -36.197
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -47.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -505.609010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.609010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.609010 (E_RNA)
where:
Base-Base interactions energy: -348.609
where: short stacking energy: -162.386
Base-Backbone interact. energy: 0.311
local terms energy: -157.310943
where:
bonds (distance) C4'-P energy: -22.680
bonds (distance) P-C4' energy: -29.468
flat angles C4'-P-C4' energy: -34.907
flat angles P-C4'-P energy: -24.419
tors. eta vs tors. theta energy: -45.837
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: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -496.997895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.997895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.997895 (E_RNA)
where:
Base-Base interactions energy: -336.878
where: short stacking energy: -158.212
Base-Backbone interact. energy: -0.871
local terms energy: -159.249117
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -32.584
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -48.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -462.155110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.155110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.155110 (E_RNA)
where:
Base-Base interactions energy: -313.806
where: short stacking energy: -162.870
Base-Backbone interact. energy: 0.748
local terms energy: -149.097513
where:
bonds (distance) C4'-P energy: -23.272
bonds (distance) P-C4' energy: -34.524
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: -37.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -374.495576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.495576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.495576 (E_RNA)
where:
Base-Base interactions energy: -236.056
where: short stacking energy: -120.813
Base-Backbone interact. energy: -0.746
local terms energy: -137.693471
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -28.485
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -27.069
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: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -355.679104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.679104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.679104 (E_RNA)
where:
Base-Base interactions energy: -237.763
where: short stacking energy: -116.582
Base-Backbone interact. energy: -1.275
local terms energy: -116.641274
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -26.101
flat angles C4'-P-C4' energy: -31.861
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -232.598625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.598625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.598625 (E_RNA)
where:
Base-Base interactions energy: -132.427
where: short stacking energy: -85.923
Base-Backbone interact. energy: -0.845
local terms energy: -99.326738
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -17.191
tors. eta vs tors. theta energy: -12.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -152.386824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.386824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.386824 (E_RNA)
where:
Base-Base interactions energy: -56.453
where: short stacking energy: -53.527
Base-Backbone interact. energy: 0.279
local terms energy: -96.212830
where:
bonds (distance) C4'-P energy: -26.561
bonds (distance) P-C4' energy: -23.139
flat angles C4'-P-C4' energy: -26.282
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -0.978
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: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -600.202784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.202784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.202784 (E_RNA)
where:
Base-Base interactions energy: -416.685
where: short stacking energy: -185.176
Base-Backbone interact. energy: -0.980
local terms energy: -182.537667
where:
bonds (distance) C4'-P energy: -29.494
bonds (distance) P-C4' energy: -34.212
flat angles C4'-P-C4' energy: -39.614
flat angles P-C4'-P energy: -30.443
tors. eta vs tors. theta energy: -48.775
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: 378
Temperature: 0.950000
Total energy: -577.872013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.872013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.872013 (E_RNA)
where:
Base-Base interactions energy: -399.154
where: short stacking energy: -179.798
Base-Backbone interact. energy: 0.714
local terms energy: -179.432832
where:
bonds (distance) C4'-P energy: -29.018
bonds (distance) P-C4' energy: -39.207
flat angles C4'-P-C4' energy: -34.712
flat angles P-C4'-P energy: -26.500
tors. eta vs tors. theta energy: -49.997
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: 378
Temperature: 1.000000
Total energy: -515.817860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.817860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.817860 (E_RNA)
where:
Base-Base interactions energy: -345.745
where: short stacking energy: -164.766
Base-Backbone interact. energy: -0.735
local terms energy: -169.338032
where:
bonds (distance) C4'-P energy: -33.232
bonds (distance) P-C4' energy: -29.882
flat angles C4'-P-C4' energy: -35.565
flat angles P-C4'-P energy: -22.693
tors. eta vs tors. theta energy: -47.966
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: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -517.623245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.623245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.623245 (E_RNA)
where:
Base-Base interactions energy: -346.052
where: short stacking energy: -162.484
Base-Backbone interact. energy: -0.722
local terms energy: -170.848346
where:
bonds (distance) C4'-P energy: -30.555
bonds (distance) P-C4' energy: -34.185
flat angles C4'-P-C4' energy: -37.686
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: -41.477
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: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -495.701021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.701021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.701021 (E_RNA)
where:
Base-Base interactions energy: -330.962
where: short stacking energy: -156.016
Base-Backbone interact. energy: -0.345
local terms energy: -164.394130
where:
bonds (distance) C4'-P energy: -29.301
bonds (distance) P-C4' energy: -31.349
flat angles C4'-P-C4' energy: -34.969
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -45.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -451.611228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.611228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.611228 (E_RNA)
where:
Base-Base interactions energy: -304.036
where: short stacking energy: -146.202
Base-Backbone interact. energy: -0.159
local terms energy: -147.416265
where:
bonds (distance) C4'-P energy: -28.227
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -35.650
flat angles P-C4'-P energy: -21.573
tors. eta vs tors. theta energy: -35.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -366.725937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.725937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.725937 (E_RNA)
where:
Base-Base interactions energy: -232.043
where: short stacking energy: -113.503
Base-Backbone interact. energy: -0.640
local terms energy: -134.042817
where:
bonds (distance) C4'-P energy: -24.016
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -32.036
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -26.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -322.334711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.334711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.334711 (E_RNA)
where:
Base-Base interactions energy: -209.916
where: short stacking energy: -111.569
Base-Backbone interact. energy: 5.024
local terms energy: -117.442451
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -31.637
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: -24.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -202.144719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.144719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.144719 (E_RNA)
where:
Base-Base interactions energy: -101.763
where: short stacking energy: -66.493
Base-Backbone interact. energy: -0.288
local terms energy: -100.093009
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -24.185
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -224.690071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.690071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.690071 (E_RNA)
where:
Base-Base interactions energy: -120.431
where: short stacking energy: -79.553
Base-Backbone interact. energy: -0.421
local terms energy: -103.838561
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -28.602
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -580.747299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.747299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.747299 (E_RNA)
where:
Base-Base interactions energy: -403.764
where: short stacking energy: -190.637
Base-Backbone interact. energy: -0.233
local terms energy: -176.750559
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -37.945
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -31.930
tors. eta vs tors. theta energy: -50.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -577.047297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.047297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.047297 (E_RNA)
where:
Base-Base interactions energy: -404.001
where: short stacking energy: -183.237
Base-Backbone interact. energy: -0.374
local terms energy: -172.672422
where:
bonds (distance) C4'-P energy: -28.437
bonds (distance) P-C4' energy: -33.031
flat angles C4'-P-C4' energy: -38.227
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -49.814
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: 379
Temperature: 1.000000
Total energy: -520.093467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.093467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.093467 (E_RNA)
where:
Base-Base interactions energy: -360.741
where: short stacking energy: -168.064
Base-Backbone interact. energy: 0.231
local terms energy: -159.583160
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -30.742
flat angles C4'-P-C4' energy: -36.861
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -47.899
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: 4, replica: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -513.564148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.564148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.564148 (E_RNA)
where:
Base-Base interactions energy: -353.317
where: short stacking energy: -168.317
Base-Backbone interact. energy: -0.319
local terms energy: -159.927993
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -31.969
flat angles C4'-P-C4' energy: -30.108
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -45.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -501.074180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.074180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.074180 (E_RNA)
where:
Base-Base interactions energy: -341.653
where: short stacking energy: -173.396
Base-Backbone interact. energy: -0.008
local terms energy: -159.413606
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -28.933
flat angles C4'-P-C4' energy: -37.782
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -40.286
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: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -422.470942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.470942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.470942 (E_RNA)
where:
Base-Base interactions energy: -292.335
where: short stacking energy: -134.805
Base-Backbone interact. energy: -0.346
local terms energy: -129.790306
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -30.892
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -29.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -391.157741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.157741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.157741 (E_RNA)
where:
Base-Base interactions energy: -258.269
where: short stacking energy: -139.361
Base-Backbone interact. energy: -1.018
local terms energy: -131.870863
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -27.258
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -35.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -352.331981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.331981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.331981 (E_RNA)
where:
Base-Base interactions energy: -227.598
where: short stacking energy: -116.142
Base-Backbone interact. energy: -2.401
local terms energy: -122.332724
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -21.441
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: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -206.909445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.909445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.909445 (E_RNA)
where:
Base-Base interactions energy: -103.967
where: short stacking energy: -77.651
Base-Backbone interact. energy: 0.720
local terms energy: -103.662075
where:
bonds (distance) C4'-P energy: -27.896
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -27.034
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -205.597510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.597510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.597510 (E_RNA)
where:
Base-Base interactions energy: -118.219
where: short stacking energy: -66.807
Base-Backbone interact. energy: -0.587
local terms energy: -86.791595
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -10.111
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: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -585.244316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.244316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.244316 (E_RNA)
where:
Base-Base interactions energy: -411.413
where: short stacking energy: -188.444
Base-Backbone interact. energy: -0.860
local terms energy: -172.970656
where:
bonds (distance) C4'-P energy: -28.993
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -40.177
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -53.041
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: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -575.187758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.187758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.187758 (E_RNA)
where:
Base-Base interactions energy: -400.959
where: short stacking energy: -173.385
Base-Backbone interact. energy: -0.498
local terms energy: -173.730465
where:
bonds (distance) C4'-P energy: -25.494
bonds (distance) P-C4' energy: -32.529
flat angles C4'-P-C4' energy: -36.113
flat angles P-C4'-P energy: -29.726
tors. eta vs tors. theta energy: -49.868
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: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -524.322673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.322673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.322673 (E_RNA)
where:
Base-Base interactions energy: -357.209
where: short stacking energy: -162.158
Base-Backbone interact. energy: -1.174
local terms energy: -165.939286
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -36.227
flat angles C4'-P-C4' energy: -34.965
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -48.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -498.397280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.397280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.397280 (E_RNA)
where:
Base-Base interactions energy: -336.693
where: short stacking energy: -154.364
Base-Backbone interact. energy: -0.424
local terms energy: -161.280340
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -25.301
flat angles C4'-P-C4' energy: -32.293
flat angles P-C4'-P energy: -28.306
tors. eta vs tors. theta energy: -46.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -445.623743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.623743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.623743 (E_RNA)
where:
Base-Base interactions energy: -308.857
where: short stacking energy: -125.048
Base-Backbone interact. energy: -0.851
local terms energy: -135.915654
where:
bonds (distance) C4'-P energy: -28.367
bonds (distance) P-C4' energy: -29.158
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -30.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -472.637538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.637538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.637538 (E_RNA)
where:
Base-Base interactions energy: -320.972
where: short stacking energy: -155.259
Base-Backbone interact. energy: -0.113
local terms energy: -151.552764
where:
bonds (distance) C4'-P energy: -28.420
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -29.977
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -44.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -377.562229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.562229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.562229 (E_RNA)
where:
Base-Base interactions energy: -254.833
where: short stacking energy: -127.705
Base-Backbone interact. energy: -0.893
local terms energy: -121.836443
where:
bonds (distance) C4'-P energy: -26.420
bonds (distance) P-C4' energy: -26.360
flat angles C4'-P-C4' energy: -27.540
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -25.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -320.344791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.344791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.344791 (E_RNA)
where:
Base-Base interactions energy: -194.706
where: short stacking energy: -105.275
Base-Backbone interact. energy: -0.813
local terms energy: -124.826042
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -227.447930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.447930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.447930 (E_RNA)
where:
Base-Base interactions energy: -124.013
where: short stacking energy: -66.941
Base-Backbone interact. energy: -0.074
local terms energy: -103.360995
where:
bonds (distance) C4'-P energy: -25.412
bonds (distance) P-C4' energy: -28.603
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -23.692
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -155.765721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.765721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.765721 (E_RNA)
where:
Base-Base interactions energy: -51.274
where: short stacking energy: -45.303
Base-Backbone interact. energy: 5.578
local terms energy: -110.068792
where:
bonds (distance) C4'-P energy: -27.084
bonds (distance) P-C4' energy: -33.768
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: -11.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -589.409652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.409652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.409652 (E_RNA)
where:
Base-Base interactions energy: -415.731
where: short stacking energy: -186.193
Base-Backbone interact. energy: -0.055
local terms energy: -173.623236
where:
bonds (distance) C4'-P energy: -29.749
bonds (distance) P-C4' energy: -33.293
flat angles C4'-P-C4' energy: -35.968
flat angles P-C4'-P energy: -25.929
tors. eta vs tors. theta energy: -48.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -570.825369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.825369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.825369 (E_RNA)
where:
Base-Base interactions energy: -399.716
where: short stacking energy: -172.730
Base-Backbone interact. energy: -0.722
local terms energy: -170.387066
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -36.009
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: -50.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -539.636339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.636339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.636339 (E_RNA)
where:
Base-Base interactions energy: -363.246
where: short stacking energy: -186.351
Base-Backbone interact. energy: -1.172
local terms energy: -175.218256
where:
bonds (distance) C4'-P energy: -30.002
bonds (distance) P-C4' energy: -28.843
flat angles C4'-P-C4' energy: -37.643
flat angles P-C4'-P energy: -25.107
tors. eta vs tors. theta energy: -53.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -517.319042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.319042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.319042 (E_RNA)
where:
Base-Base interactions energy: -358.166
where: short stacking energy: -159.887
Base-Backbone interact. energy: -0.775
local terms energy: -158.377554
where:
bonds (distance) C4'-P energy: -30.470
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -24.824
tors. eta vs tors. theta energy: -45.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -456.876711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.876711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.876711 (E_RNA)
where:
Base-Base interactions energy: -303.347
where: short stacking energy: -150.363
Base-Backbone interact. energy: -0.451
local terms energy: -153.078753
where:
bonds (distance) C4'-P energy: -32.403
bonds (distance) P-C4' energy: -25.169
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -39.604
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: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -467.698611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.698611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.698611 (E_RNA)
where:
Base-Base interactions energy: -324.731
where: short stacking energy: -155.064
Base-Backbone interact. energy: -0.373
local terms energy: -142.594172
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -28.819
flat angles C4'-P-C4' energy: -32.521
flat angles P-C4'-P energy: -20.280
tors. eta vs tors. theta energy: -38.154
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: 381
Temperature: 1.200000
Total energy: -379.336621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.336621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.336621 (E_RNA)
where:
Base-Base interactions energy: -249.523
where: short stacking energy: -133.298
Base-Backbone interact. energy: -1.449
local terms energy: -128.364743
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -36.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -252.423857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.423857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.423857 (E_RNA)
where:
Base-Base interactions energy: -153.336
where: short stacking energy: -107.540
Base-Backbone interact. energy: -1.132
local terms energy: -97.955977
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -296.007796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.007796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.007796 (E_RNA)
where:
Base-Base interactions energy: -178.943
where: short stacking energy: -84.242
Base-Backbone interact. energy: -1.317
local terms energy: -115.747575
where:
bonds (distance) C4'-P energy: -36.179
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -18.129
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: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -173.896723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.896723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.896723 (E_RNA)
where:
Base-Base interactions energy: -79.812
where: short stacking energy: -65.351
Base-Backbone interact. energy: -0.396
local terms energy: -93.688132
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -590.788501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.788501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.788501 (E_RNA)
where:
Base-Base interactions energy: -409.399
where: short stacking energy: -194.854
Base-Backbone interact. energy: -0.013
local terms energy: -181.375753
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -37.286
flat angles C4'-P-C4' energy: -36.633
flat angles P-C4'-P energy: -25.462
tors. eta vs tors. theta energy: -53.723
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: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -575.982173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.982173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.982173 (E_RNA)
where:
Base-Base interactions energy: -393.562
where: short stacking energy: -175.095
Base-Backbone interact. energy: -1.207
local terms energy: -181.212679
where:
bonds (distance) C4'-P energy: -34.270
bonds (distance) P-C4' energy: -32.454
flat angles C4'-P-C4' energy: -38.693
flat angles P-C4'-P energy: -27.620
tors. eta vs tors. theta energy: -48.175
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: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -538.031707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.031707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.031707 (E_RNA)
where:
Base-Base interactions energy: -361.963
where: short stacking energy: -176.320
Base-Backbone interact. energy: -1.358
local terms energy: -174.710500
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -29.916
flat angles C4'-P-C4' energy: -36.851
flat angles P-C4'-P energy: -26.099
tors. eta vs tors. theta energy: -54.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -496.797678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.797678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.797678 (E_RNA)
where:
Base-Base interactions energy: -350.919
where: short stacking energy: -162.164
Base-Backbone interact. energy: -0.266
local terms energy: -145.611956
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -25.118
tors. eta vs tors. theta energy: -42.520
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: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -456.525088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.525088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.525088 (E_RNA)
where:
Base-Base interactions energy: -302.258
where: short stacking energy: -138.116
Base-Backbone interact. energy: -2.557
local terms energy: -151.709385
where:
bonds (distance) C4'-P energy: -37.077
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -29.632
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: -40.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -431.552722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.552722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.552722 (E_RNA)
where:
Base-Base interactions energy: -291.639
where: short stacking energy: -142.077
Base-Backbone interact. energy: -0.034
local terms energy: -139.880037
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -25.768
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -39.475
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: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -402.753774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.753774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.753774 (E_RNA)
where:
Base-Base interactions energy: -274.753
where: short stacking energy: -130.994
Base-Backbone interact. energy: -1.287
local terms energy: -126.713399
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: -32.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -262.780686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.780686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.780686 (E_RNA)
where:
Base-Base interactions energy: -140.978
where: short stacking energy: -88.781
Base-Backbone interact. energy: 0.640
local terms energy: -122.442496
where:
bonds (distance) C4'-P energy: -31.303
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -22.534
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: 382
Temperature: 1.300000
Total energy: -320.203723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.203723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.203723 (E_RNA)
where:
Base-Base interactions energy: -211.848
where: short stacking energy: -97.936
Base-Backbone interact. energy: -0.402
local terms energy: -107.954038
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -27.037
flat angles C4'-P-C4' energy: -23.633
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -161.652699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.652699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.652699 (E_RNA)
where:
Base-Base interactions energy: -61.712
where: short stacking energy: -56.092
Base-Backbone interact. energy: 0.306
local terms energy: -100.247127
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -34.482
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -593.861323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.861323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.861323 (E_RNA)
where:
Base-Base interactions energy: -412.543
where: short stacking energy: -189.700
Base-Backbone interact. energy: -0.018
local terms energy: -181.300516
where:
bonds (distance) C4'-P energy: -31.373
bonds (distance) P-C4' energy: -34.271
flat angles C4'-P-C4' energy: -34.610
flat angles P-C4'-P energy: -27.836
tors. eta vs tors. theta energy: -53.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -581.583392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.583392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.583392 (E_RNA)
where:
Base-Base interactions energy: -401.424
where: short stacking energy: -184.862
Base-Backbone interact. energy: -1.764
local terms energy: -178.395301
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -34.592
flat angles C4'-P-C4' energy: -38.223
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -51.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -534.985387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.985387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.985387 (E_RNA)
where:
Base-Base interactions energy: -356.403
where: short stacking energy: -171.514
Base-Backbone interact. energy: -0.337
local terms energy: -178.245449
where:
bonds (distance) C4'-P energy: -32.908
bonds (distance) P-C4' energy: -31.842
flat angles C4'-P-C4' energy: -35.357
flat angles P-C4'-P energy: -29.472
tors. eta vs tors. theta energy: -48.666
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: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -488.133690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.133690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.133690 (E_RNA)
where:
Base-Base interactions energy: -333.812
where: short stacking energy: -159.146
Base-Backbone interact. energy: -0.939
local terms energy: -153.382781
where:
bonds (distance) C4'-P energy: -28.426
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -32.952
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -44.257
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: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -471.141890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.141890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.141890 (E_RNA)
where:
Base-Base interactions energy: -317.991
where: short stacking energy: -152.992
Base-Backbone interact. energy: -0.960
local terms energy: -152.191425
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -26.581
flat angles C4'-P-C4' energy: -32.885
flat angles P-C4'-P energy: -22.591
tors. eta vs tors. theta energy: -41.930
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: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -386.472845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.472845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.472845 (E_RNA)
where:
Base-Base interactions energy: -248.804
where: short stacking energy: -115.499
Base-Backbone interact. energy: 1.866
local terms energy: -139.534892
where:
bonds (distance) C4'-P energy: -28.996
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: -29.857
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: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -453.421512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.421512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.421512 (E_RNA)
where:
Base-Base interactions energy: -299.829
where: short stacking energy: -141.306
Base-Backbone interact. energy: -0.314
local terms energy: -153.279190
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -31.430
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -41.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -330.913029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.913029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.913029 (E_RNA)
where:
Base-Base interactions energy: -217.761
where: short stacking energy: -106.824
Base-Backbone interact. energy: -1.099
local terms energy: -112.053780
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -25.517
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -18.603
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: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -267.065924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.065924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.065924 (E_RNA)
where:
Base-Base interactions energy: -156.530
where: short stacking energy: -94.293
Base-Backbone interact. energy: -0.145
local terms energy: -110.390587
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -26.523
flat angles C4'-P-C4' energy: -27.413
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -19.541
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: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -146.935742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.935742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.935742 (E_RNA)
where:
Base-Base interactions energy: -47.407
where: short stacking energy: -39.599
Base-Backbone interact. energy: -0.737
local terms energy: -98.791186
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -32.074
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: 10.818
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: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -587.271583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.271583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.271583 (E_RNA)
where:
Base-Base interactions energy: -401.954
where: short stacking energy: -184.978
Base-Backbone interact. energy: -0.239
local terms energy: -185.077889
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -33.396
flat angles C4'-P-C4' energy: -38.770
flat angles P-C4'-P energy: -24.801
tors. eta vs tors. theta energy: -55.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -581.037468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.037468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.037468 (E_RNA)
where:
Base-Base interactions energy: -398.118
where: short stacking energy: -182.586
Base-Backbone interact. energy: -1.118
local terms energy: -181.801158
where:
bonds (distance) C4'-P energy: -36.192
bonds (distance) P-C4' energy: -31.350
flat angles C4'-P-C4' energy: -34.674
flat angles P-C4'-P energy: -29.523
tors. eta vs tors. theta energy: -50.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -523.131452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.131452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.131452 (E_RNA)
where:
Base-Base interactions energy: -351.391
where: short stacking energy: -174.506
Base-Backbone interact. energy: -0.346
local terms energy: -171.394127
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -37.613
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -48.600
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: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -471.298305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.298305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.298305 (E_RNA)
where:
Base-Base interactions energy: -324.995
where: short stacking energy: -159.603
Base-Backbone interact. energy: -0.879
local terms energy: -145.424203
where:
bonds (distance) C4'-P energy: -29.837
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -31.280
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -43.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -497.845623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.845623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.845623 (E_RNA)
where:
Base-Base interactions energy: -331.501
where: short stacking energy: -161.296
Base-Backbone interact. energy: -0.502
local terms energy: -165.842793
where:
bonds (distance) C4'-P energy: -27.626
bonds (distance) P-C4' energy: -31.023
flat angles C4'-P-C4' energy: -33.984
flat angles P-C4'-P energy: -26.991
tors. eta vs tors. theta energy: -46.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -401.598747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.598747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.598747 (E_RNA)
where:
Base-Base interactions energy: -247.256
where: short stacking energy: -134.768
Base-Backbone interact. energy: -0.312
local terms energy: -154.029799
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -33.947
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -34.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -466.339335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.339335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.339335 (E_RNA)
where:
Base-Base interactions energy: -323.657
where: short stacking energy: -135.072
Base-Backbone interact. energy: -0.772
local terms energy: -141.909758
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -30.291
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -34.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -299.875528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.875528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.875528 (E_RNA)
where:
Base-Base interactions energy: -179.528
where: short stacking energy: -103.289
Base-Backbone interact. energy: -0.946
local terms energy: -119.401972
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -32.588
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -20.982
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -266.055220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.055220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.055220 (E_RNA)
where:
Base-Base interactions energy: -159.361
where: short stacking energy: -78.273
Base-Backbone interact. energy: -0.709
local terms energy: -105.984838
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -21.308
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -16.641
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: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -164.481251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.481251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.481251 (E_RNA)
where:
Base-Base interactions energy: -76.216
where: short stacking energy: -47.137
Base-Backbone interact. energy: -0.866
local terms energy: -87.398944
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: 0.872
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: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -576.494633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.494633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.494633 (E_RNA)
where:
Base-Base interactions energy: -417.636
where: short stacking energy: -191.424
Base-Backbone interact. energy: -0.329
local terms energy: -158.529317
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -23.667
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -47.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -573.984733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.984733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.984733 (E_RNA)
where:
Base-Base interactions energy: -405.123
where: short stacking energy: -176.769
Base-Backbone interact. energy: 0.474
local terms energy: -169.335946
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -29.535
flat angles C4'-P-C4' energy: -32.706
flat angles P-C4'-P energy: -27.928
tors. eta vs tors. theta energy: -46.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -522.403902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.403902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.403902 (E_RNA)
where:
Base-Base interactions energy: -348.484
where: short stacking energy: -170.596
Base-Backbone interact. energy: -1.253
local terms energy: -172.667312
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -30.121
flat angles C4'-P-C4' energy: -34.448
flat angles P-C4'-P energy: -26.395
tors. eta vs tors. theta energy: -48.902
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: 385
Temperature: 1.050000
Total energy: -498.983359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.983359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.983359 (E_RNA)
where:
Base-Base interactions energy: -331.590
where: short stacking energy: -144.569
Base-Backbone interact. energy: -0.187
local terms energy: -167.205938
where:
bonds (distance) C4'-P energy: -36.251
bonds (distance) P-C4' energy: -31.286
flat angles C4'-P-C4' energy: -35.439
flat angles P-C4'-P energy: -25.227
tors. eta vs tors. theta energy: -39.003
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: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -470.591507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.591507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.591507 (E_RNA)
where:
Base-Base interactions energy: -311.315
where: short stacking energy: -150.157
Base-Backbone interact. energy: -1.106
local terms energy: -158.170011
where:
bonds (distance) C4'-P energy: -30.288
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -34.733
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -44.521
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: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -487.330432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.330432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.330432 (E_RNA)
where:
Base-Base interactions energy: -330.115
where: short stacking energy: -161.989
Base-Backbone interact. energy: -0.250
local terms energy: -156.964717
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -25.823
tors. eta vs tors. theta energy: -43.935
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: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -398.824885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.824885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.824885 (E_RNA)
where:
Base-Base interactions energy: -256.953
where: short stacking energy: -116.872
Base-Backbone interact. energy: 1.237
local terms energy: -143.108825
where:
bonds (distance) C4'-P energy: -32.769
bonds (distance) P-C4' energy: -33.609
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -28.867
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: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -290.522269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.522269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.522269 (E_RNA)
where:
Base-Base interactions energy: -176.540
where: short stacking energy: -92.971
Base-Backbone interact. energy: -0.723
local terms energy: -113.258767
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -27.010
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -16.536
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: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -250.820971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.820971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.820971 (E_RNA)
where:
Base-Base interactions energy: -138.405
where: short stacking energy: -79.786
Base-Backbone interact. energy: 0.733
local terms energy: -113.148621
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -29.164
flat angles C4'-P-C4' energy: -25.509
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -13.126
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: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -147.630850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.630850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.630850 (E_RNA)
where:
Base-Base interactions energy: -55.860
where: short stacking energy: -52.668
Base-Backbone interact. energy: 0.596
local terms energy: -92.366172
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: 2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -590.354163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.354163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.354163 (E_RNA)
where:
Base-Base interactions energy: -412.565
where: short stacking energy: -189.947
Base-Backbone interact. energy: -0.793
local terms energy: -176.996635
where:
bonds (distance) C4'-P energy: -31.253
bonds (distance) P-C4' energy: -32.219
flat angles C4'-P-C4' energy: -36.370
flat angles P-C4'-P energy: -26.510
tors. eta vs tors. theta energy: -50.645
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: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -578.573501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.573501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.573501 (E_RNA)
where:
Base-Base interactions energy: -400.215
where: short stacking energy: -177.959
Base-Backbone interact. energy: -0.538
local terms energy: -177.820655
where:
bonds (distance) C4'-P energy: -34.092
bonds (distance) P-C4' energy: -27.919
flat angles C4'-P-C4' energy: -39.411
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -50.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -522.656122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.656122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.656122 (E_RNA)
where:
Base-Base interactions energy: -374.069
where: short stacking energy: -173.314
Base-Backbone interact. energy: -0.696
local terms energy: -147.891035
where:
bonds (distance) C4'-P energy: -29.286
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -30.256
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -42.915
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: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -509.481712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.481712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.481712 (E_RNA)
where:
Base-Base interactions energy: -338.840
where: short stacking energy: -161.965
Base-Backbone interact. energy: -1.145
local terms energy: -169.496665
where:
bonds (distance) C4'-P energy: -33.079
bonds (distance) P-C4' energy: -35.255
flat angles C4'-P-C4' energy: -30.561
flat angles P-C4'-P energy: -19.274
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: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -490.190435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.190435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.190435 (E_RNA)
where:
Base-Base interactions energy: -325.889
where: short stacking energy: -153.092
Base-Backbone interact. energy: -2.505
local terms energy: -161.796133
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -30.032
flat angles C4'-P-C4' energy: -36.633
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -45.105
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: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -457.034413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.034413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.034413 (E_RNA)
where:
Base-Base interactions energy: -305.924
where: short stacking energy: -146.261
Base-Backbone interact. energy: -1.338
local terms energy: -149.772874
where:
bonds (distance) C4'-P energy: -30.582
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -35.938
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -39.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -377.482585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.482585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.482585 (E_RNA)
where:
Base-Base interactions energy: -239.828
where: short stacking energy: -98.628
Base-Backbone interact. energy: -0.600
local terms energy: -137.054795
where:
bonds (distance) C4'-P energy: -30.938
bonds (distance) P-C4' energy: -34.833
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -23.534
tors. eta vs tors. theta energy: -24.066
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: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -272.581528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.581528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.581528 (E_RNA)
where:
Base-Base interactions energy: -160.657
where: short stacking energy: -83.382
Base-Backbone interact. energy: -0.627
local terms energy: -111.297419
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -247.887285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.887285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.887285 (E_RNA)
where:
Base-Base interactions energy: -133.233
where: short stacking energy: -75.300
Base-Backbone interact. energy: -0.420
local terms energy: -114.234346
where:
bonds (distance) C4'-P energy: -29.449
bonds (distance) P-C4' energy: -26.050
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -16.671
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: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -158.112390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.112390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.112390 (E_RNA)
where:
Base-Base interactions energy: -59.107
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.768
local terms energy: -98.237529
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -14.313
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: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -590.934737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.934737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.934737 (E_RNA)
where:
Base-Base interactions energy: -412.660
where: short stacking energy: -187.252
Base-Backbone interact. energy: -0.759
local terms energy: -177.516029
where:
bonds (distance) C4'-P energy: -33.017
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -49.067
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: 387
Temperature: 0.950000
Total energy: -569.644350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.644350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.644350 (E_RNA)
where:
Base-Base interactions energy: -396.819
where: short stacking energy: -181.074
Base-Backbone interact. energy: -0.707
local terms energy: -172.118345
where:
bonds (distance) C4'-P energy: -35.347
bonds (distance) P-C4' energy: -29.037
flat angles C4'-P-C4' energy: -35.907
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -48.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -510.563534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.563534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.563534 (E_RNA)
where:
Base-Base interactions energy: -349.218
where: short stacking energy: -166.981
Base-Backbone interact. energy: -0.223
local terms energy: -161.123260
where:
bonds (distance) C4'-P energy: -37.513
bonds (distance) P-C4' energy: -35.675
flat angles C4'-P-C4' energy: -27.621
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -40.092
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: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -508.546484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.546484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.546484 (E_RNA)
where:
Base-Base interactions energy: -340.464
where: short stacking energy: -164.031
Base-Backbone interact. energy: -0.633
local terms energy: -167.450014
where:
bonds (distance) C4'-P energy: -34.760
bonds (distance) P-C4' energy: -31.401
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -47.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -443.786850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.786850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.786850 (E_RNA)
where:
Base-Base interactions energy: -298.751
where: short stacking energy: -139.469
Base-Backbone interact. energy: 1.326
local terms energy: -146.361619
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -33.874
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -40.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -441.186823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.186823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.186823 (E_RNA)
where:
Base-Base interactions energy: -297.272
where: short stacking energy: -141.442
Base-Backbone interact. energy: -0.561
local terms energy: -143.353431
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -32.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -401.991062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.991062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.991062 (E_RNA)
where:
Base-Base interactions energy: -261.683
where: short stacking energy: -133.819
Base-Backbone interact. energy: 0.237
local terms energy: -140.544826
where:
bonds (distance) C4'-P energy: -24.357
bonds (distance) P-C4' energy: -38.081
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -23.525
tors. eta vs tors. theta energy: -35.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -251.169090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.169090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.169090 (E_RNA)
where:
Base-Base interactions energy: -131.688
where: short stacking energy: -77.958
Base-Backbone interact. energy: -0.190
local terms energy: -119.291173
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -37.767
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -11.264
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: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -268.492519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.492519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.492519 (E_RNA)
where:
Base-Base interactions energy: -149.473
where: short stacking energy: -85.746
Base-Backbone interact. energy: -0.631
local terms energy: -118.388705
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -30.261
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -14.678
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: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -162.829256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.829256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.829256 (E_RNA)
where:
Base-Base interactions energy: -55.963
where: short stacking energy: -50.233
Base-Backbone interact. energy: -1.372
local terms energy: -105.494912
where:
bonds (distance) C4'-P energy: -27.094
bonds (distance) P-C4' energy: -31.324
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: 2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -581.087491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.087491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.087491 (E_RNA)
where:
Base-Base interactions energy: -402.824
where: short stacking energy: -183.808
Base-Backbone interact. energy: -1.269
local terms energy: -176.994101
where:
bonds (distance) C4'-P energy: -30.440
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -36.848
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -49.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -586.283710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.283710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.283710 (E_RNA)
where:
Base-Base interactions energy: -406.179
where: short stacking energy: -182.343
Base-Backbone interact. energy: -0.090
local terms energy: -180.015166
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -34.932
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -29.154
tors. eta vs tors. theta energy: -49.949
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: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -537.985810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.985810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.985810 (E_RNA)
where:
Base-Base interactions energy: -365.232
where: short stacking energy: -178.064
Base-Backbone interact. energy: 0.286
local terms energy: -173.040435
where:
bonds (distance) C4'-P energy: -30.789
bonds (distance) P-C4' energy: -32.043
flat angles C4'-P-C4' energy: -32.809
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -51.796
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: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -507.542070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.542070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.542070 (E_RNA)
where:
Base-Base interactions energy: -346.202
where: short stacking energy: -160.086
Base-Backbone interact. energy: -2.509
local terms energy: -158.831593
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -20.774
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: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -459.021916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.021916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.021916 (E_RNA)
where:
Base-Base interactions energy: -316.820
where: short stacking energy: -129.730
Base-Backbone interact. energy: -0.354
local terms energy: -141.848871
where:
bonds (distance) C4'-P energy: -28.656
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -35.315
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -34.870
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: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -429.318080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.318080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.318080 (E_RNA)
where:
Base-Base interactions energy: -284.764
where: short stacking energy: -116.498
Base-Backbone interact. energy: -0.956
local terms energy: -143.598283
where:
bonds (distance) C4'-P energy: -29.886
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -35.272
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -30.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -395.130004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.130004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.130004 (E_RNA)
where:
Base-Base interactions energy: -256.724
where: short stacking energy: -133.400
Base-Backbone interact. energy: 0.167
local terms energy: -138.573054
where:
bonds (distance) C4'-P energy: -25.610
bonds (distance) P-C4' energy: -33.817
flat angles C4'-P-C4' energy: -35.521
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -30.837
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: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -252.334723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.334723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.334723 (E_RNA)
where:
Base-Base interactions energy: -122.768
where: short stacking energy: -69.891
Base-Backbone interact. energy: -0.112
local terms energy: -129.454674
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -29.106
flat angles P-C4'-P energy: -24.515
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -283.129658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.129658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.129658 (E_RNA)
where:
Base-Base interactions energy: -165.572
where: short stacking energy: -88.976
Base-Backbone interact. energy: 1.346
local terms energy: -118.903603
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -34.103
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -20.719
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -157.148589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.148589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.148589 (E_RNA)
where:
Base-Base interactions energy: -60.020
where: short stacking energy: -55.958
Base-Backbone interact. energy: -0.675
local terms energy: -96.453502
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -29.365
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -1.215
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: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -569.444253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.444253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.444253 (E_RNA)
where:
Base-Base interactions energy: -386.568
where: short stacking energy: -173.307
Base-Backbone interact. energy: -1.465
local terms energy: -181.411130
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -35.029
flat angles C4'-P-C4' energy: -36.134
flat angles P-C4'-P energy: -30.895
tors. eta vs tors. theta energy: -46.099
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: 2, replica: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -565.368043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.368043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.368043 (E_RNA)
where:
Base-Base interactions energy: -385.557
where: short stacking energy: -162.906
Base-Backbone interact. energy: -0.328
local terms energy: -179.482564
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -37.818
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -28.251
tors. eta vs tors. theta energy: -48.414
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: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -524.731267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.731267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.731267 (E_RNA)
where:
Base-Base interactions energy: -352.982
where: short stacking energy: -167.360
Base-Backbone interact. energy: -0.603
local terms energy: -171.145744
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -24.949
flat angles C4'-P-C4' energy: -38.174
flat angles P-C4'-P energy: -29.202
tors. eta vs tors. theta energy: -50.354
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: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -506.212078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.212078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.212078 (E_RNA)
where:
Base-Base interactions energy: -341.154
where: short stacking energy: -162.665
Base-Backbone interact. energy: -0.703
local terms energy: -164.355359
where:
bonds (distance) C4'-P energy: -29.504
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -38.235
flat angles P-C4'-P energy: -26.001
tors. eta vs tors. theta energy: -46.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -447.455050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.455050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.455050 (E_RNA)
where:
Base-Base interactions energy: -303.326
where: short stacking energy: -144.941
Base-Backbone interact. energy: -1.421
local terms energy: -142.708922
where:
bonds (distance) C4'-P energy: -28.310
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -34.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -455.096027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.096027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.096027 (E_RNA)
where:
Base-Base interactions energy: -297.606
where: short stacking energy: -146.431
Base-Backbone interact. energy: -0.623
local terms energy: -156.867626
where:
bonds (distance) C4'-P energy: -29.841
bonds (distance) P-C4' energy: -31.335
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -43.728
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: 389
Temperature: 1.200000
Total energy: -392.333526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.333526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.333526 (E_RNA)
where:
Base-Base interactions energy: -246.872
where: short stacking energy: -117.923
Base-Backbone interact. energy: 0.293
local terms energy: -145.753764
where:
bonds (distance) C4'-P energy: -29.764
bonds (distance) P-C4' energy: -28.496
flat angles C4'-P-C4' energy: -33.253
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -37.557
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: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -341.106181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.106181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.106181 (E_RNA)
where:
Base-Base interactions energy: -217.174
where: short stacking energy: -112.596
Base-Backbone interact. energy: -0.235
local terms energy: -123.697283
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -28.400
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -249.307862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.307862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.307862 (E_RNA)
where:
Base-Base interactions energy: -147.218
where: short stacking energy: -93.579
Base-Backbone interact. energy: -0.434
local terms energy: -101.655899
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -23.066
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -155.165258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.165258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.165258 (E_RNA)
where:
Base-Base interactions energy: -62.551
where: short stacking energy: -61.247
Base-Backbone interact. energy: -1.033
local terms energy: -91.581973
where:
bonds (distance) C4'-P energy: -24.372
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -6.653
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: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -591.677906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.677906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.677906 (E_RNA)
where:
Base-Base interactions energy: -412.787
where: short stacking energy: -181.152
Base-Backbone interact. energy: -0.518
local terms energy: -178.372885
where:
bonds (distance) C4'-P energy: -30.227
bonds (distance) P-C4' energy: -32.317
flat angles C4'-P-C4' energy: -35.681
flat angles P-C4'-P energy: -28.174
tors. eta vs tors. theta energy: -51.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -569.018740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.018740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.018740 (E_RNA)
where:
Base-Base interactions energy: -395.123
where: short stacking energy: -175.592
Base-Backbone interact. energy: -0.436
local terms energy: -173.460352
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -33.354
flat angles C4'-P-C4' energy: -39.270
flat angles P-C4'-P energy: -28.951
tors. eta vs tors. theta energy: -44.923
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: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -524.260840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.260840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.260840 (E_RNA)
where:
Base-Base interactions energy: -356.749
where: short stacking energy: -176.316
Base-Backbone interact. energy: -0.445
local terms energy: -167.066923
where:
bonds (distance) C4'-P energy: -33.389
bonds (distance) P-C4' energy: -31.167
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -45.791
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: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -512.517612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.517612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.517612 (E_RNA)
where:
Base-Base interactions energy: -343.710
where: short stacking energy: -167.768
Base-Backbone interact. energy: -0.291
local terms energy: -168.516093
where:
bonds (distance) C4'-P energy: -28.750
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -34.848
flat angles P-C4'-P energy: -25.241
tors. eta vs tors. theta energy: -46.511
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: 390
Temperature: 1.100000
Total energy: -443.508168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.508168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.508168 (E_RNA)
where:
Base-Base interactions energy: -307.366
where: short stacking energy: -136.299
Base-Backbone interact. energy: -0.600
local terms energy: -135.541851
where:
bonds (distance) C4'-P energy: -24.944
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -36.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -433.710803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.710803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.710803 (E_RNA)
where:
Base-Base interactions energy: -290.916
where: short stacking energy: -138.717
Base-Backbone interact. energy: -0.109
local terms energy: -142.686042
where:
bonds (distance) C4'-P energy: -29.520
bonds (distance) P-C4' energy: -33.637
flat angles C4'-P-C4' energy: -28.126
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -35.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -365.830056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.830056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.830056 (E_RNA)
where:
Base-Base interactions energy: -232.841
where: short stacking energy: -122.345
Base-Backbone interact. energy: 0.120
local terms energy: -133.108218
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -28.531
flat angles P-C4'-P energy: -21.475
tors. eta vs tors. theta energy: -25.535
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: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -369.807988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.807988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.807988 (E_RNA)
where:
Base-Base interactions energy: -233.838
where: short stacking energy: -117.373
Base-Backbone interact. energy: 0.089
local terms energy: -136.059552
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -26.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -225.849159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.849159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.849159 (E_RNA)
where:
Base-Base interactions energy: -125.165
where: short stacking energy: -72.512
Base-Backbone interact. energy: 0.190
local terms energy: -100.874484
where:
bonds (distance) C4'-P energy: -29.321
bonds (distance) P-C4' energy: -28.083
flat angles C4'-P-C4' energy: -28.385
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -5.567
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: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -167.251042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.251042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.251042 (E_RNA)
where:
Base-Base interactions energy: -61.652
where: short stacking energy: -61.645
Base-Backbone interact. energy: -0.811
local terms energy: -104.788357
where:
bonds (distance) C4'-P energy: -25.867
bonds (distance) P-C4' energy: -29.718
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -18.241
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: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -584.693130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.693130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.693130 (E_RNA)
where:
Base-Base interactions energy: -406.648
where: short stacking energy: -179.610
Base-Backbone interact. energy: -0.971
local terms energy: -177.073889
where:
bonds (distance) C4'-P energy: -29.173
bonds (distance) P-C4' energy: -33.627
flat angles C4'-P-C4' energy: -38.521
flat angles P-C4'-P energy: -27.110
tors. eta vs tors. theta energy: -48.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -582.072532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.072532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.072532 (E_RNA)
where:
Base-Base interactions energy: -405.454
where: short stacking energy: -180.768
Base-Backbone interact. energy: -0.008
local terms energy: -176.609796
where:
bonds (distance) C4'-P energy: -33.278
bonds (distance) P-C4' energy: -28.530
flat angles C4'-P-C4' energy: -39.781
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -52.787
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: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -514.424679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.424679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.424679 (E_RNA)
where:
Base-Base interactions energy: -354.098
where: short stacking energy: -166.276
Base-Backbone interact. energy: -0.114
local terms energy: -160.212280
where:
bonds (distance) C4'-P energy: -30.413
bonds (distance) P-C4' energy: -32.283
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -40.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -520.460349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.460349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.460349 (E_RNA)
where:
Base-Base interactions energy: -355.481
where: short stacking energy: -174.916
Base-Backbone interact. energy: -0.074
local terms energy: -164.905646
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -30.432
flat angles C4'-P-C4' energy: -33.486
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -46.644
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: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -446.000766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.000766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.000766 (E_RNA)
where:
Base-Base interactions energy: -293.104
where: short stacking energy: -153.140
Base-Backbone interact. energy: -0.470
local terms energy: -152.426716
where:
bonds (distance) C4'-P energy: -29.662
bonds (distance) P-C4' energy: -29.813
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -39.486
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: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -479.094719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.094719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.094719 (E_RNA)
where:
Base-Base interactions energy: -319.040
where: short stacking energy: -148.683
Base-Backbone interact. energy: -0.924
local terms energy: -159.130143
where:
bonds (distance) C4'-P energy: -35.237
bonds (distance) P-C4' energy: -30.386
flat angles C4'-P-C4' energy: -34.185
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -42.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -361.278387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.278387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.278387 (E_RNA)
where:
Base-Base interactions energy: -233.636
where: short stacking energy: -129.349
Base-Backbone interact. energy: -0.280
local terms energy: -127.362379
where:
bonds (distance) C4'-P energy: -25.386
bonds (distance) P-C4' energy: -28.267
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -28.601
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: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -350.032616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.032616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.032616 (E_RNA)
where:
Base-Base interactions energy: -214.440
where: short stacking energy: -106.296
Base-Backbone interact. energy: -0.207
local terms energy: -135.385685
where:
bonds (distance) C4'-P energy: -34.277
bonds (distance) P-C4' energy: -35.074
flat angles C4'-P-C4' energy: -27.897
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -229.806539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.806539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.806539 (E_RNA)
where:
Base-Base interactions energy: -127.184
where: short stacking energy: -70.705
Base-Backbone interact. energy: 5.639
local terms energy: -108.261301
where:
bonds (distance) C4'-P energy: -27.312
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -15.554
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -143.789683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.789683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.789683 (E_RNA)
where:
Base-Base interactions energy: -56.242
where: short stacking energy: -54.813
Base-Backbone interact. energy: -0.135
local terms energy: -87.413051
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -31.580
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: 0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -598.586207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.586207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.586207 (E_RNA)
where:
Base-Base interactions energy: -414.460
where: short stacking energy: -182.497
Base-Backbone interact. energy: -0.299
local terms energy: -183.827088
where:
bonds (distance) C4'-P energy: -33.085
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -37.398
flat angles P-C4'-P energy: -29.336
tors. eta vs tors. theta energy: -52.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -579.091765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.091765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.091765 (E_RNA)
where:
Base-Base interactions energy: -393.700
where: short stacking energy: -185.229
Base-Backbone interact. energy: -0.673
local terms energy: -184.719032
where:
bonds (distance) C4'-P energy: -33.405
bonds (distance) P-C4' energy: -31.556
flat angles C4'-P-C4' energy: -36.936
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -52.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -521.280462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.280462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.280462 (E_RNA)
where:
Base-Base interactions energy: -345.524
where: short stacking energy: -169.969
Base-Backbone interact. energy: -0.222
local terms energy: -175.535142
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -35.398
flat angles C4'-P-C4' energy: -33.841
flat angles P-C4'-P energy: -24.128
tors. eta vs tors. theta energy: -48.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -511.579581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.579581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.579581 (E_RNA)
where:
Base-Base interactions energy: -345.661
where: short stacking energy: -161.806
Base-Backbone interact. energy: -0.441
local terms energy: -165.477442
where:
bonds (distance) C4'-P energy: -28.416
bonds (distance) P-C4' energy: -35.237
flat angles C4'-P-C4' energy: -34.419
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -42.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -472.100319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.100319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.100319 (E_RNA)
where:
Base-Base interactions energy: -313.574
where: short stacking energy: -138.962
Base-Backbone interact. energy: -2.877
local terms energy: -155.649109
where:
bonds (distance) C4'-P energy: -31.503
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -34.878
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -43.578
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: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -423.085071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.085071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.085071 (E_RNA)
where:
Base-Base interactions energy: -271.295
where: short stacking energy: -135.527
Base-Backbone interact. energy: -0.839
local terms energy: -150.950645
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -32.282
flat angles C4'-P-C4' energy: -36.110
flat angles P-C4'-P energy: -21.293
tors. eta vs tors. theta energy: -38.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -385.809009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.809009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.809009 (E_RNA)
where:
Base-Base interactions energy: -241.323
where: short stacking energy: -128.189
Base-Backbone interact. energy: -0.897
local terms energy: -143.589013
where:
bonds (distance) C4'-P energy: -29.533
bonds (distance) P-C4' energy: -30.694
flat angles C4'-P-C4' energy: -30.810
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: -27.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -343.174377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.174377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.174377 (E_RNA)
where:
Base-Base interactions energy: -210.619
where: short stacking energy: -107.539
Base-Backbone interact. energy: -0.359
local terms energy: -132.195616
where:
bonds (distance) C4'-P energy: -33.857
bonds (distance) P-C4' energy: -30.431
flat angles C4'-P-C4' energy: -32.974
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -19.938
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: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -252.265397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.265397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.265397 (E_RNA)
where:
Base-Base interactions energy: -138.209
where: short stacking energy: -76.499
Base-Backbone interact. energy: -0.264
local terms energy: -113.792316
where:
bonds (distance) C4'-P energy: -27.184
bonds (distance) P-C4' energy: -27.226
flat angles C4'-P-C4' energy: -29.845
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -14.954
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: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -172.917006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.917006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.917006 (E_RNA)
where:
Base-Base interactions energy: -87.254
where: short stacking energy: -73.153
Base-Backbone interact. energy: -0.443
local terms energy: -85.220727
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -578.890282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.890282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.890282 (E_RNA)
where:
Base-Base interactions energy: -401.683
where: short stacking energy: -182.064
Base-Backbone interact. energy: -0.087
local terms energy: -177.119890
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -37.466
flat angles C4'-P-C4' energy: -36.790
flat angles P-C4'-P energy: -28.740
tors. eta vs tors. theta energy: -45.836
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: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -587.621005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.621005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.621005 (E_RNA)
where:
Base-Base interactions energy: -405.514
where: short stacking energy: -183.377
Base-Backbone interact. energy: -0.838
local terms energy: -181.268534
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -33.529
flat angles C4'-P-C4' energy: -37.520
flat angles P-C4'-P energy: -27.962
tors. eta vs tors. theta energy: -55.175
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: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -519.509925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.509925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.509925 (E_RNA)
where:
Base-Base interactions energy: -356.808
where: short stacking energy: -174.734
Base-Backbone interact. energy: -0.143
local terms energy: -162.558061
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -26.432
flat angles C4'-P-C4' energy: -34.000
flat angles P-C4'-P energy: -23.246
tors. eta vs tors. theta energy: -48.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -515.397330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.397330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.397330 (E_RNA)
where:
Base-Base interactions energy: -346.670
where: short stacking energy: -167.364
Base-Backbone interact. energy: -0.012
local terms energy: -168.715138
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -32.006
flat angles C4'-P-C4' energy: -31.114
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -50.812
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: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -478.959332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.959332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.959332 (E_RNA)
where:
Base-Base interactions energy: -324.595
where: short stacking energy: -154.043
Base-Backbone interact. energy: -0.237
local terms energy: -154.127348
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -33.094
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -40.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -426.291947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.291947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.291947 (E_RNA)
where:
Base-Base interactions energy: -289.535
where: short stacking energy: -127.145
Base-Backbone interact. energy: -1.276
local terms energy: -135.481037
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -35.479
flat angles C4'-P-C4' energy: -27.996
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -31.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -411.104354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.104354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.104354 (E_RNA)
where:
Base-Base interactions energy: -266.262
where: short stacking energy: -136.684
Base-Backbone interact. energy: -0.765
local terms energy: -144.078153
where:
bonds (distance) C4'-P energy: -28.542
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -33.424
flat angles P-C4'-P energy: -21.987
tors. eta vs tors. theta energy: -34.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -352.393970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.393970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.393970 (E_RNA)
where:
Base-Base interactions energy: -227.306
where: short stacking energy: -118.866
Base-Backbone interact. energy: -0.633
local terms energy: -124.454654
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -24.795
flat angles C4'-P-C4' energy: -29.648
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -24.360
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: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -242.243880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.243880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.243880 (E_RNA)
where:
Base-Base interactions energy: -145.383
where: short stacking energy: -94.344
Base-Backbone interact. energy: -0.098
local terms energy: -96.762515
where:
bonds (distance) C4'-P energy: -30.886
bonds (distance) P-C4' energy: -26.634
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -12.999
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: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -148.927462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.927462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.927462 (E_RNA)
where:
Base-Base interactions energy: -49.221
where: short stacking energy: -46.195
Base-Backbone interact. energy: -0.653
local terms energy: -99.052645
where:
bonds (distance) C4'-P energy: -34.287
bonds (distance) P-C4' energy: -27.310
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -578.948323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.948323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.948323 (E_RNA)
where:
Base-Base interactions energy: -408.504
where: short stacking energy: -187.152
Base-Backbone interact. energy: -1.103
local terms energy: -169.341050
where:
bonds (distance) C4'-P energy: -30.814
bonds (distance) P-C4' energy: -31.015
flat angles C4'-P-C4' energy: -33.688
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -48.460
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: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -587.704099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.704099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.704099 (E_RNA)
where:
Base-Base interactions energy: -404.224
where: short stacking energy: -179.140
Base-Backbone interact. energy: -1.434
local terms energy: -182.046286
where:
bonds (distance) C4'-P energy: -31.742
bonds (distance) P-C4' energy: -33.329
flat angles C4'-P-C4' energy: -38.548
flat angles P-C4'-P energy: -27.610
tors. eta vs tors. theta energy: -50.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -527.081246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.081246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.081246 (E_RNA)
where:
Base-Base interactions energy: -364.160
where: short stacking energy: -165.757
Base-Backbone interact. energy: 0.522
local terms energy: -163.443181
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -36.365
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -42.699
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: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -514.502391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.502391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.502391 (E_RNA)
where:
Base-Base interactions energy: -350.245
where: short stacking energy: -182.282
Base-Backbone interact. energy: -0.187
local terms energy: -164.070162
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -37.181
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -52.208
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: 394
Temperature: 1.100000
Total energy: -492.534539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.534539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.534539 (E_RNA)
where:
Base-Base interactions energy: -329.521
where: short stacking energy: -152.797
Base-Backbone interact. energy: -1.444
local terms energy: -161.569661
where:
bonds (distance) C4'-P energy: -29.646
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -36.589
flat angles P-C4'-P energy: -21.784
tors. eta vs tors. theta energy: -43.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -460.449150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.449150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.449150 (E_RNA)
where:
Base-Base interactions energy: -314.074
where: short stacking energy: -148.425
Base-Backbone interact. energy: -1.184
local terms energy: -145.190824
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -18.811
tors. eta vs tors. theta energy: -41.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -389.943698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.943698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.943698 (E_RNA)
where:
Base-Base interactions energy: -259.430
where: short stacking energy: -135.790
Base-Backbone interact. energy: -0.313
local terms energy: -130.201111
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -30.504
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -28.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -345.690191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.690191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.690191 (E_RNA)
where:
Base-Base interactions energy: -230.248
where: short stacking energy: -115.989
Base-Backbone interact. energy: -0.102
local terms energy: -115.339745
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -27.277
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: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -239.736975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.736975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.736975 (E_RNA)
where:
Base-Base interactions energy: -140.760
where: short stacking energy: -80.478
Base-Backbone interact. energy: 1.317
local terms energy: -100.293775
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -29.540
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -6.739
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: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -157.390209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.390209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.390209 (E_RNA)
where:
Base-Base interactions energy: -56.867
where: short stacking energy: -46.602
Base-Backbone interact. energy: 0.761
local terms energy: -101.284774
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -28.135
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: 0.135
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: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -585.419610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.419610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.419610 (E_RNA)
where:
Base-Base interactions energy: -405.962
where: short stacking energy: -176.678
Base-Backbone interact. energy: -0.528
local terms energy: -178.929799
where:
bonds (distance) C4'-P energy: -32.723
bonds (distance) P-C4' energy: -35.782
flat angles C4'-P-C4' energy: -35.599
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -49.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -588.367506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.367506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.367506 (E_RNA)
where:
Base-Base interactions energy: -418.979
where: short stacking energy: -181.402
Base-Backbone interact. energy: -0.512
local terms energy: -168.876464
where:
bonds (distance) C4'-P energy: -28.442
bonds (distance) P-C4' energy: -33.041
flat angles C4'-P-C4' energy: -33.874
flat angles P-C4'-P energy: -26.210
tors. eta vs tors. theta energy: -47.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -534.326399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.326399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.326399 (E_RNA)
where:
Base-Base interactions energy: -361.931
where: short stacking energy: -167.669
Base-Backbone interact. energy: -0.799
local terms energy: -171.596703
where:
bonds (distance) C4'-P energy: -29.184
bonds (distance) P-C4' energy: -31.676
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -26.992
tors. eta vs tors. theta energy: -50.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -523.542557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.542557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.542557 (E_RNA)
where:
Base-Base interactions energy: -358.822
where: short stacking energy: -167.871
Base-Backbone interact. energy: -0.263
local terms energy: -164.458108
where:
bonds (distance) C4'-P energy: -32.073
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: -49.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -482.760943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.760943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.760943 (E_RNA)
where:
Base-Base interactions energy: -330.554
where: short stacking energy: -156.620
Base-Backbone interact. energy: -0.917
local terms energy: -151.290076
where:
bonds (distance) C4'-P energy: -28.437
bonds (distance) P-C4' energy: -32.897
flat angles C4'-P-C4' energy: -33.504
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -40.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -462.157083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.157083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.157083 (E_RNA)
where:
Base-Base interactions energy: -325.765
where: short stacking energy: -149.387
Base-Backbone interact. energy: -0.830
local terms energy: -135.562666
where:
bonds (distance) C4'-P energy: -24.154
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -31.436
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -41.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -366.735093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.735093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.735093 (E_RNA)
where:
Base-Base interactions energy: -248.449
where: short stacking energy: -140.124
Base-Backbone interact. energy: -0.410
local terms energy: -117.875694
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -25.756
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -27.418
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: 395
Temperature: 1.250000
Total energy: -341.722117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.722117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.722117 (E_RNA)
where:
Base-Base interactions energy: -229.995
where: short stacking energy: -118.659
Base-Backbone interact. energy: -0.493
local terms energy: -111.233795
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -26.793
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: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -229.704108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.704108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.704108 (E_RNA)
where:
Base-Base interactions energy: -121.445
where: short stacking energy: -66.204
Base-Backbone interact. energy: -0.418
local terms energy: -107.840806
where:
bonds (distance) C4'-P energy: -32.466
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -25.419
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -10.459
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: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -155.262923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.262923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.262923 (E_RNA)
where:
Base-Base interactions energy: -61.537
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.986
local terms energy: -92.739430
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -32.103
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: 0.350
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: 396
Temperature: 0.900000
Total energy: -578.943567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.943567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.943567 (E_RNA)
where:
Base-Base interactions energy: -402.734
where: short stacking energy: -174.818
Base-Backbone interact. energy: -0.410
local terms energy: -175.799880
where:
bonds (distance) C4'-P energy: -34.017
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -38.002
flat angles P-C4'-P energy: -23.424
tors. eta vs tors. theta energy: -48.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -571.245709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.245709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.245709 (E_RNA)
where:
Base-Base interactions energy: -391.284
where: short stacking energy: -171.598
Base-Backbone interact. energy: -0.152
local terms energy: -179.809423
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -32.000
flat angles C4'-P-C4' energy: -36.504
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: -50.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -519.016350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.016350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.016350 (E_RNA)
where:
Base-Base interactions energy: -345.077
where: short stacking energy: -173.548
Base-Backbone interact. energy: -0.285
local terms energy: -173.654401
where:
bonds (distance) C4'-P energy: -35.739
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -35.837
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -50.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -512.010663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.010663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.010663 (E_RNA)
where:
Base-Base interactions energy: -344.882
where: short stacking energy: -159.343
Base-Backbone interact. energy: -0.547
local terms energy: -166.581492
where:
bonds (distance) C4'-P energy: -29.133
bonds (distance) P-C4' energy: -36.242
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -24.345
tors. eta vs tors. theta energy: -43.623
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: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -472.586586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.586586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.586586 (E_RNA)
where:
Base-Base interactions energy: -320.126
where: short stacking energy: -145.284
Base-Backbone interact. energy: -1.088
local terms energy: -151.372505
where:
bonds (distance) C4'-P energy: -30.860
bonds (distance) P-C4' energy: -32.188
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -38.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -433.491274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.491274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.491274 (E_RNA)
where:
Base-Base interactions energy: -299.764
where: short stacking energy: -144.259
Base-Backbone interact. energy: 1.322
local terms energy: -135.048763
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -27.325
tors. eta vs tors. theta energy: -31.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -401.810134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.810134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.810134 (E_RNA)
where:
Base-Base interactions energy: -265.727
where: short stacking energy: -136.162
Base-Backbone interact. energy: -0.614
local terms energy: -135.468603
where:
bonds (distance) C4'-P energy: -29.476
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -30.105
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -32.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -360.106729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.106729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.106729 (E_RNA)
where:
Base-Base interactions energy: -229.521
where: short stacking energy: -120.956
Base-Backbone interact. energy: -0.820
local terms energy: -129.765825
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -31.294
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -26.915
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: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -240.853237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.853237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.853237 (E_RNA)
where:
Base-Base interactions energy: -128.433
where: short stacking energy: -85.548
Base-Backbone interact. energy: -0.258
local terms energy: -112.162204
where:
bonds (distance) C4'-P energy: -30.446
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -31.636
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -149.747435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.747435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.747435 (E_RNA)
where:
Base-Base interactions energy: -58.725
where: short stacking energy: -58.725
Base-Backbone interact. energy: -0.356
local terms energy: -90.666753
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -583.323777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.323777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.323777 (E_RNA)
where:
Base-Base interactions energy: -407.461
where: short stacking energy: -180.682
Base-Backbone interact. energy: -0.158
local terms energy: -175.705327
where:
bonds (distance) C4'-P energy: -31.735
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -33.656
flat angles P-C4'-P energy: -29.200
tors. eta vs tors. theta energy: -51.285
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: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -578.371229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.371229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.371229 (E_RNA)
where:
Base-Base interactions energy: -405.785
where: short stacking energy: -180.803
Base-Backbone interact. energy: -0.681
local terms energy: -171.905442
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -33.975
flat angles C4'-P-C4' energy: -37.466
flat angles P-C4'-P energy: -23.099
tors. eta vs tors. theta energy: -46.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -527.636134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.636134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.636134 (E_RNA)
where:
Base-Base interactions energy: -357.931
where: short stacking energy: -148.531
Base-Backbone interact. energy: -0.301
local terms energy: -169.404196
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -34.573
flat angles P-C4'-P energy: -25.024
tors. eta vs tors. theta energy: -44.699
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: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -500.697786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.697786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.697786 (E_RNA)
where:
Base-Base interactions energy: -337.808
where: short stacking energy: -144.819
Base-Backbone interact. energy: -2.294
local terms energy: -160.595449
where:
bonds (distance) C4'-P energy: -32.167
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -36.237
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -44.830
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: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -506.698570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.698570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.698570 (E_RNA)
where:
Base-Base interactions energy: -341.127
where: short stacking energy: -155.664
Base-Backbone interact. energy: -0.814
local terms energy: -164.757163
where:
bonds (distance) C4'-P energy: -30.125
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -27.959
tors. eta vs tors. theta energy: -45.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -446.903276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.903276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.903276 (E_RNA)
where:
Base-Base interactions energy: -294.865
where: short stacking energy: -134.521
Base-Backbone interact. energy: -0.730
local terms energy: -151.308035
where:
bonds (distance) C4'-P energy: -28.415
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -40.125
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: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -376.950839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.950839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.950839 (E_RNA)
where:
Base-Base interactions energy: -256.391
where: short stacking energy: -127.363
Base-Backbone interact. energy: -1.371
local terms energy: -119.189160
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -21.903
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -397.772821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.772821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.772821 (E_RNA)
where:
Base-Base interactions energy: -263.047
where: short stacking energy: -131.849
Base-Backbone interact. energy: 0.304
local terms energy: -135.029623
where:
bonds (distance) C4'-P energy: -30.070
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -25.003
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -30.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -227.979545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.979545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.979545 (E_RNA)
where:
Base-Base interactions energy: -129.844
where: short stacking energy: -67.918
Base-Backbone interact. energy: -0.258
local terms energy: -97.877392
where:
bonds (distance) C4'-P energy: -25.196
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -10.510
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: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -154.545868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.545868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.545868 (E_RNA)
where:
Base-Base interactions energy: -58.148
where: short stacking energy: -57.936
Base-Backbone interact. energy: 0.168
local terms energy: -96.565954
where:
bonds (distance) C4'-P energy: -26.694
bonds (distance) P-C4' energy: -31.453
flat angles C4'-P-C4' energy: -27.112
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: 2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -595.575636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.575636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.575636 (E_RNA)
where:
Base-Base interactions energy: -416.352
where: short stacking energy: -186.652
Base-Backbone interact. energy: -1.041
local terms energy: -178.182391
where:
bonds (distance) C4'-P energy: -34.105
bonds (distance) P-C4' energy: -30.822
flat angles C4'-P-C4' energy: -36.859
flat angles P-C4'-P energy: -26.580
tors. eta vs tors. theta energy: -49.817
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: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -587.529640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.529640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.529640 (E_RNA)
where:
Base-Base interactions energy: -407.479
where: short stacking energy: -183.810
Base-Backbone interact. energy: -0.026
local terms energy: -180.024049
where:
bonds (distance) C4'-P energy: -34.284
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -51.774
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: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -536.879030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.879030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.879030 (E_RNA)
where:
Base-Base interactions energy: -355.242
where: short stacking energy: -172.278
Base-Backbone interact. energy: -0.706
local terms energy: -180.930103
where:
bonds (distance) C4'-P energy: -29.343
bonds (distance) P-C4' energy: -35.300
flat angles C4'-P-C4' energy: -38.537
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -51.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -482.038321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.038321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.038321 (E_RNA)
where:
Base-Base interactions energy: -320.144
where: short stacking energy: -149.783
Base-Backbone interact. energy: -1.000
local terms energy: -160.893469
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -29.186
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -45.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -504.903319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.903319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.903319 (E_RNA)
where:
Base-Base interactions energy: -343.359
where: short stacking energy: -158.336
Base-Backbone interact. energy: -3.435
local terms energy: -158.109838
where:
bonds (distance) C4'-P energy: -22.928
bonds (distance) P-C4' energy: -28.433
flat angles C4'-P-C4' energy: -34.522
flat angles P-C4'-P energy: -26.938
tors. eta vs tors. theta energy: -45.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -398.252971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.252971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.252971 (E_RNA)
where:
Base-Base interactions energy: -256.573
where: short stacking energy: -134.768
Base-Backbone interact. energy: 0.646
local terms energy: -142.326003
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -30.930
flat angles P-C4'-P energy: -23.076
tors. eta vs tors. theta energy: -35.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -345.025310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.025310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.025310 (E_RNA)
where:
Base-Base interactions energy: -230.718
where: short stacking energy: -103.471
Base-Backbone interact. energy: -0.516
local terms energy: -113.791320
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -32.234
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -386.125204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.125204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.125204 (E_RNA)
where:
Base-Base interactions energy: -254.694
where: short stacking energy: -125.069
Base-Backbone interact. energy: 0.362
local terms energy: -131.792860
where:
bonds (distance) C4'-P energy: -28.759
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: -30.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -263.325631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.325631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.325631 (E_RNA)
where:
Base-Base interactions energy: -151.688
where: short stacking energy: -80.411
Base-Backbone interact. energy: 2.208
local terms energy: -113.845488
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -28.920
flat angles C4'-P-C4' energy: -28.435
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -11.886
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: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -180.799282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.799282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.799282 (E_RNA)
where:
Base-Base interactions energy: -89.983
where: short stacking energy: -61.526
Base-Backbone interact. energy: 3.971
local terms energy: -94.786969
where:
bonds (distance) C4'-P energy: -30.356
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -23.793
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -5.115
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: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -600.173532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.173532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.173532 (E_RNA)
where:
Base-Base interactions energy: -415.826
where: short stacking energy: -188.257
Base-Backbone interact. energy: -0.528
local terms energy: -183.819034
where:
bonds (distance) C4'-P energy: -31.662
bonds (distance) P-C4' energy: -31.931
flat angles C4'-P-C4' energy: -38.601
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -53.177
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: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -582.039141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.039141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.039141 (E_RNA)
where:
Base-Base interactions energy: -404.836
where: short stacking energy: -182.216
Base-Backbone interact. energy: -0.331
local terms energy: -176.872528
where:
bonds (distance) C4'-P energy: -33.820
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -38.937
flat angles P-C4'-P energy: -24.314
tors. eta vs tors. theta energy: -53.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -534.929181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.929181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.929181 (E_RNA)
where:
Base-Base interactions energy: -357.520
where: short stacking energy: -181.694
Base-Backbone interact. energy: -0.243
local terms energy: -177.165558
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -32.694
flat angles C4'-P-C4' energy: -34.427
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -54.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -489.560735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.560735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.560735 (E_RNA)
where:
Base-Base interactions energy: -327.173
where: short stacking energy: -159.950
Base-Backbone interact. energy: -3.258
local terms energy: -159.129847
where:
bonds (distance) C4'-P energy: -34.548
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -37.187
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -44.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -484.673022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.673022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.673022 (E_RNA)
where:
Base-Base interactions energy: -331.673
where: short stacking energy: -144.426
Base-Backbone interact. energy: -1.312
local terms energy: -151.688604
where:
bonds (distance) C4'-P energy: -31.266
bonds (distance) P-C4' energy: -33.200
flat angles C4'-P-C4' energy: -27.093
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -40.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -425.677203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.677203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.677203 (E_RNA)
where:
Base-Base interactions energy: -270.708
where: short stacking energy: -130.654
Base-Backbone interact. energy: -1.525
local terms energy: -153.443976
where:
bonds (distance) C4'-P energy: -31.256
bonds (distance) P-C4' energy: -35.476
flat angles C4'-P-C4' energy: -30.169
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -36.120
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: 399
Temperature: 1.200000
Total energy: -363.901834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.901834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.901834 (E_RNA)
where:
Base-Base interactions energy: -227.506
where: short stacking energy: -112.229
Base-Backbone interact. energy: -0.664
local terms energy: -135.731965
where:
bonds (distance) C4'-P energy: -24.598
bonds (distance) P-C4' energy: -28.257
flat angles C4'-P-C4' energy: -32.745
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -23.631
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: 8, replica: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -353.816533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.816533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.816533 (E_RNA)
where:
Base-Base interactions energy: -225.359
where: short stacking energy: -107.749
Base-Backbone interact. energy: -0.162
local terms energy: -128.295505
where:
bonds (distance) C4'-P energy: -31.752
bonds (distance) P-C4' energy: -29.950
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -18.077
tors. eta vs tors. theta energy: -27.386
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: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -233.730019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.730019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.730019 (E_RNA)
where:
Base-Base interactions energy: -128.810
where: short stacking energy: -75.937
Base-Backbone interact. energy: 1.094
local terms energy: -106.014050
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -31.755
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -161.035834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.035834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.035834 (E_RNA)
where:
Base-Base interactions energy: -56.174
where: short stacking energy: -52.492
Base-Backbone interact. energy: -0.225
local terms energy: -104.637158
where:
bonds (distance) C4'-P energy: -29.669
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -582.758775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.758775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.758775 (E_RNA)
where:
Base-Base interactions energy: -397.384
where: short stacking energy: -181.630
Base-Backbone interact. energy: -0.491
local terms energy: -184.884030
where:
bonds (distance) C4'-P energy: -33.697
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -35.634
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -55.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -589.257373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.257373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.257373 (E_RNA)
where:
Base-Base interactions energy: -400.598
where: short stacking energy: -185.257
Base-Backbone interact. energy: -1.029
local terms energy: -187.630559
where:
bonds (distance) C4'-P energy: -34.358
bonds (distance) P-C4' energy: -36.044
flat angles C4'-P-C4' energy: -35.100
flat angles P-C4'-P energy: -27.003
tors. eta vs tors. theta energy: -55.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -516.287865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.287865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.287865 (E_RNA)
where:
Base-Base interactions energy: -353.604
where: short stacking energy: -160.496
Base-Backbone interact. energy: 1.838
local terms energy: -164.522474
where:
bonds (distance) C4'-P energy: -26.508
bonds (distance) P-C4' energy: -31.103
flat angles C4'-P-C4' energy: -32.921
flat angles P-C4'-P energy: -27.197
tors. eta vs tors. theta energy: -46.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -501.346042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.346042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.346042 (E_RNA)
where:
Base-Base interactions energy: -332.398
where: short stacking energy: -147.895
Base-Backbone interact. energy: -2.860
local terms energy: -166.088595
where:
bonds (distance) C4'-P energy: -27.053
bonds (distance) P-C4' energy: -31.834
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: -46.082
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: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -485.959501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.959501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.959501 (E_RNA)
where:
Base-Base interactions energy: -324.166
where: short stacking energy: -143.340
Base-Backbone interact. energy: -2.212
local terms energy: -159.581361
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -34.916
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: -39.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -407.772944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.772944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.772944 (E_RNA)
where:
Base-Base interactions energy: -262.457
where: short stacking energy: -123.610
Base-Backbone interact. energy: -0.130
local terms energy: -145.185713
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -34.163
flat angles C4'-P-C4' energy: -35.405
flat angles P-C4'-P energy: -25.881
tors. eta vs tors. theta energy: -27.092
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: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -350.936737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.936737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.936737 (E_RNA)
where:
Base-Base interactions energy: -239.616
where: short stacking energy: -131.671
Base-Backbone interact. energy: -1.003
local terms energy: -110.317547
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -36.014
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -23.356
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: 400
Temperature: 1.250000
Total energy: -363.693373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.693373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.693373 (E_RNA)
where:
Base-Base interactions energy: -227.179
where: short stacking energy: -119.887
Base-Backbone interact. energy: -0.304
local terms energy: -136.210705
where:
bonds (distance) C4'-P energy: -29.378
bonds (distance) P-C4' energy: -29.943
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -21.666
tors. eta vs tors. theta energy: -23.681
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: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -230.950700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.950700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.950700 (E_RNA)
where:
Base-Base interactions energy: -122.778
where: short stacking energy: -67.160
Base-Backbone interact. energy: 0.996
local terms energy: -109.168630
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -27.900
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -151.175143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.175143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.175143 (E_RNA)
where:
Base-Base interactions energy: -62.414
where: short stacking energy: -48.636
Base-Backbone interact. energy: -0.333
local terms energy: -88.428859
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -30.168
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -1.705
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: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -590.851454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.851454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.851454 (E_RNA)
where:
Base-Base interactions energy: -409.272
where: short stacking energy: -193.224
Base-Backbone interact. energy: -0.489
local terms energy: -181.090213
where:
bonds (distance) C4'-P energy: -33.824
bonds (distance) P-C4' energy: -34.471
flat angles C4'-P-C4' energy: -34.300
flat angles P-C4'-P energy: -25.024
tors. eta vs tors. theta energy: -53.472
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: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -589.860200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.860200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.860200 (E_RNA)
where:
Base-Base interactions energy: -412.289
where: short stacking energy: -188.071
Base-Backbone interact. energy: -1.198
local terms energy: -176.373875
where:
bonds (distance) C4'-P energy: -30.724
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -53.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -527.140779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.140779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.140779 (E_RNA)
where:
Base-Base interactions energy: -363.868
where: short stacking energy: -178.691
Base-Backbone interact. energy: -0.196
local terms energy: -163.076371
where:
bonds (distance) C4'-P energy: -32.300
bonds (distance) P-C4' energy: -30.076
flat angles C4'-P-C4' energy: -35.512
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -48.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -479.596088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.596088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.596088 (E_RNA)
where:
Base-Base interactions energy: -320.767
where: short stacking energy: -145.387
Base-Backbone interact. energy: -0.832
local terms energy: -157.996740
where:
bonds (distance) C4'-P energy: -30.418
bonds (distance) P-C4' energy: -27.830
flat angles C4'-P-C4' energy: -35.453
flat angles P-C4'-P energy: -25.067
tors. eta vs tors. theta energy: -39.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -485.013079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.013079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.013079 (E_RNA)
where:
Base-Base interactions energy: -325.923
where: short stacking energy: -147.973
Base-Backbone interact. energy: -1.051
local terms energy: -158.038938
where:
bonds (distance) C4'-P energy: -30.168
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -26.049
tors. eta vs tors. theta energy: -38.507
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: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -392.117266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.117266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.117266 (E_RNA)
where:
Base-Base interactions energy: -245.923
where: short stacking energy: -132.039
Base-Backbone interact. energy: -0.012
local terms energy: -146.183139
where:
bonds (distance) C4'-P energy: -26.124
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -35.602
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -35.500
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: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -436.286256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.286256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.286256 (E_RNA)
where:
Base-Base interactions energy: -295.400
where: short stacking energy: -161.120
Base-Backbone interact. energy: -0.387
local terms energy: -140.499058
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -29.592
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -41.045
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: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -325.538440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.538440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.538440 (E_RNA)
where:
Base-Base interactions energy: -205.772
where: short stacking energy: -93.881
Base-Backbone interact. energy: -0.474
local terms energy: -119.292944
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -33.765
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -273.187366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.187366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.187366 (E_RNA)
where:
Base-Base interactions energy: -169.980
where: short stacking energy: -96.399
Base-Backbone interact. energy: 2.890
local terms energy: -106.097251
where:
bonds (distance) C4'-P energy: -22.709
bonds (distance) P-C4' energy: -25.843
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -18.758
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: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -178.745001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.745001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.745001 (E_RNA)
where:
Base-Base interactions energy: -76.363
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.899
local terms energy: -101.482877
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -32.958
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -595.125832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.125832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.125832 (E_RNA)
where:
Base-Base interactions energy: -413.069
where: short stacking energy: -196.144
Base-Backbone interact. energy: -0.759
local terms energy: -181.297874
where:
bonds (distance) C4'-P energy: -29.384
bonds (distance) P-C4' energy: -33.328
flat angles C4'-P-C4' energy: -38.742
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: -56.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -594.997194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.997194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.997194 (E_RNA)
where:
Base-Base interactions energy: -410.114
where: short stacking energy: -187.138
Base-Backbone interact. energy: -0.875
local terms energy: -184.007628
where:
bonds (distance) C4'-P energy: -37.449
bonds (distance) P-C4' energy: -30.944
flat angles C4'-P-C4' energy: -36.605
flat angles P-C4'-P energy: -27.303
tors. eta vs tors. theta energy: -51.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -543.577633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.577633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.577633 (E_RNA)
where:
Base-Base interactions energy: -363.437
where: short stacking energy: -176.705
Base-Backbone interact. energy: -0.534
local terms energy: -179.606120
where:
bonds (distance) C4'-P energy: -38.203
bonds (distance) P-C4' energy: -30.999
flat angles C4'-P-C4' energy: -38.747
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -51.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -495.697889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.697889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.697889 (E_RNA)
where:
Base-Base interactions energy: -337.498
where: short stacking energy: -139.930
Base-Backbone interact. energy: 0.286
local terms energy: -158.485701
where:
bonds (distance) C4'-P energy: -23.457
bonds (distance) P-C4' energy: -33.064
flat angles C4'-P-C4' energy: -35.451
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -40.882
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: 402
Temperature: 1.100000
Total energy: -494.739769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.739769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.739769 (E_RNA)
where:
Base-Base interactions energy: -336.694
where: short stacking energy: -162.046
Base-Backbone interact. energy: -0.520
local terms energy: -157.525745
where:
bonds (distance) C4'-P energy: -29.035
bonds (distance) P-C4' energy: -26.180
flat angles C4'-P-C4' energy: -33.617
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -42.782
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: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -358.439336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.439336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.439336 (E_RNA)
where:
Base-Base interactions energy: -233.683
where: short stacking energy: -107.385
Base-Backbone interact. energy: 0.931
local terms energy: -125.686553
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -27.705
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -23.787
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: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -435.173450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.173450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.173450 (E_RNA)
where:
Base-Base interactions energy: -302.265
where: short stacking energy: -133.825
Base-Backbone interact. energy: -1.022
local terms energy: -131.886998
where:
bonds (distance) C4'-P energy: -29.302
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -36.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -325.015633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.015633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.015633 (E_RNA)
where:
Base-Base interactions energy: -200.879
where: short stacking energy: -105.975
Base-Backbone interact. energy: -0.421
local terms energy: -123.715699
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -29.262
flat angles C4'-P-C4' energy: -31.519
flat angles P-C4'-P energy: -16.490
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: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -245.340101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.340101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.340101 (E_RNA)
where:
Base-Base interactions energy: -130.202
where: short stacking energy: -66.536
Base-Backbone interact. energy: -0.642
local terms energy: -114.495930
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -30.069
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -15.981
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: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -157.980894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.980894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.980894 (E_RNA)
where:
Base-Base interactions energy: -75.228
where: short stacking energy: -59.248
Base-Backbone interact. energy: -0.742
local terms energy: -82.010597
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -25.812
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: 4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -593.835137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.835137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.835137 (E_RNA)
where:
Base-Base interactions energy: -416.132
where: short stacking energy: -194.428
Base-Backbone interact. energy: -0.331
local terms energy: -177.372131
where:
bonds (distance) C4'-P energy: -29.988
bonds (distance) P-C4' energy: -34.040
flat angles C4'-P-C4' energy: -35.726
flat angles P-C4'-P energy: -26.603
tors. eta vs tors. theta energy: -51.014
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: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -566.578101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.578101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.578101 (E_RNA)
where:
Base-Base interactions energy: -397.453
where: short stacking energy: -177.826
Base-Backbone interact. energy: -0.033
local terms energy: -169.092369
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -29.157
flat angles C4'-P-C4' energy: -36.500
flat angles P-C4'-P energy: -23.682
tors. eta vs tors. theta energy: -49.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -531.652619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.652619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.652619 (E_RNA)
where:
Base-Base interactions energy: -354.939
where: short stacking energy: -172.631
Base-Backbone interact. energy: -0.618
local terms energy: -176.095066
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -35.929
flat angles C4'-P-C4' energy: -35.412
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -49.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -507.049246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.049246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.049246 (E_RNA)
where:
Base-Base interactions energy: -343.213
where: short stacking energy: -147.514
Base-Backbone interact. energy: -0.890
local terms energy: -162.947067
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -33.948
flat angles C4'-P-C4' energy: -30.669
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: -42.888
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: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -493.423503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.423503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.423503 (E_RNA)
where:
Base-Base interactions energy: -344.319
where: short stacking energy: -154.457
Base-Backbone interact. energy: -0.360
local terms energy: -148.744552
where:
bonds (distance) C4'-P energy: -25.637
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -32.881
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -42.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -416.987146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.987146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.987146 (E_RNA)
where:
Base-Base interactions energy: -268.964
where: short stacking energy: -126.883
Base-Backbone interact. energy: -0.320
local terms energy: -147.703267
where:
bonds (distance) C4'-P energy: -30.035
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -21.307
tors. eta vs tors. theta energy: -40.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -347.253509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.253509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.253509 (E_RNA)
where:
Base-Base interactions energy: -223.639
where: short stacking energy: -96.466
Base-Backbone interact. energy: -0.574
local terms energy: -123.040192
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -27.243
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -22.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -363.700785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.700785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.700785 (E_RNA)
where:
Base-Base interactions energy: -230.539
where: short stacking energy: -127.418
Base-Backbone interact. energy: -0.720
local terms energy: -132.441755
where:
bonds (distance) C4'-P energy: -33.035
bonds (distance) P-C4' energy: -26.902
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -28.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -207.213969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.213969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.213969 (E_RNA)
where:
Base-Base interactions energy: -111.235
where: short stacking energy: -68.888
Base-Backbone interact. energy: 0.879
local terms energy: -96.858269
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -29.583
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -161.787198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.787198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.787198 (E_RNA)
where:
Base-Base interactions energy: -66.010
where: short stacking energy: -54.653
Base-Backbone interact. energy: -0.076
local terms energy: -95.700937
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -27.218
flat angles C4'-P-C4' energy: -27.191
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -4.905
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: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -583.730271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.730271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.730271 (E_RNA)
where:
Base-Base interactions energy: -410.901
where: short stacking energy: -183.525
Base-Backbone interact. energy: -1.494
local terms energy: -171.335458
where:
bonds (distance) C4'-P energy: -31.819
bonds (distance) P-C4' energy: -34.873
flat angles C4'-P-C4' energy: -32.305
flat angles P-C4'-P energy: -29.889
tors. eta vs tors. theta energy: -42.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -582.370525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.370525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.370525 (E_RNA)
where:
Base-Base interactions energy: -404.063
where: short stacking energy: -187.263
Base-Backbone interact. energy: -0.241
local terms energy: -178.066810
where:
bonds (distance) C4'-P energy: -29.267
bonds (distance) P-C4' energy: -30.396
flat angles C4'-P-C4' energy: -37.943
flat angles P-C4'-P energy: -30.171
tors. eta vs tors. theta energy: -50.290
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: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -522.139344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.139344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.139344 (E_RNA)
where:
Base-Base interactions energy: -351.344
where: short stacking energy: -168.352
Base-Backbone interact. energy: -0.289
local terms energy: -170.506887
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -29.194
flat angles C4'-P-C4' energy: -36.687
flat angles P-C4'-P energy: -26.875
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: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -503.349494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.349494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.349494 (E_RNA)
where:
Base-Base interactions energy: -345.823
where: short stacking energy: -149.654
Base-Backbone interact. energy: -1.514
local terms energy: -156.012896
where:
bonds (distance) C4'-P energy: -26.102
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -40.530
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -39.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -457.497943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.497943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.497943 (E_RNA)
where:
Base-Base interactions energy: -303.620
where: short stacking energy: -127.569
Base-Backbone interact. energy: -0.045
local terms energy: -153.833823
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -34.465
flat angles P-C4'-P energy: -23.761
tors. eta vs tors. theta energy: -37.255
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: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -449.247408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.247408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.247408 (E_RNA)
where:
Base-Base interactions energy: -308.972
where: short stacking energy: -138.066
Base-Backbone interact. energy: -1.310
local terms energy: -138.965447
where:
bonds (distance) C4'-P energy: -34.025
bonds (distance) P-C4' energy: -31.877
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -30.702
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: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -351.223677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.223677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.223677 (E_RNA)
where:
Base-Base interactions energy: -214.256
where: short stacking energy: -124.054
Base-Backbone interact. energy: -0.188
local terms energy: -136.779447
where:
bonds (distance) C4'-P energy: -25.332
bonds (distance) P-C4' energy: -30.199
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -33.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -339.884700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.884700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.884700 (E_RNA)
where:
Base-Base interactions energy: -207.883
where: short stacking energy: -99.704
Base-Backbone interact. energy: -1.680
local terms energy: -130.321757
where:
bonds (distance) C4'-P energy: -31.958
bonds (distance) P-C4' energy: -24.230
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -23.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -234.177977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.177977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.177977 (E_RNA)
where:
Base-Base interactions energy: -128.009
where: short stacking energy: -75.496
Base-Backbone interact. energy: 1.872
local terms energy: -108.041694
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -15.659
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: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -179.675957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.675957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.675957 (E_RNA)
where:
Base-Base interactions energy: -68.896
where: short stacking energy: -65.305
Base-Backbone interact. energy: -0.312
local terms energy: -110.467584
where:
bonds (distance) C4'-P energy: -27.031
bonds (distance) P-C4' energy: -31.944
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -6.137
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: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -585.446626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.446626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.446626 (E_RNA)
where:
Base-Base interactions energy: -408.936
where: short stacking energy: -181.448
Base-Backbone interact. energy: -0.111
local terms energy: -176.399109
where:
bonds (distance) C4'-P energy: -29.282
bonds (distance) P-C4' energy: -32.633
flat angles C4'-P-C4' energy: -34.329
flat angles P-C4'-P energy: -27.033
tors. eta vs tors. theta energy: -53.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -586.986457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.986457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.986457 (E_RNA)
where:
Base-Base interactions energy: -408.102
where: short stacking energy: -185.455
Base-Backbone interact. energy: -0.598
local terms energy: -178.286626
where:
bonds (distance) C4'-P energy: -27.184
bonds (distance) P-C4' energy: -35.203
flat angles C4'-P-C4' energy: -34.995
flat angles P-C4'-P energy: -28.819
tors. eta vs tors. theta energy: -52.085
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: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -527.211843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.211843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.211843 (E_RNA)
where:
Base-Base interactions energy: -361.010
where: short stacking energy: -171.636
Base-Backbone interact. energy: -0.174
local terms energy: -166.028312
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -33.735
flat angles C4'-P-C4' energy: -36.965
flat angles P-C4'-P energy: -18.577
tors. eta vs tors. theta energy: -47.344
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: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -505.235399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.235399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.235399 (E_RNA)
where:
Base-Base interactions energy: -350.079
where: short stacking energy: -160.143
Base-Backbone interact. energy: -0.828
local terms energy: -154.328122
where:
bonds (distance) C4'-P energy: -26.204
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -30.954
flat angles P-C4'-P energy: -27.904
tors. eta vs tors. theta energy: -43.818
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: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -491.913056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.913056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.913056 (E_RNA)
where:
Base-Base interactions energy: -326.070
where: short stacking energy: -148.958
Base-Backbone interact. energy: -0.587
local terms energy: -165.256327
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -32.168
flat angles C4'-P-C4' energy: -38.910
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -41.613
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: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -450.586844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.586844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.586844 (E_RNA)
where:
Base-Base interactions energy: -303.957
where: short stacking energy: -149.627
Base-Backbone interact. energy: -0.348
local terms energy: -146.282111
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -33.988
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -40.854
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: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -355.915643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.915643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.915643 (E_RNA)
where:
Base-Base interactions energy: -210.076
where: short stacking energy: -119.852
Base-Backbone interact. energy: -0.342
local terms energy: -145.497538
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -33.766
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -33.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -286.075947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.075947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.075947 (E_RNA)
where:
Base-Base interactions energy: -177.817
where: short stacking energy: -72.915
Base-Backbone interact. energy: -1.798
local terms energy: -106.460975
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -35.233
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -8.494
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: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -234.335193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.335193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.335193 (E_RNA)
where:
Base-Base interactions energy: -136.473
where: short stacking energy: -82.465
Base-Backbone interact. energy: -0.101
local terms energy: -97.761605
where:
bonds (distance) C4'-P energy: -22.062
bonds (distance) P-C4' energy: -24.554
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -23.868
tors. eta vs tors. theta energy: -9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -174.855222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.855222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.855222 (E_RNA)
where:
Base-Base interactions energy: -87.616
where: short stacking energy: -52.212
Base-Backbone interact. energy: -0.803
local terms energy: -86.436293
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -29.804
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: 0.276
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: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -586.688374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.688374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.688374 (E_RNA)
where:
Base-Base interactions energy: -403.935
where: short stacking energy: -191.285
Base-Backbone interact. energy: -1.293
local terms energy: -181.460384
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -36.979
flat angles P-C4'-P energy: -26.740
tors. eta vs tors. theta energy: -53.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -579.419543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.419543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.419543 (E_RNA)
where:
Base-Base interactions energy: -404.535
where: short stacking energy: -173.163
Base-Backbone interact. energy: -0.658
local terms energy: -174.225771
where:
bonds (distance) C4'-P energy: -33.286
bonds (distance) P-C4' energy: -28.965
flat angles C4'-P-C4' energy: -33.908
flat angles P-C4'-P energy: -29.289
tors. eta vs tors. theta energy: -48.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -523.804619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.804619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.804619 (E_RNA)
where:
Base-Base interactions energy: -362.082
where: short stacking energy: -169.804
Base-Backbone interact. energy: -0.768
local terms energy: -160.955006
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -33.765
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -45.033
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: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -544.058011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.058011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.058011 (E_RNA)
where:
Base-Base interactions energy: -366.456
where: short stacking energy: -180.875
Base-Backbone interact. energy: -0.944
local terms energy: -176.658545
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -35.164
flat angles C4'-P-C4' energy: -37.678
flat angles P-C4'-P energy: -24.923
tors. eta vs tors. theta energy: -51.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -458.157998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.157998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.157998 (E_RNA)
where:
Base-Base interactions energy: -314.803
where: short stacking energy: -153.663
Base-Backbone interact. energy: -0.095
local terms energy: -143.259852
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -26.023
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -28.931
tors. eta vs tors. theta energy: -42.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -471.663325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.663325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.663325 (E_RNA)
where:
Base-Base interactions energy: -321.370
where: short stacking energy: -148.364
Base-Backbone interact. energy: -1.590
local terms energy: -148.703062
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -45.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -311.832292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.832292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.832292 (E_RNA)
where:
Base-Base interactions energy: -191.201
where: short stacking energy: -112.870
Base-Backbone interact. energy: -0.901
local terms energy: -119.730126
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -239.259264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.259264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.259264 (E_RNA)
where:
Base-Base interactions energy: -123.059
where: short stacking energy: -87.085
Base-Backbone interact. energy: -0.560
local terms energy: -115.640537
where:
bonds (distance) C4'-P energy: -26.410
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -15.929
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: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -246.584035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.584035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.584035 (E_RNA)
where:
Base-Base interactions energy: -125.446
where: short stacking energy: -78.741
Base-Backbone interact. energy: -0.550
local terms energy: -120.588739
where:
bonds (distance) C4'-P energy: -35.314
bonds (distance) P-C4' energy: -31.255
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -162.769430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.769430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.769430 (E_RNA)
where:
Base-Base interactions energy: -63.490
where: short stacking energy: -61.468
Base-Backbone interact. energy: -0.306
local terms energy: -98.973799
where:
bonds (distance) C4'-P energy: -29.605
bonds (distance) P-C4' energy: -27.521
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -7.662
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: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -591.757171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.757171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.757171 (E_RNA)
where:
Base-Base interactions energy: -410.031
where: short stacking energy: -184.176
Base-Backbone interact. energy: -0.329
local terms energy: -181.396785
where:
bonds (distance) C4'-P energy: -34.667
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -37.463
flat angles P-C4'-P energy: -26.371
tors. eta vs tors. theta energy: -50.745
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: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -576.846816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.846816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.846816 (E_RNA)
where:
Base-Base interactions energy: -397.395
where: short stacking energy: -182.880
Base-Backbone interact. energy: 0.207
local terms energy: -179.658358
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -34.848
flat angles C4'-P-C4' energy: -34.753
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -52.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -513.484622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.484622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.484622 (E_RNA)
where:
Base-Base interactions energy: -340.423
where: short stacking energy: -159.483
Base-Backbone interact. energy: -1.372
local terms energy: -171.689350
where:
bonds (distance) C4'-P energy: -32.174
bonds (distance) P-C4' energy: -33.207
flat angles C4'-P-C4' energy: -34.899
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -43.138
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: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -522.943580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.943580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.943580 (E_RNA)
where:
Base-Base interactions energy: -354.806
where: short stacking energy: -164.158
Base-Backbone interact. energy: -0.174
local terms energy: -167.963514
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -35.645
flat angles C4'-P-C4' energy: -38.251
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: -49.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -440.798188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.798188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.798188 (E_RNA)
where:
Base-Base interactions energy: -290.965
where: short stacking energy: -138.683
Base-Backbone interact. energy: -1.674
local terms energy: -148.158578
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -28.242
flat angles C4'-P-C4' energy: -31.673
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -39.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -433.837614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.837614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.837614 (E_RNA)
where:
Base-Base interactions energy: -277.573
where: short stacking energy: -127.577
Base-Backbone interact. energy: -0.518
local terms energy: -155.746546
where:
bonds (distance) C4'-P energy: -36.564
bonds (distance) P-C4' energy: -32.865
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -25.334
tors. eta vs tors. theta energy: -31.761
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: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -340.271489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.271489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.271489 (E_RNA)
where:
Base-Base interactions energy: -209.930
where: short stacking energy: -123.952
Base-Backbone interact. energy: -0.616
local terms energy: -129.725182
where:
bonds (distance) C4'-P energy: -30.156
bonds (distance) P-C4' energy: -33.422
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -26.868
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: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -234.461192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.461192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.461192 (E_RNA)
where:
Base-Base interactions energy: -131.884
where: short stacking energy: -74.927
Base-Backbone interact. energy: -0.290
local terms energy: -102.286498
where:
bonds (distance) C4'-P energy: -31.168
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -247.909034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.909034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.909034 (E_RNA)
where:
Base-Base interactions energy: -153.121
where: short stacking energy: -81.729
Base-Backbone interact. energy: 0.299
local terms energy: -95.086421
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -155.565610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.565610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.565610 (E_RNA)
where:
Base-Base interactions energy: -55.473
where: short stacking energy: -52.180
Base-Backbone interact. energy: 1.925
local terms energy: -102.017057
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -586.221733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.221733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.221733 (E_RNA)
where:
Base-Base interactions energy: -404.863
where: short stacking energy: -182.332
Base-Backbone interact. energy: -0.337
local terms energy: -181.022334
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -31.855
flat angles C4'-P-C4' energy: -35.769
flat angles P-C4'-P energy: -30.051
tors. eta vs tors. theta energy: -51.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -577.974107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.974107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.974107 (E_RNA)
where:
Base-Base interactions energy: -402.350
where: short stacking energy: -181.284
Base-Backbone interact. energy: -1.130
local terms energy: -174.494678
where:
bonds (distance) C4'-P energy: -28.612
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -35.181
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: -50.841
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: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -538.767416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.767416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.767416 (E_RNA)
where:
Base-Base interactions energy: -360.621
where: short stacking energy: -178.059
Base-Backbone interact. energy: -2.206
local terms energy: -175.940622
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -35.708
flat angles P-C4'-P energy: -30.117
tors. eta vs tors. theta energy: -50.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -512.783490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.783490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.783490 (E_RNA)
where:
Base-Base interactions energy: -350.257
where: short stacking energy: -167.119
Base-Backbone interact. energy: 0.111
local terms energy: -162.638097
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -30.260
flat angles C4'-P-C4' energy: -33.088
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -46.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -458.708591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.708591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.708591 (E_RNA)
where:
Base-Base interactions energy: -299.503
where: short stacking energy: -155.086
Base-Backbone interact. energy: -0.327
local terms energy: -158.878801
where:
bonds (distance) C4'-P energy: -26.525
bonds (distance) P-C4' energy: -35.331
flat angles C4'-P-C4' energy: -36.912
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -40.604
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: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -439.372220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.372220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.372220 (E_RNA)
where:
Base-Base interactions energy: -292.158
where: short stacking energy: -149.597
Base-Backbone interact. energy: -1.499
local terms energy: -145.715258
where:
bonds (distance) C4'-P energy: -26.344
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -29.042
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -37.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -342.660446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.660446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.660446 (E_RNA)
where:
Base-Base interactions energy: -209.785
where: short stacking energy: -114.129
Base-Backbone interact. energy: -0.691
local terms energy: -132.184866
where:
bonds (distance) C4'-P energy: -26.887
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -26.722
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -31.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -258.097290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.097290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.097290 (E_RNA)
where:
Base-Base interactions energy: -155.791
where: short stacking energy: -87.828
Base-Backbone interact. energy: -0.816
local terms energy: -101.489891
where:
bonds (distance) C4'-P energy: -25.966
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -244.659043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.659043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.659043 (E_RNA)
where:
Base-Base interactions energy: -139.678
where: short stacking energy: -85.823
Base-Backbone interact. energy: -0.330
local terms energy: -104.650953
where:
bonds (distance) C4'-P energy: -24.874
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -11.291
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: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -176.411081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.411081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.411081 (E_RNA)
where:
Base-Base interactions energy: -72.268
where: short stacking energy: -62.926
Base-Backbone interact. energy: -1.333
local terms energy: -102.810041
where:
bonds (distance) C4'-P energy: -31.883
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -1.315
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: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -585.629543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.629543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.629543 (E_RNA)
where:
Base-Base interactions energy: -416.259
where: short stacking energy: -180.804
Base-Backbone interact. energy: -0.741
local terms energy: -168.629318
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -35.075
flat angles C4'-P-C4' energy: -36.102
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -47.704
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: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -578.238400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.238400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.238400 (E_RNA)
where:
Base-Base interactions energy: -406.276
where: short stacking energy: -185.685
Base-Backbone interact. energy: -0.471
local terms energy: -171.491780
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -31.358
flat angles C4'-P-C4' energy: -35.676
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -52.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -531.969919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.969919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.969919 (E_RNA)
where:
Base-Base interactions energy: -358.987
where: short stacking energy: -175.642
Base-Backbone interact. energy: -0.056
local terms energy: -172.926736
where:
bonds (distance) C4'-P energy: -31.434
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -36.882
flat angles P-C4'-P energy: -25.847
tors. eta vs tors. theta energy: -51.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -485.580780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.580780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.580780 (E_RNA)
where:
Base-Base interactions energy: -324.031
where: short stacking energy: -153.023
Base-Backbone interact. energy: -1.065
local terms energy: -160.485183
where:
bonds (distance) C4'-P energy: -29.726
bonds (distance) P-C4' energy: -29.081
flat angles C4'-P-C4' energy: -35.837
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -43.025
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: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -458.746233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.746233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.746233 (E_RNA)
where:
Base-Base interactions energy: -321.459
where: short stacking energy: -147.713
Base-Backbone interact. energy: -0.432
local terms energy: -136.855488
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -32.579
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -41.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -441.394677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.394677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.394677 (E_RNA)
where:
Base-Base interactions energy: -300.511
where: short stacking energy: -138.419
Base-Backbone interact. energy: -1.412
local terms energy: -139.471187
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -41.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -337.827325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.827325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.827325 (E_RNA)
where:
Base-Base interactions energy: -200.808
where: short stacking energy: -117.019
Base-Backbone interact. energy: -1.564
local terms energy: -135.455758
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -30.300
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -35.009
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: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -297.166669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.166669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.166669 (E_RNA)
where:
Base-Base interactions energy: -171.534
where: short stacking energy: -103.018
Base-Backbone interact. energy: 0.226
local terms energy: -125.858530
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -25.775
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -253.424201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.424201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.424201 (E_RNA)
where:
Base-Base interactions energy: -132.991
where: short stacking energy: -74.519
Base-Backbone interact. energy: -2.251
local terms energy: -118.182266
where:
bonds (distance) C4'-P energy: -29.993
bonds (distance) P-C4' energy: -32.922
flat angles C4'-P-C4' energy: -26.848
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -11.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -155.192318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.192318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.192318 (E_RNA)
where:
Base-Base interactions energy: -71.128
where: short stacking energy: -46.054
Base-Backbone interact. energy: -0.781
local terms energy: -83.283495
where:
bonds (distance) C4'-P energy: -23.727
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: 4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -591.991099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.991099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.991099 (E_RNA)
where:
Base-Base interactions energy: -411.445
where: short stacking energy: -183.334
Base-Backbone interact. energy: -0.011
local terms energy: -180.534763
where:
bonds (distance) C4'-P energy: -32.662
bonds (distance) P-C4' energy: -30.494
flat angles C4'-P-C4' energy: -37.264
flat angles P-C4'-P energy: -25.443
tors. eta vs tors. theta energy: -54.671
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: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -583.242036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.242036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.242036 (E_RNA)
where:
Base-Base interactions energy: -414.534
where: short stacking energy: -187.969
Base-Backbone interact. energy: -0.639
local terms energy: -168.069625
where:
bonds (distance) C4'-P energy: -35.173
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -34.022
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -49.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -527.441222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.441222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.441222 (E_RNA)
where:
Base-Base interactions energy: -365.636
where: short stacking energy: -177.920
Base-Backbone interact. energy: -1.572
local terms energy: -160.233925
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -28.921
flat angles C4'-P-C4' energy: -35.013
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: -48.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -473.629197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.629197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.629197 (E_RNA)
where:
Base-Base interactions energy: -318.951
where: short stacking energy: -152.236
Base-Backbone interact. energy: -1.300
local terms energy: -153.378759
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -24.195
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -25.165
tors. eta vs tors. theta energy: -40.945
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: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -486.296630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.296630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.296630 (E_RNA)
where:
Base-Base interactions energy: -331.259
where: short stacking energy: -151.256
Base-Backbone interact. energy: -1.198
local terms energy: -153.839670
where:
bonds (distance) C4'-P energy: -24.894
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -35.047
flat angles P-C4'-P energy: -27.833
tors. eta vs tors. theta energy: -43.255
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: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -452.069401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.069401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.069401 (E_RNA)
where:
Base-Base interactions energy: -297.749
where: short stacking energy: -148.024
Base-Backbone interact. energy: -1.170
local terms energy: -153.150114
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -31.309
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -39.743
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: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -334.843742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.843742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.843742 (E_RNA)
where:
Base-Base interactions energy: -217.354
where: short stacking energy: -111.554
Base-Backbone interact. energy: -0.825
local terms energy: -116.664901
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -33.208
flat angles C4'-P-C4' energy: -28.479
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -279.126595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.126595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.126595 (E_RNA)
where:
Base-Base interactions energy: -160.196
where: short stacking energy: -97.060
Base-Backbone interact. energy: -0.184
local terms energy: -118.747509
where:
bonds (distance) C4'-P energy: -32.330
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: -15.196
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: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -259.878751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.878751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.878751 (E_RNA)
where:
Base-Base interactions energy: -134.846
where: short stacking energy: -90.571
Base-Backbone interact. energy: -0.490
local terms energy: -124.542635
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: -12.780
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: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -159.505199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.505199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.505199 (E_RNA)
where:
Base-Base interactions energy: -68.944
where: short stacking energy: -52.053
Base-Backbone interact. energy: -0.530
local terms energy: -90.031055
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -27.455
flat angles C4'-P-C4' energy: -31.846
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: 5.836
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: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -589.298460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.298460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.298460 (E_RNA)
where:
Base-Base interactions energy: -413.556
where: short stacking energy: -180.825
Base-Backbone interact. energy: -0.176
local terms energy: -175.567364
where:
bonds (distance) C4'-P energy: -29.688
bonds (distance) P-C4' energy: -33.525
flat angles C4'-P-C4' energy: -36.978
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -50.611
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: 411
Temperature: 0.950000
Total energy: -586.255788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.255788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.255788 (E_RNA)
where:
Base-Base interactions energy: -404.722
where: short stacking energy: -183.383
Base-Backbone interact. energy: -0.180
local terms energy: -181.353701
where:
bonds (distance) C4'-P energy: -35.045
bonds (distance) P-C4' energy: -31.347
flat angles C4'-P-C4' energy: -38.190
flat angles P-C4'-P energy: -25.389
tors. eta vs tors. theta energy: -51.383
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: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -538.488359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.488359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.488359 (E_RNA)
where:
Base-Base interactions energy: -362.393
where: short stacking energy: -159.593
Base-Backbone interact. energy: -0.629
local terms energy: -175.466219
where:
bonds (distance) C4'-P energy: -33.385
bonds (distance) P-C4' energy: -33.622
flat angles C4'-P-C4' energy: -39.592
flat angles P-C4'-P energy: -25.230
tors. eta vs tors. theta energy: -43.638
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: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -475.682878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.682878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.682878 (E_RNA)
where:
Base-Base interactions energy: -312.378
where: short stacking energy: -150.844
Base-Backbone interact. energy: -0.667
local terms energy: -162.637250
where:
bonds (distance) C4'-P energy: -32.355
bonds (distance) P-C4' energy: -27.510
flat angles C4'-P-C4' energy: -33.442
flat angles P-C4'-P energy: -24.723
tors. eta vs tors. theta energy: -44.606
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: 411
Temperature: 1.100000
Total energy: -490.124229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.124229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.124229 (E_RNA)
where:
Base-Base interactions energy: -339.458
where: short stacking energy: -151.029
Base-Backbone interact. energy: -2.271
local terms energy: -148.395249
where:
bonds (distance) C4'-P energy: -25.986
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -31.977
flat angles P-C4'-P energy: -25.645
tors. eta vs tors. theta energy: -41.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -434.751021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.751021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.751021 (E_RNA)
where:
Base-Base interactions energy: -299.858
where: short stacking energy: -138.396
Base-Backbone interact. energy: -0.324
local terms energy: -134.569276
where:
bonds (distance) C4'-P energy: -28.846
bonds (distance) P-C4' energy: -27.834
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -31.826
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: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -355.404822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.404822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.404822 (E_RNA)
where:
Base-Base interactions energy: -223.418
where: short stacking energy: -124.783
Base-Backbone interact. energy: -0.258
local terms energy: -131.728632
where:
bonds (distance) C4'-P energy: -31.958
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -23.843
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -30.361
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: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -292.969706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.969706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.969706 (E_RNA)
where:
Base-Base interactions energy: -175.764
where: short stacking energy: -91.069
Base-Backbone interact. energy: -0.158
local terms energy: -117.047109
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -24.862
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: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -267.693736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.693736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.693736 (E_RNA)
where:
Base-Base interactions energy: -154.653
where: short stacking energy: -88.697
Base-Backbone interact. energy: 2.606
local terms energy: -115.646866
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -26.466
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -26.188
tors. eta vs tors. theta energy: -18.240
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: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -154.412205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.412205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.412205 (E_RNA)
where:
Base-Base interactions energy: -76.568
where: short stacking energy: -52.722
Base-Backbone interact. energy: 0.108
local terms energy: -77.951933
where:
bonds (distance) C4'-P energy: -28.720
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: 2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -585.389401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.389401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.389401 (E_RNA)
where:
Base-Base interactions energy: -413.170
where: short stacking energy: -182.455
Base-Backbone interact. energy: -0.376
local terms energy: -171.843121
where:
bonds (distance) C4'-P energy: -34.377
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -39.567
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -49.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -574.517635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.517635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.517635 (E_RNA)
where:
Base-Base interactions energy: -401.582
where: short stacking energy: -178.417
Base-Backbone interact. energy: -0.973
local terms energy: -171.962411
where:
bonds (distance) C4'-P energy: -31.704
bonds (distance) P-C4' energy: -28.595
flat angles C4'-P-C4' energy: -39.048
flat angles P-C4'-P energy: -23.392
tors. eta vs tors. theta energy: -49.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -535.015140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.015140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.015140 (E_RNA)
where:
Base-Base interactions energy: -356.362
where: short stacking energy: -177.748
Base-Backbone interact. energy: -0.013
local terms energy: -178.640133
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -31.295
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -26.413
tors. eta vs tors. theta energy: -52.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -458.522350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.522350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.522350 (E_RNA)
where:
Base-Base interactions energy: -300.584
where: short stacking energy: -128.222
Base-Backbone interact. energy: -1.212
local terms energy: -156.726168
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -28.738
tors. eta vs tors. theta energy: -29.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -474.721618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.721618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.721618 (E_RNA)
where:
Base-Base interactions energy: -321.387
where: short stacking energy: -156.571
Base-Backbone interact. energy: -0.047
local terms energy: -153.287503
where:
bonds (distance) C4'-P energy: -28.245
bonds (distance) P-C4' energy: -24.805
flat angles C4'-P-C4' energy: -36.840
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -41.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -444.117826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.117826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.117826 (E_RNA)
where:
Base-Base interactions energy: -294.213
where: short stacking energy: -151.018
Base-Backbone interact. energy: -1.977
local terms energy: -147.927976
where:
bonds (distance) C4'-P energy: -28.296
bonds (distance) P-C4' energy: -32.113
flat angles C4'-P-C4' energy: -26.848
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -38.543
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: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -336.076268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.076268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.076268 (E_RNA)
where:
Base-Base interactions energy: -207.323
where: short stacking energy: -116.098
Base-Backbone interact. energy: -0.445
local terms energy: -128.308144
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -28.894
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -24.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -250.839742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.839742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.839742 (E_RNA)
where:
Base-Base interactions energy: -151.373
where: short stacking energy: -84.241
Base-Backbone interact. energy: -0.393
local terms energy: -99.073391
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -13.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -165.837567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.837567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.837567 (E_RNA)
where:
Base-Base interactions energy: -59.946
where: short stacking energy: -55.443
Base-Backbone interact. energy: 1.074
local terms energy: -106.965860
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -30.629
flat angles C4'-P-C4' energy: -26.629
flat angles P-C4'-P energy: -19.239
tors. eta vs tors. theta energy: -6.860
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: 412
Temperature: 1.350000
Total energy: -228.957578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.957578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.957578 (E_RNA)
where:
Base-Base interactions energy: -136.179
where: short stacking energy: -71.412
Base-Backbone interact. energy: -1.168
local terms energy: -91.610426
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -27.876
flat angles C4'-P-C4' energy: -28.363
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -588.120001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.120001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.120001 (E_RNA)
where:
Base-Base interactions energy: -404.889
where: short stacking energy: -188.178
Base-Backbone interact. energy: -0.404
local terms energy: -182.826848
where:
bonds (distance) C4'-P energy: -35.083
bonds (distance) P-C4' energy: -29.882
flat angles C4'-P-C4' energy: -36.740
flat angles P-C4'-P energy: -28.686
tors. eta vs tors. theta energy: -52.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -546.875112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.875112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.875112 (E_RNA)
where:
Base-Base interactions energy: -368.093
where: short stacking energy: -181.528
Base-Backbone interact. energy: -0.177
local terms energy: -178.605206
where:
bonds (distance) C4'-P energy: -37.070
bonds (distance) P-C4' energy: -28.911
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -26.412
tors. eta vs tors. theta energy: -54.233
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: 3, replica: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -564.959758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.959758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.959758 (E_RNA)
where:
Base-Base interactions energy: -388.896
where: short stacking energy: -170.731
Base-Backbone interact. energy: 0.896
local terms energy: -176.959429
where:
bonds (distance) C4'-P energy: -31.483
bonds (distance) P-C4' energy: -34.288
flat angles C4'-P-C4' energy: -36.736
flat angles P-C4'-P energy: -25.068
tors. eta vs tors. theta energy: -49.385
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: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -499.996431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.996431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.996431 (E_RNA)
where:
Base-Base interactions energy: -342.584
where: short stacking energy: -158.270
Base-Backbone interact. energy: -1.298
local terms energy: -156.115358
where:
bonds (distance) C4'-P energy: -33.313
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -34.856
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -40.798
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: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -451.330723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.330723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.330723 (E_RNA)
where:
Base-Base interactions energy: -303.764
where: short stacking energy: -137.879
Base-Backbone interact. energy: 0.127
local terms energy: -147.693779
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -35.760
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -37.556
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: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -461.128522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.128522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.128522 (E_RNA)
where:
Base-Base interactions energy: -306.305
where: short stacking energy: -147.083
Base-Backbone interact. energy: 0.361
local terms energy: -155.184586
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -20.480
tors. eta vs tors. theta energy: -39.549
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: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -346.576334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.576334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.576334 (E_RNA)
where:
Base-Base interactions energy: -208.841
where: short stacking energy: -116.330
Base-Backbone interact. energy: -0.086
local terms energy: -137.648867
where:
bonds (distance) C4'-P energy: -32.957
bonds (distance) P-C4' energy: -29.223
flat angles C4'-P-C4' energy: -34.931
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -21.217
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: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -285.895268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.895268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.895268 (E_RNA)
where:
Base-Base interactions energy: -168.658
where: short stacking energy: -94.577
Base-Backbone interact. energy: 1.072
local terms energy: -118.309851
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -31.874
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -158.847434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.847434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.847434 (E_RNA)
where:
Base-Base interactions energy: -55.046
where: short stacking energy: -52.300
Base-Backbone interact. energy: -0.599
local terms energy: -103.202881
where:
bonds (distance) C4'-P energy: -31.270
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -263.385646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.385646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.385646 (E_RNA)
where:
Base-Base interactions energy: -146.144
where: short stacking energy: -105.341
Base-Backbone interact. energy: 2.016
local terms energy: -119.257666
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -31.296
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -21.093
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: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -587.626551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.626551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.626551 (E_RNA)
where:
Base-Base interactions energy: -418.270
where: short stacking energy: -189.498
Base-Backbone interact. energy: -1.065
local terms energy: -168.291509
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -54.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -533.386918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.386918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.386918 (E_RNA)
where:
Base-Base interactions energy: -368.352
where: short stacking energy: -175.292
Base-Backbone interact. energy: -0.204
local terms energy: -164.830701
where:
bonds (distance) C4'-P energy: -29.179
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -32.603
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -50.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -574.719549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.719549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.719549 (E_RNA)
where:
Base-Base interactions energy: -400.310
where: short stacking energy: -184.941
Base-Backbone interact. energy: -1.182
local terms energy: -173.226972
where:
bonds (distance) C4'-P energy: -36.618
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -35.893
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -55.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -501.761812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.761812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.761812 (E_RNA)
where:
Base-Base interactions energy: -341.389
where: short stacking energy: -159.644
Base-Backbone interact. energy: -1.434
local terms energy: -158.938482
where:
bonds (distance) C4'-P energy: -27.042
bonds (distance) P-C4' energy: -29.162
flat angles C4'-P-C4' energy: -29.113
flat angles P-C4'-P energy: -27.949
tors. eta vs tors. theta energy: -45.672
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: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -501.198424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.198424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.198424 (E_RNA)
where:
Base-Base interactions energy: -339.287
where: short stacking energy: -155.074
Base-Backbone interact. energy: 0.108
local terms energy: -162.019168
where:
bonds (distance) C4'-P energy: -29.143
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -34.681
flat angles P-C4'-P energy: -20.796
tors. eta vs tors. theta energy: -44.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -440.558116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.558116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.558116 (E_RNA)
where:
Base-Base interactions energy: -287.984
where: short stacking energy: -147.475
Base-Backbone interact. energy: -0.837
local terms energy: -151.737660
where:
bonds (distance) C4'-P energy: -25.399
bonds (distance) P-C4' energy: -36.223
flat angles C4'-P-C4' energy: -26.049
flat angles P-C4'-P energy: -24.116
tors. eta vs tors. theta energy: -39.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -327.670786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.670786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.670786 (E_RNA)
where:
Base-Base interactions energy: -213.651
where: short stacking energy: -100.115
Base-Backbone interact. energy: -0.615
local terms energy: -113.405236
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -31.143
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -15.021
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: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -246.511777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.511777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.511777 (E_RNA)
where:
Base-Base interactions energy: -126.866
where: short stacking energy: -71.372
Base-Backbone interact. energy: -0.020
local terms energy: -119.625929
where:
bonds (distance) C4'-P energy: -26.580
bonds (distance) P-C4' energy: -34.333
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -11.145
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: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -163.755458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.755458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.755458 (E_RNA)
where:
Base-Base interactions energy: -64.841
where: short stacking energy: -62.109
Base-Backbone interact. energy: 1.012
local terms energy: -99.926553
where:
bonds (distance) C4'-P energy: -24.395
bonds (distance) P-C4' energy: -36.997
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -6.124
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: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -148.437042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.437042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.437042 (E_RNA)
where:
Base-Base interactions energy: -46.626
where: short stacking energy: -38.054
Base-Backbone interact. energy: -0.599
local terms energy: -101.212136
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -25.226
flat angles C4'-P-C4' energy: -25.716
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -593.571920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.571920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.571920 (E_RNA)
where:
Base-Base interactions energy: -413.746
where: short stacking energy: -188.301
Base-Backbone interact. energy: -0.952
local terms energy: -178.874720
where:
bonds (distance) C4'-P energy: -29.477
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -35.702
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -51.002
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: 415
Temperature: 0.950000
Total energy: -580.016211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.016211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.016211 (E_RNA)
where:
Base-Base interactions energy: -395.851
where: short stacking energy: -175.311
Base-Backbone interact. energy: 0.181
local terms energy: -184.346160
where:
bonds (distance) C4'-P energy: -36.449
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -38.949
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -51.550
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: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -531.204143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.204143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.204143 (E_RNA)
where:
Base-Base interactions energy: -356.827
where: short stacking energy: -174.223
Base-Backbone interact. energy: -0.114
local terms energy: -174.263699
where:
bonds (distance) C4'-P energy: -28.833
bonds (distance) P-C4' energy: -29.797
flat angles C4'-P-C4' energy: -37.693
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -53.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -517.584734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.584734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.584734 (E_RNA)
where:
Base-Base interactions energy: -345.803
where: short stacking energy: -174.751
Base-Backbone interact. energy: -1.178
local terms energy: -170.604032
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -37.048
flat angles C4'-P-C4' energy: -38.517
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: -46.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -471.171222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.171222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.171222 (E_RNA)
where:
Base-Base interactions energy: -323.575
where: short stacking energy: -145.431
Base-Backbone interact. energy: -0.222
local terms energy: -147.373958
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -27.945
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -21.667
tors. eta vs tors. theta energy: -46.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -450.611855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.611855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.611855 (E_RNA)
where:
Base-Base interactions energy: -294.252
where: short stacking energy: -135.765
Base-Backbone interact. energy: -1.113
local terms energy: -155.246433
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -35.311
flat angles C4'-P-C4' energy: -34.469
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -42.414
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: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -372.403109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.403109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.403109 (E_RNA)
where:
Base-Base interactions energy: -251.402
where: short stacking energy: -112.405
Base-Backbone interact. energy: -2.238
local terms energy: -118.763035
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -259.848666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.848666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.848666 (E_RNA)
where:
Base-Base interactions energy: -140.322
where: short stacking energy: -86.096
Base-Backbone interact. energy: -0.492
local terms energy: -119.033972
where:
bonds (distance) C4'-P energy: -27.642
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -31.275
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -16.817
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: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -182.643561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.643561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.643561 (E_RNA)
where:
Base-Base interactions energy: -72.812
where: short stacking energy: -65.961
Base-Backbone interact. energy: -0.857
local terms energy: -108.974619
where:
bonds (distance) C4'-P energy: -29.479
bonds (distance) P-C4' energy: -33.321
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -12.031
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: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -150.369356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.369356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.369356 (E_RNA)
where:
Base-Base interactions energy: -58.026
where: short stacking energy: -53.022
Base-Backbone interact. energy: -0.365
local terms energy: -91.978161
where:
bonds (distance) C4'-P energy: -26.572
bonds (distance) P-C4' energy: -30.789
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: 0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -595.210312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.210312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.210312 (E_RNA)
where:
Base-Base interactions energy: -413.239
where: short stacking energy: -180.334
Base-Backbone interact. energy: -0.201
local terms energy: -181.769973
where:
bonds (distance) C4'-P energy: -33.119
bonds (distance) P-C4' energy: -28.147
flat angles C4'-P-C4' energy: -38.821
flat angles P-C4'-P energy: -28.418
tors. eta vs tors. theta energy: -53.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -574.791675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.791675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.791675 (E_RNA)
where:
Base-Base interactions energy: -405.729
where: short stacking energy: -180.513
Base-Backbone interact. energy: -0.906
local terms energy: -168.156191
where:
bonds (distance) C4'-P energy: -26.851
bonds (distance) P-C4' energy: -30.666
flat angles C4'-P-C4' energy: -34.350
flat angles P-C4'-P energy: -25.432
tors. eta vs tors. theta energy: -50.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -514.852832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.852832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.852832 (E_RNA)
where:
Base-Base interactions energy: -347.307
where: short stacking energy: -168.326
Base-Backbone interact. energy: -1.296
local terms energy: -166.250385
where:
bonds (distance) C4'-P energy: -29.018
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -32.073
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -47.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -530.865424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.865424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.865424 (E_RNA)
where:
Base-Base interactions energy: -357.932
where: short stacking energy: -168.230
Base-Backbone interact. energy: -1.432
local terms energy: -171.501210
where:
bonds (distance) C4'-P energy: -31.369
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -35.310
flat angles P-C4'-P energy: -24.714
tors. eta vs tors. theta energy: -47.148
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: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -498.079956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.079956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.079956 (E_RNA)
where:
Base-Base interactions energy: -346.125
where: short stacking energy: -169.916
Base-Backbone interact. energy: -0.431
local terms energy: -151.523921
where:
bonds (distance) C4'-P energy: -31.401
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -31.308
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: -45.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -454.114017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.114017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.114017 (E_RNA)
where:
Base-Base interactions energy: -301.662
where: short stacking energy: -129.337
Base-Backbone interact. energy: -0.629
local terms energy: -151.823421
where:
bonds (distance) C4'-P energy: -32.825
bonds (distance) P-C4' energy: -31.504
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -22.698
tors. eta vs tors. theta energy: -31.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -383.927271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.927271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.927271 (E_RNA)
where:
Base-Base interactions energy: -242.778
where: short stacking energy: -115.106
Base-Backbone interact. energy: -1.306
local terms energy: -139.844014
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -33.856
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -24.955
tors. eta vs tors. theta energy: -24.801
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: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -244.749179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.749179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.749179 (E_RNA)
where:
Base-Base interactions energy: -134.214
where: short stacking energy: -81.236
Base-Backbone interact. energy: -0.409
local terms energy: -110.126253
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -29.564
flat angles C4'-P-C4' energy: -27.871
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -167.781608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.781608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.781608 (E_RNA)
where:
Base-Base interactions energy: -66.351
where: short stacking energy: -42.201
Base-Backbone interact. energy: -0.694
local terms energy: -100.736691
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -26.974
flat angles C4'-P-C4' energy: -27.263
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: 4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -181.454600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.454600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.454600 (E_RNA)
where:
Base-Base interactions energy: -90.587
where: short stacking energy: -54.773
Base-Backbone interact. energy: 1.944
local terms energy: -92.811250
where:
bonds (distance) C4'-P energy: -25.407
bonds (distance) P-C4' energy: -31.822
flat angles C4'-P-C4' energy: -30.384
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: 2.693
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: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -587.690703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.690703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.690703 (E_RNA)
where:
Base-Base interactions energy: -398.567
where: short stacking energy: -178.929
Base-Backbone interact. energy: -0.660
local terms energy: -188.464138
where:
bonds (distance) C4'-P energy: -33.794
bonds (distance) P-C4' energy: -32.702
flat angles C4'-P-C4' energy: -38.579
flat angles P-C4'-P energy: -29.286
tors. eta vs tors. theta energy: -54.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -580.772759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.772759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.772759 (E_RNA)
where:
Base-Base interactions energy: -400.097
where: short stacking energy: -184.239
Base-Backbone interact. energy: -0.355
local terms energy: -180.321092
where:
bonds (distance) C4'-P energy: -32.455
bonds (distance) P-C4' energy: -33.140
flat angles C4'-P-C4' energy: -38.463
flat angles P-C4'-P energy: -25.569
tors. eta vs tors. theta energy: -50.694
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: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -506.936435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.936435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.936435 (E_RNA)
where:
Base-Base interactions energy: -341.900
where: short stacking energy: -164.256
Base-Backbone interact. energy: -0.909
local terms energy: -164.128055
where:
bonds (distance) C4'-P energy: -21.209
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -36.209
flat angles P-C4'-P energy: -30.184
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: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -518.393470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.393470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.393470 (E_RNA)
where:
Base-Base interactions energy: -351.091
where: short stacking energy: -167.428
Base-Backbone interact. energy: -1.827
local terms energy: -165.475785
where:
bonds (distance) C4'-P energy: -29.870
bonds (distance) P-C4' energy: -35.481
flat angles C4'-P-C4' energy: -34.191
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -43.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -477.140441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.140441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.140441 (E_RNA)
where:
Base-Base interactions energy: -320.718
where: short stacking energy: -154.292
Base-Backbone interact. energy: -0.480
local terms energy: -155.942294
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -34.351
tors. eta vs tors. theta energy: -43.232
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: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -470.372522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.372522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.372522 (E_RNA)
where:
Base-Base interactions energy: -314.172
where: short stacking energy: -141.850
Base-Backbone interact. energy: 0.651
local terms energy: -156.851939
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -36.525
flat angles P-C4'-P energy: -25.088
tors. eta vs tors. theta energy: -40.097
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: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -375.904148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.904148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.904148 (E_RNA)
where:
Base-Base interactions energy: -241.797
where: short stacking energy: -130.490
Base-Backbone interact. energy: -0.718
local terms energy: -133.389303
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -31.850
flat angles C4'-P-C4' energy: -31.243
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -32.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -255.861534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.861534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.861534 (E_RNA)
where:
Base-Base interactions energy: -141.332
where: short stacking energy: -83.662
Base-Backbone interact. energy: -0.152
local terms energy: -114.377648
where:
bonds (distance) C4'-P energy: -25.361
bonds (distance) P-C4' energy: -29.051
flat angles C4'-P-C4' energy: -28.580
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -16.266
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: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -179.120323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.120323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.120323 (E_RNA)
where:
Base-Base interactions energy: -79.521
where: short stacking energy: -55.109
Base-Backbone interact. energy: -0.650
local terms energy: -98.950182
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -25.944
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -193.587448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.587448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.587448 (E_RNA)
where:
Base-Base interactions energy: -108.943
where: short stacking energy: -64.794
Base-Backbone interact. energy: 2.234
local terms energy: -86.878128
where:
bonds (distance) C4'-P energy: -24.444
bonds (distance) P-C4' energy: -28.170
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: 5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -588.477160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.477160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.477160 (E_RNA)
where:
Base-Base interactions energy: -407.571
where: short stacking energy: -178.275
Base-Backbone interact. energy: -0.188
local terms energy: -180.717444
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -32.996
flat angles C4'-P-C4' energy: -40.109
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -53.839
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: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -575.549268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.549268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.549268 (E_RNA)
where:
Base-Base interactions energy: -402.217
where: short stacking energy: -171.593
Base-Backbone interact. energy: -0.455
local terms energy: -172.877122
where:
bonds (distance) C4'-P energy: -34.571
bonds (distance) P-C4' energy: -31.305
flat angles C4'-P-C4' energy: -36.757
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -45.137
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: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -527.586417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.586417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.586417 (E_RNA)
where:
Base-Base interactions energy: -357.164
where: short stacking energy: -174.206
Base-Backbone interact. energy: -0.695
local terms energy: -169.727743
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -33.195
flat angles C4'-P-C4' energy: -34.481
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -53.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -504.772251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.772251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.772251 (E_RNA)
where:
Base-Base interactions energy: -333.479
where: short stacking energy: -160.180
Base-Backbone interact. energy: -0.393
local terms energy: -170.900447
where:
bonds (distance) C4'-P energy: -27.381
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -36.323
flat angles P-C4'-P energy: -28.358
tors. eta vs tors. theta energy: -47.742
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: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -477.931048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.931048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.931048 (E_RNA)
where:
Base-Base interactions energy: -331.091
where: short stacking energy: -150.351
Base-Backbone interact. energy: -1.310
local terms energy: -145.529925
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -23.731
flat angles C4'-P-C4' energy: -29.032
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -41.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -457.556651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.556651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.556651 (E_RNA)
where:
Base-Base interactions energy: -300.888
where: short stacking energy: -143.710
Base-Backbone interact. energy: -1.242
local terms energy: -155.426816
where:
bonds (distance) C4'-P energy: -29.979
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -22.184
tors. eta vs tors. theta energy: -37.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -360.560451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.560451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.560451 (E_RNA)
where:
Base-Base interactions energy: -217.352
where: short stacking energy: -104.382
Base-Backbone interact. energy: 0.962
local terms energy: -144.170361
where:
bonds (distance) C4'-P energy: -30.558
bonds (distance) P-C4' energy: -30.478
flat angles C4'-P-C4' energy: -32.769
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -28.695
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: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -251.192064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.192064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.192064 (E_RNA)
where:
Base-Base interactions energy: -130.480
where: short stacking energy: -92.223
Base-Backbone interact. energy: -0.441
local terms energy: -120.271171
where:
bonds (distance) C4'-P energy: -33.125
bonds (distance) P-C4' energy: -25.676
flat angles C4'-P-C4' energy: -27.704
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -22.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -199.614028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.614028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.614028 (E_RNA)
where:
Base-Base interactions energy: -91.026
where: short stacking energy: -79.120
Base-Backbone interact. energy: 0.849
local terms energy: -109.436817
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -30.781
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -19.561
tors. eta vs tors. theta energy: -14.452
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: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -168.640944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.640944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.640944 (E_RNA)
where:
Base-Base interactions energy: -70.495
where: short stacking energy: -54.602
Base-Backbone interact. energy: -0.816
local terms energy: -97.330591
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -34.687
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -582.288501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.288501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.288501 (E_RNA)
where:
Base-Base interactions energy: -403.672
where: short stacking energy: -176.409
Base-Backbone interact. energy: -0.691
local terms energy: -177.925350
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -34.476
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -55.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -567.026082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.026082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.026082 (E_RNA)
where:
Base-Base interactions energy: -400.930
where: short stacking energy: -187.199
Base-Backbone interact. energy: -0.304
local terms energy: -165.792462
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -33.877
flat angles C4'-P-C4' energy: -32.876
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -49.788
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: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -515.183033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.183033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.183033 (E_RNA)
where:
Base-Base interactions energy: -342.014
where: short stacking energy: -166.673
Base-Backbone interact. energy: -0.024
local terms energy: -173.145447
where:
bonds (distance) C4'-P energy: -32.449
bonds (distance) P-C4' energy: -33.848
flat angles C4'-P-C4' energy: -32.850
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -48.654
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: 419
Temperature: 1.050000
Total energy: -515.053038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.053038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.053038 (E_RNA)
where:
Base-Base interactions energy: -357.873
where: short stacking energy: -167.479
Base-Backbone interact. energy: 0.311
local terms energy: -157.491199
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -34.193
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -42.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -475.228448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.228448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.228448 (E_RNA)
where:
Base-Base interactions energy: -326.048
where: short stacking energy: -137.294
Base-Backbone interact. energy: -1.917
local terms energy: -147.263400
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: -29.770
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: 419
Temperature: 1.150000
Total energy: -428.332800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.332800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.332800 (E_RNA)
where:
Base-Base interactions energy: -288.611
where: short stacking energy: -133.895
Base-Backbone interact. energy: -0.377
local terms energy: -139.344827
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -29.909
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: -34.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -328.942435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.942435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.942435 (E_RNA)
where:
Base-Base interactions energy: -208.057
where: short stacking energy: -96.751
Base-Backbone interact. energy: -1.307
local terms energy: -119.578377
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -27.595
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -24.538
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: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -253.840894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.840894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.840894 (E_RNA)
where:
Base-Base interactions energy: -138.055
where: short stacking energy: -86.457
Base-Backbone interact. energy: -0.786
local terms energy: -114.999003
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -31.255
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -16.031
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: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -159.693167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.693167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.693167 (E_RNA)
where:
Base-Base interactions energy: -61.329
where: short stacking energy: -59.439
Base-Backbone interact. energy: -0.716
local terms energy: -97.648808
where:
bonds (distance) C4'-P energy: -32.217
bonds (distance) P-C4' energy: -27.691
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: 3.634
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: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -161.658780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.658780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.658780 (E_RNA)
where:
Base-Base interactions energy: -79.891
where: short stacking energy: -56.554
Base-Backbone interact. energy: -0.449
local terms energy: -81.319183
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -588.680716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.680716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.680716 (E_RNA)
where:
Base-Base interactions energy: -413.954
where: short stacking energy: -190.271
Base-Backbone interact. energy: -0.184
local terms energy: -174.542732
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -33.306
flat angles C4'-P-C4' energy: -38.195
flat angles P-C4'-P energy: -23.049
tors. eta vs tors. theta energy: -48.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -584.724865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.724865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.724865 (E_RNA)
where:
Base-Base interactions energy: -398.673
where: short stacking energy: -187.205
Base-Backbone interact. energy: -0.012
local terms energy: -186.040086
where:
bonds (distance) C4'-P energy: -31.002
bonds (distance) P-C4' energy: -31.959
flat angles C4'-P-C4' energy: -42.965
flat angles P-C4'-P energy: -27.800
tors. eta vs tors. theta energy: -52.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -509.603902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.603902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.603902 (E_RNA)
where:
Base-Base interactions energy: -336.359
where: short stacking energy: -159.168
Base-Backbone interact. energy: -1.145
local terms energy: -172.099620
where:
bonds (distance) C4'-P energy: -36.371
bonds (distance) P-C4' energy: -30.274
flat angles C4'-P-C4' energy: -37.475
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -39.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -520.096437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.096437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.096437 (E_RNA)
where:
Base-Base interactions energy: -356.666
where: short stacking energy: -166.101
Base-Backbone interact. energy: 1.971
local terms energy: -165.401458
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -30.713
flat angles C4'-P-C4' energy: -31.646
flat angles P-C4'-P energy: -23.793
tors. eta vs tors. theta energy: -49.665
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: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -442.933481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.933481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.933481 (E_RNA)
where:
Base-Base interactions energy: -295.714
where: short stacking energy: -136.728
Base-Backbone interact. energy: -1.736
local terms energy: -145.484012
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -33.327
flat angles C4'-P-C4' energy: -32.500
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -38.196
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: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -452.004444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.004444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.004444 (E_RNA)
where:
Base-Base interactions energy: -311.150
where: short stacking energy: -150.254
Base-Backbone interact. energy: -0.993
local terms energy: -139.860590
where:
bonds (distance) C4'-P energy: -27.793
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -32.169
flat angles P-C4'-P energy: -20.575
tors. eta vs tors. theta energy: -33.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -336.412134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.412134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.412134 (E_RNA)
where:
Base-Base interactions energy: -216.989
where: short stacking energy: -110.703
Base-Backbone interact. energy: -0.178
local terms energy: -119.245394
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -31.204
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -26.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -313.404395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.404395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.404395 (E_RNA)
where:
Base-Base interactions energy: -182.529
where: short stacking energy: -105.701
Base-Backbone interact. energy: -0.646
local terms energy: -130.229349
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -30.675
flat angles C4'-P-C4' energy: -32.432
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -24.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -163.633697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.633697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.633697 (E_RNA)
where:
Base-Base interactions energy: -65.166
where: short stacking energy: -45.285
Base-Backbone interact. energy: -1.290
local terms energy: -97.177824
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -34.504
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: 1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -174.676653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.676653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.676653 (E_RNA)
where:
Base-Base interactions energy: -71.246
where: short stacking energy: -68.203
Base-Backbone interact. energy: -0.368
local terms energy: -103.062395
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -11.056
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: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -586.951556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.951556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.951556 (E_RNA)
where:
Base-Base interactions energy: -405.872
where: short stacking energy: -189.155
Base-Backbone interact. energy: -0.581
local terms energy: -180.499169
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -29.156
flat angles C4'-P-C4' energy: -36.018
flat angles P-C4'-P energy: -27.838
tors. eta vs tors. theta energy: -51.165
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: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -574.685662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.685662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.685662 (E_RNA)
where:
Base-Base interactions energy: -401.900
where: short stacking energy: -182.511
Base-Backbone interact. energy: -0.181
local terms energy: -172.605394
where:
bonds (distance) C4'-P energy: -34.833
bonds (distance) P-C4' energy: -27.543
flat angles C4'-P-C4' energy: -34.782
flat angles P-C4'-P energy: -26.600
tors. eta vs tors. theta energy: -48.847
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: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -511.605554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.605554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.605554 (E_RNA)
where:
Base-Base interactions energy: -347.197
where: short stacking energy: -165.546
Base-Backbone interact. energy: -1.962
local terms energy: -162.447090
where:
bonds (distance) C4'-P energy: -29.686
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -36.749
flat angles P-C4'-P energy: -20.750
tors. eta vs tors. theta energy: -46.771
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: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -516.347575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.347575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.347575 (E_RNA)
where:
Base-Base interactions energy: -341.853
where: short stacking energy: -168.455
Base-Backbone interact. energy: -0.707
local terms energy: -173.786856
where:
bonds (distance) C4'-P energy: -28.545
bonds (distance) P-C4' energy: -35.121
flat angles C4'-P-C4' energy: -35.976
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -49.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -481.465758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.465758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.465758 (E_RNA)
where:
Base-Base interactions energy: -326.780
where: short stacking energy: -150.388
Base-Backbone interact. energy: 0.395
local terms energy: -155.080231
where:
bonds (distance) C4'-P energy: -27.334
bonds (distance) P-C4' energy: -35.013
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -43.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -481.626819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.626819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.626819 (E_RNA)
where:
Base-Base interactions energy: -337.453
where: short stacking energy: -154.594
Base-Backbone interact. energy: -0.206
local terms energy: -143.967903
where:
bonds (distance) C4'-P energy: -26.956
bonds (distance) P-C4' energy: -27.940
flat angles C4'-P-C4' energy: -29.357
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -43.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -354.836574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.836574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.836574 (E_RNA)
where:
Base-Base interactions energy: -227.492
where: short stacking energy: -115.552
Base-Backbone interact. energy: -1.045
local terms energy: -126.299261
where:
bonds (distance) C4'-P energy: -25.123
bonds (distance) P-C4' energy: -32.632
flat angles C4'-P-C4' energy: -23.816
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -25.052
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: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -299.435755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.435755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.435755 (E_RNA)
where:
Base-Base interactions energy: -182.954
where: short stacking energy: -95.126
Base-Backbone interact. energy: 0.095
local terms energy: -116.576905
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -33.789
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -26.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -167.418540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.418540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.418540 (E_RNA)
where:
Base-Base interactions energy: -55.140
where: short stacking energy: -54.566
Base-Backbone interact. energy: 2.204
local terms energy: -114.482092
where:
bonds (distance) C4'-P energy: -33.613
bonds (distance) P-C4' energy: -32.422
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -6.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -159.901299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.901299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.901299 (E_RNA)
where:
Base-Base interactions energy: -65.570
where: short stacking energy: -59.277
Base-Backbone interact. energy: -1.387
local terms energy: -92.943868
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -31.066
flat angles C4'-P-C4' energy: -27.862
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -2.080
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: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -583.809605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.809605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.809605 (E_RNA)
where:
Base-Base interactions energy: -410.941
where: short stacking energy: -188.870
Base-Backbone interact. energy: -1.198
local terms energy: -171.670326
where:
bonds (distance) C4'-P energy: -30.124
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -39.379
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -52.051
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: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -565.325433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.325433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.325433 (E_RNA)
where:
Base-Base interactions energy: -384.053
where: short stacking energy: -174.687
Base-Backbone interact. energy: -1.702
local terms energy: -179.570505
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -32.866
flat angles C4'-P-C4' energy: -37.077
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -51.626
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: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -530.973562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.973562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.973562 (E_RNA)
where:
Base-Base interactions energy: -354.141
where: short stacking energy: -174.926
Base-Backbone interact. energy: -2.662
local terms energy: -174.171239
where:
bonds (distance) C4'-P energy: -30.176
bonds (distance) P-C4' energy: -33.018
flat angles C4'-P-C4' energy: -34.713
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -51.265
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: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -488.977031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.977031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.977031 (E_RNA)
where:
Base-Base interactions energy: -339.201
where: short stacking energy: -147.744
Base-Backbone interact. energy: -3.084
local terms energy: -146.692094
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -31.592
flat angles C4'-P-C4' energy: -30.558
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -40.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -491.438322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.438322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.438322 (E_RNA)
where:
Base-Base interactions energy: -336.551
where: short stacking energy: -153.361
Base-Backbone interact. energy: -0.152
local terms energy: -154.735365
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -37.802
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -43.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -432.159925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.159925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.159925 (E_RNA)
where:
Base-Base interactions energy: -285.193
where: short stacking energy: -119.073
Base-Backbone interact. energy: -0.703
local terms energy: -146.263247
where:
bonds (distance) C4'-P energy: -32.423
bonds (distance) P-C4' energy: -28.508
flat angles C4'-P-C4' energy: -30.540
flat angles P-C4'-P energy: -25.875
tors. eta vs tors. theta energy: -28.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -372.953840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.953840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.953840 (E_RNA)
where:
Base-Base interactions energy: -235.930
where: short stacking energy: -127.389
Base-Backbone interact. energy: 0.164
local terms energy: -137.187718
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -28.979
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -19.882
tors. eta vs tors. theta energy: -31.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -269.022764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.022764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.022764 (E_RNA)
where:
Base-Base interactions energy: -147.513
where: short stacking energy: -90.712
Base-Backbone interact. energy: -0.467
local terms energy: -121.042296
where:
bonds (distance) C4'-P energy: -27.317
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -22.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -173.641715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.641715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.641715 (E_RNA)
where:
Base-Base interactions energy: -75.266
where: short stacking energy: -74.077
Base-Backbone interact. energy: 1.372
local terms energy: -99.747796
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -27.061
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -166.239085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.239085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.239085 (E_RNA)
where:
Base-Base interactions energy: -53.671
where: short stacking energy: -30.545
Base-Backbone interact. energy: 1.804
local terms energy: -114.371490
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -33.648
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -0.996
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: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -588.421441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.421441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.421441 (E_RNA)
where:
Base-Base interactions energy: -407.998
where: short stacking energy: -191.136
Base-Backbone interact. energy: -0.049
local terms energy: -180.374641
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -33.964
flat angles C4'-P-C4' energy: -37.345
flat angles P-C4'-P energy: -29.227
tors. eta vs tors. theta energy: -51.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -577.901542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.901542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.901542 (E_RNA)
where:
Base-Base interactions energy: -411.265
where: short stacking energy: -185.452
Base-Backbone interact. energy: -0.854
local terms energy: -165.781926
where:
bonds (distance) C4'-P energy: -27.302
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -38.093
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -54.208
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: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -531.457396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.457396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.457396 (E_RNA)
where:
Base-Base interactions energy: -349.508
where: short stacking energy: -169.528
Base-Backbone interact. energy: -2.101
local terms energy: -179.849066
where:
bonds (distance) C4'-P energy: -33.737
bonds (distance) P-C4' energy: -40.320
flat angles C4'-P-C4' energy: -35.917
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -50.700
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: 423
Temperature: 1.050000
Total energy: -508.418095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.418095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.418095 (E_RNA)
where:
Base-Base interactions energy: -344.994
where: short stacking energy: -171.390
Base-Backbone interact. energy: -0.734
local terms energy: -162.690083
where:
bonds (distance) C4'-P energy: -26.559
bonds (distance) P-C4' energy: -31.791
flat angles C4'-P-C4' energy: -34.365
flat angles P-C4'-P energy: -24.240
tors. eta vs tors. theta energy: -45.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -461.731746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.731746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.731746 (E_RNA)
where:
Base-Base interactions energy: -309.592
where: short stacking energy: -146.326
Base-Backbone interact. energy: 1.197
local terms energy: -153.337083
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -35.247
flat angles C4'-P-C4' energy: -29.622
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -44.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -420.112693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.112693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.112693 (E_RNA)
where:
Base-Base interactions energy: -274.318
where: short stacking energy: -128.981
Base-Backbone interact. energy: 3.715
local terms energy: -149.509683
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -20.430
tors. eta vs tors. theta energy: -39.427
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: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -365.043307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.043307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.043307 (E_RNA)
where:
Base-Base interactions energy: -227.439
where: short stacking energy: -120.383
Base-Backbone interact. energy: -0.290
local terms energy: -137.313758
where:
bonds (distance) C4'-P energy: -26.394
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -32.881
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -29.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -284.913394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.913394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.913394 (E_RNA)
where:
Base-Base interactions energy: -154.797
where: short stacking energy: -89.544
Base-Backbone interact. energy: -0.345
local terms energy: -129.771450
where:
bonds (distance) C4'-P energy: -31.515
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -166.383181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.383181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.383181 (E_RNA)
where:
Base-Base interactions energy: -74.361
where: short stacking energy: -69.120
Base-Backbone interact. energy: -0.726
local terms energy: -91.295777
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -32.052
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: 1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -154.321068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.321068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.321068 (E_RNA)
where:
Base-Base interactions energy: -44.083
where: short stacking energy: -41.317
Base-Backbone interact. energy: -0.494
local terms energy: -109.743533
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -33.120
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -586.639205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.639205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.639205 (E_RNA)
where:
Base-Base interactions energy: -401.519
where: short stacking energy: -188.769
Base-Backbone interact. energy: -0.053
local terms energy: -185.067064
where:
bonds (distance) C4'-P energy: -39.797
bonds (distance) P-C4' energy: -35.482
flat angles C4'-P-C4' energy: -36.195
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -49.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -580.609631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.609631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.609631 (E_RNA)
where:
Base-Base interactions energy: -397.261
where: short stacking energy: -174.390
Base-Backbone interact. energy: -0.675
local terms energy: -182.673560
where:
bonds (distance) C4'-P energy: -28.846
bonds (distance) P-C4' energy: -35.640
flat angles C4'-P-C4' energy: -39.426
flat angles P-C4'-P energy: -29.623
tors. eta vs tors. theta energy: -49.138
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: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -535.924336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.924336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.924336 (E_RNA)
where:
Base-Base interactions energy: -361.631
where: short stacking energy: -174.580
Base-Backbone interact. energy: -0.359
local terms energy: -173.934409
where:
bonds (distance) C4'-P energy: -29.978
bonds (distance) P-C4' energy: -32.279
flat angles C4'-P-C4' energy: -36.030
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -52.726
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: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -500.257369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.257369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.257369 (E_RNA)
where:
Base-Base interactions energy: -318.942
where: short stacking energy: -160.389
Base-Backbone interact. energy: -0.788
local terms energy: -180.528111
where:
bonds (distance) C4'-P energy: -33.636
bonds (distance) P-C4' energy: -32.949
flat angles C4'-P-C4' energy: -39.827
flat angles P-C4'-P energy: -28.247
tors. eta vs tors. theta energy: -45.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -477.123796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.123796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.123796 (E_RNA)
where:
Base-Base interactions energy: -324.000
where: short stacking energy: -155.009
Base-Backbone interact. energy: 0.290
local terms energy: -153.414097
where:
bonds (distance) C4'-P energy: -31.448
bonds (distance) P-C4' energy: -29.897
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -39.355
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: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -452.775062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.775062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.775062 (E_RNA)
where:
Base-Base interactions energy: -302.655
where: short stacking energy: -148.400
Base-Backbone interact. energy: -1.761
local terms energy: -148.358988
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -28.858
flat angles C4'-P-C4' energy: -34.281
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -39.199
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: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -345.160833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.160833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.160833 (E_RNA)
where:
Base-Base interactions energy: -209.265
where: short stacking energy: -112.718
Base-Backbone interact. energy: 0.140
local terms energy: -136.035908
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -34.662
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -20.195
tors. eta vs tors. theta energy: -24.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -241.548143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.548143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.548143 (E_RNA)
where:
Base-Base interactions energy: -150.380
where: short stacking energy: -82.079
Base-Backbone interact. energy: -0.453
local terms energy: -90.714856
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -28.614
flat angles C4'-P-C4' energy: -25.638
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -3.201
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: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -163.873248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.873248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.873248 (E_RNA)
where:
Base-Base interactions energy: -64.801
where: short stacking energy: -63.668
Base-Backbone interact. energy: -0.399
local terms energy: -98.673243
where:
bonds (distance) C4'-P energy: -24.028
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -6.842
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: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -169.927099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.927099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.927099 (E_RNA)
where:
Base-Base interactions energy: -60.088
where: short stacking energy: -58.312
Base-Backbone interact. energy: 1.526
local terms energy: -111.365162
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -580.507882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.507882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.507882 (E_RNA)
where:
Base-Base interactions energy: -403.873
where: short stacking energy: -177.521
Base-Backbone interact. energy: 0.144
local terms energy: -176.778414
where:
bonds (distance) C4'-P energy: -31.339
bonds (distance) P-C4' energy: -29.235
flat angles C4'-P-C4' energy: -36.505
flat angles P-C4'-P energy: -28.353
tors. eta vs tors. theta energy: -51.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -550.816158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.816158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.816158 (E_RNA)
where:
Base-Base interactions energy: -370.521
where: short stacking energy: -180.703
Base-Backbone interact. energy: -0.738
local terms energy: -179.557307
where:
bonds (distance) C4'-P energy: -30.477
bonds (distance) P-C4' energy: -32.261
flat angles C4'-P-C4' energy: -39.784
flat angles P-C4'-P energy: -24.633
tors. eta vs tors. theta energy: -52.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -575.781880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.781880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.781880 (E_RNA)
where:
Base-Base interactions energy: -404.861
where: short stacking energy: -176.688
Base-Backbone interact. energy: 2.487
local terms energy: -173.408415
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -34.707
flat angles C4'-P-C4' energy: -34.261
flat angles P-C4'-P energy: -27.812
tors. eta vs tors. theta energy: -46.980
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: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -501.380951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.380951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.380951 (E_RNA)
where:
Base-Base interactions energy: -348.846
where: short stacking energy: -169.216
Base-Backbone interact. energy: -0.886
local terms energy: -151.649490
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -26.443
flat angles C4'-P-C4' energy: -32.747
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -46.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -496.151117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.151117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.151117 (E_RNA)
where:
Base-Base interactions energy: -339.294
where: short stacking energy: -160.520
Base-Backbone interact. energy: 0.770
local terms energy: -157.627820
where:
bonds (distance) C4'-P energy: -26.029
bonds (distance) P-C4' energy: -36.119
flat angles C4'-P-C4' energy: -33.506
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -42.318
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: 6, replica: 2
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -450.910341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.910341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.910341 (E_RNA)
where:
Base-Base interactions energy: -297.675
where: short stacking energy: -141.586
Base-Backbone interact. energy: -1.811
local terms energy: -151.424611
where:
bonds (distance) C4'-P energy: -25.838
bonds (distance) P-C4' energy: -30.279
flat angles C4'-P-C4' energy: -34.832
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -39.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -380.866066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.866066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.866066 (E_RNA)
where:
Base-Base interactions energy: -248.883
where: short stacking energy: -127.908
Base-Backbone interact. energy: -0.733
local terms energy: -131.250120
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -28.450
flat angles C4'-P-C4' energy: -30.408
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -30.229
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: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -248.595760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.595760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.595760 (E_RNA)
where:
Base-Base interactions energy: -153.190
where: short stacking energy: -75.941
Base-Backbone interact. energy: 0.005
local terms energy: -95.411142
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -28.264
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -183.760369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.760369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.760369 (E_RNA)
where:
Base-Base interactions energy: -99.157
where: short stacking energy: -61.945
Base-Backbone interact. energy: -0.520
local terms energy: -84.082746
where:
bonds (distance) C4'-P energy: -26.157
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -0.565
tors. eta vs tors. theta energy: -7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -151.611491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.611491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.611491 (E_RNA)
where:
Base-Base interactions energy: -58.855
where: short stacking energy: -52.271
Base-Backbone interact. energy: -1.639
local terms energy: -91.117985
where:
bonds (distance) C4'-P energy: -30.518
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: 3.725
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: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -586.902775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.902775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.902775 (E_RNA)
where:
Base-Base interactions energy: -418.975
where: short stacking energy: -180.013
Base-Backbone interact. energy: -1.083
local terms energy: -166.844912
where:
bonds (distance) C4'-P energy: -28.028
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -40.146
flat angles P-C4'-P energy: -22.129
tors. eta vs tors. theta energy: -45.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -550.927639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.927639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.927639 (E_RNA)
where:
Base-Base interactions energy: -366.855
where: short stacking energy: -184.868
Base-Backbone interact. energy: 0.390
local terms energy: -184.462357
where:
bonds (distance) C4'-P energy: -31.117
bonds (distance) P-C4' energy: -36.390
flat angles C4'-P-C4' energy: -37.919
flat angles P-C4'-P energy: -27.196
tors. eta vs tors. theta energy: -51.840
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: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -579.022952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.022952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.022952 (E_RNA)
where:
Base-Base interactions energy: -405.562
where: short stacking energy: -183.277
Base-Backbone interact. energy: -0.546
local terms energy: -172.915214
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -33.372
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -47.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -523.478506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.478506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.478506 (E_RNA)
where:
Base-Base interactions energy: -343.328
where: short stacking energy: -165.102
Base-Backbone interact. energy: -0.075
local terms energy: -180.075059
where:
bonds (distance) C4'-P energy: -33.450
bonds (distance) P-C4' energy: -31.656
flat angles C4'-P-C4' energy: -40.549
flat angles P-C4'-P energy: -30.881
tors. eta vs tors. theta energy: -43.539
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: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -488.146315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.146315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.146315 (E_RNA)
where:
Base-Base interactions energy: -346.380
where: short stacking energy: -166.598
Base-Backbone interact. energy: -0.538
local terms energy: -141.227628
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -27.179
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: -42.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -438.068614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.068614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.068614 (E_RNA)
where:
Base-Base interactions energy: -295.718
where: short stacking energy: -148.567
Base-Backbone interact. energy: -0.422
local terms energy: -141.928643
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -22.894
tors. eta vs tors. theta energy: -34.502
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: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -380.361452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.361452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.361452 (E_RNA)
where:
Base-Base interactions energy: -232.390
where: short stacking energy: -118.536
Base-Backbone interact. energy: -1.550
local terms energy: -146.421082
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -26.856
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -33.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -332.179141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.179141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.179141 (E_RNA)
where:
Base-Base interactions energy: -194.875
where: short stacking energy: -109.732
Base-Backbone interact. energy: -0.261
local terms energy: -137.042730
where:
bonds (distance) C4'-P energy: -32.586
bonds (distance) P-C4' energy: -28.042
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -27.971
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: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -160.308520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.308520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.308520 (E_RNA)
where:
Base-Base interactions energy: -74.923
where: short stacking energy: -63.530
Base-Backbone interact. energy: 1.852
local terms energy: -87.238052
where:
bonds (distance) C4'-P energy: -25.731
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -150.531596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.531596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.531596 (E_RNA)
where:
Base-Base interactions energy: -62.806
where: short stacking energy: -48.877
Base-Backbone interact. energy: -1.002
local terms energy: -86.723697
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -31.154
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: 2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -575.299879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.299879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.299879 (E_RNA)
where:
Base-Base interactions energy: -414.123
where: short stacking energy: -180.805
Base-Backbone interact. energy: -0.324
local terms energy: -160.853331
where:
bonds (distance) C4'-P energy: -25.545
bonds (distance) P-C4' energy: -29.040
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -48.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -582.351057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.351057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.351057 (E_RNA)
where:
Base-Base interactions energy: -405.236
where: short stacking energy: -188.919
Base-Backbone interact. energy: -0.898
local terms energy: -176.216713
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -26.786
flat angles C4'-P-C4' energy: -35.919
flat angles P-C4'-P energy: -29.652
tors. eta vs tors. theta energy: -55.954
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: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -532.868937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.868937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.868937 (E_RNA)
where:
Base-Base interactions energy: -360.603
where: short stacking energy: -179.472
Base-Backbone interact. energy: -2.341
local terms energy: -169.924733
where:
bonds (distance) C4'-P energy: -28.312
bonds (distance) P-C4' energy: -29.234
flat angles C4'-P-C4' energy: -29.561
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -50.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -506.720034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.720034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.720034 (E_RNA)
where:
Base-Base interactions energy: -346.569
where: short stacking energy: -169.192
Base-Backbone interact. energy: -0.200
local terms energy: -159.950970
where:
bonds (distance) C4'-P energy: -26.351
bonds (distance) P-C4' energy: -30.941
flat angles C4'-P-C4' energy: -35.195
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: -48.310
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: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -496.411041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.411041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.411041 (E_RNA)
where:
Base-Base interactions energy: -343.867
where: short stacking energy: -158.633
Base-Backbone interact. energy: -1.318
local terms energy: -151.226923
where:
bonds (distance) C4'-P energy: -32.190
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -30.707
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -44.972
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: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -470.284754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.284754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.284754 (E_RNA)
where:
Base-Base interactions energy: -324.176
where: short stacking energy: -154.705
Base-Backbone interact. energy: 0.656
local terms energy: -146.764588
where:
bonds (distance) C4'-P energy: -28.283
bonds (distance) P-C4' energy: -27.784
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -22.511
tors. eta vs tors. theta energy: -38.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -387.468884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.468884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.468884 (E_RNA)
where:
Base-Base interactions energy: -249.049
where: short stacking energy: -133.434
Base-Backbone interact. energy: 0.302
local terms energy: -138.722417
where:
bonds (distance) C4'-P energy: -26.402
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -36.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -321.158024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.158024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.158024 (E_RNA)
where:
Base-Base interactions energy: -196.179
where: short stacking energy: -98.030
Base-Backbone interact. energy: -1.157
local terms energy: -123.822049
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -29.138
flat angles P-C4'-P energy: -11.994
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: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -169.164781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.164781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.164781 (E_RNA)
where:
Base-Base interactions energy: -75.368
where: short stacking energy: -74.316
Base-Backbone interact. energy: 0.661
local terms energy: -94.457514
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -31.585
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -155.872147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.872147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.872147 (E_RNA)
where:
Base-Base interactions energy: -58.299
where: short stacking energy: -38.957
Base-Backbone interact. energy: -1.449
local terms energy: -96.123756
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: 0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -585.261570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.261570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.261570 (E_RNA)
where:
Base-Base interactions energy: -416.210
where: short stacking energy: -186.211
Base-Backbone interact. energy: -0.207
local terms energy: -168.843714
where:
bonds (distance) C4'-P energy: -34.071
bonds (distance) P-C4' energy: -30.190
flat angles C4'-P-C4' energy: -33.363
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -49.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -577.043792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.043792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.043792 (E_RNA)
where:
Base-Base interactions energy: -401.366
where: short stacking energy: -188.041
Base-Backbone interact. energy: -0.282
local terms energy: -175.396005
where:
bonds (distance) C4'-P energy: -34.752
bonds (distance) P-C4' energy: -27.600
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -25.107
tors. eta vs tors. theta energy: -52.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -538.898848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.898848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.898848 (E_RNA)
where:
Base-Base interactions energy: -365.387
where: short stacking energy: -165.575
Base-Backbone interact. energy: -0.512
local terms energy: -173.000501
where:
bonds (distance) C4'-P energy: -32.826
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -37.991
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: -52.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -495.785874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.785874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.785874 (E_RNA)
where:
Base-Base interactions energy: -331.891
where: short stacking energy: -165.006
Base-Backbone interact. energy: -0.433
local terms energy: -163.461563
where:
bonds (distance) C4'-P energy: -25.179
bonds (distance) P-C4' energy: -35.684
flat angles C4'-P-C4' energy: -31.154
flat angles P-C4'-P energy: -28.932
tors. eta vs tors. theta energy: -42.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -473.502460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.502460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.502460 (E_RNA)
where:
Base-Base interactions energy: -317.258
where: short stacking energy: -139.823
Base-Backbone interact. energy: -1.029
local terms energy: -155.215568
where:
bonds (distance) C4'-P energy: -33.770
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -32.776
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -29.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -460.191199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.191199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.191199 (E_RNA)
where:
Base-Base interactions energy: -316.050
where: short stacking energy: -147.919
Base-Backbone interact. energy: -0.115
local terms energy: -144.026135
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -31.793
flat angles C4'-P-C4' energy: -31.748
flat angles P-C4'-P energy: -23.805
tors. eta vs tors. theta energy: -35.405
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: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -381.752913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.752913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.752913 (E_RNA)
where:
Base-Base interactions energy: -242.113
where: short stacking energy: -118.407
Base-Backbone interact. energy: -0.660
local terms energy: -138.979471
where:
bonds (distance) C4'-P energy: -23.690
bonds (distance) P-C4' energy: -34.955
flat angles C4'-P-C4' energy: -34.894
flat angles P-C4'-P energy: -16.667
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: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -318.526801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.526801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.526801 (E_RNA)
where:
Base-Base interactions energy: -190.780
where: short stacking energy: -101.057
Base-Backbone interact. energy: -1.806
local terms energy: -125.940895
where:
bonds (distance) C4'-P energy: -29.589
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -27.886
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -169.425331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.425331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.425331 (E_RNA)
where:
Base-Base interactions energy: -72.020
where: short stacking energy: -62.199
Base-Backbone interact. energy: 1.234
local terms energy: -98.638793
where:
bonds (distance) C4'-P energy: -29.394
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: 0.483
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: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -164.761723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.761723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.761723 (E_RNA)
where:
Base-Base interactions energy: -77.408
where: short stacking energy: -72.785
Base-Backbone interact. energy: 0.736
local terms energy: -88.088958
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -588.122596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.122596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.122596 (E_RNA)
where:
Base-Base interactions energy: -416.276
where: short stacking energy: -193.480
Base-Backbone interact. energy: -0.369
local terms energy: -171.478077
where:
bonds (distance) C4'-P energy: -32.952
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -35.270
flat angles P-C4'-P energy: -25.961
tors. eta vs tors. theta energy: -53.650
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: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -537.796379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.796379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.796379 (E_RNA)
where:
Base-Base interactions energy: -362.109
where: short stacking energy: -179.271
Base-Backbone interact. energy: -0.587
local terms energy: -175.099963
where:
bonds (distance) C4'-P energy: -34.558
bonds (distance) P-C4' energy: -26.212
flat angles C4'-P-C4' energy: -35.103
flat angles P-C4'-P energy: -29.479
tors. eta vs tors. theta energy: -49.749
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: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -564.494303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.494303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.494303 (E_RNA)
where:
Base-Base interactions energy: -393.942
where: short stacking energy: -176.148
Base-Backbone interact. energy: -0.909
local terms energy: -169.642939
where:
bonds (distance) C4'-P energy: -31.886
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -32.506
flat angles P-C4'-P energy: -23.032
tors. eta vs tors. theta energy: -49.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -501.470781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.470781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.470781 (E_RNA)
where:
Base-Base interactions energy: -347.558
where: short stacking energy: -155.310
Base-Backbone interact. energy: 0.611
local terms energy: -154.523490
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -28.986
flat angles C4'-P-C4' energy: -33.171
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -39.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -487.803954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.803954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.803954 (E_RNA)
where:
Base-Base interactions energy: -320.512
where: short stacking energy: -135.174
Base-Backbone interact. energy: -0.054
local terms energy: -167.238017
where:
bonds (distance) C4'-P energy: -30.598
bonds (distance) P-C4' energy: -31.947
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: -42.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -478.948547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.948547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.948547 (E_RNA)
where:
Base-Base interactions energy: -339.447
where: short stacking energy: -158.644
Base-Backbone interact. energy: -0.164
local terms energy: -139.337471
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -30.176
flat angles C4'-P-C4' energy: -33.502
flat angles P-C4'-P energy: -19.567
tors. eta vs tors. theta energy: -37.919
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: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -366.065691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.065691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.065691 (E_RNA)
where:
Base-Base interactions energy: -235.643
where: short stacking energy: -128.457
Base-Backbone interact. energy: -0.242
local terms energy: -130.180718
where:
bonds (distance) C4'-P energy: -29.890
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -34.302
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: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -332.825923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.825923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.825923 (E_RNA)
where:
Base-Base interactions energy: -214.845
where: short stacking energy: -112.587
Base-Backbone interact. energy: -1.331
local terms energy: -116.650297
where:
bonds (distance) C4'-P energy: -28.535
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -23.187
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: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -172.688249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.688249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.688249 (E_RNA)
where:
Base-Base interactions energy: -87.470
where: short stacking energy: -64.989
Base-Backbone interact. energy: 2.940
local terms energy: -88.157819
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -149.118750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.118750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.118750 (E_RNA)
where:
Base-Base interactions energy: -57.772
where: short stacking energy: -55.439
Base-Backbone interact. energy: -1.244
local terms energy: -90.103009
where:
bonds (distance) C4'-P energy: -30.286
bonds (distance) P-C4' energy: -32.441
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: 3.479
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: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -594.507815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.507815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.507815 (E_RNA)
where:
Base-Base interactions energy: -423.797
where: short stacking energy: -177.407
Base-Backbone interact. energy: -0.295
local terms energy: -170.415751
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -51.667
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: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -540.717559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.717559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.717559 (E_RNA)
where:
Base-Base interactions energy: -361.729
where: short stacking energy: -176.940
Base-Backbone interact. energy: -0.414
local terms energy: -178.574438
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -32.926
flat angles C4'-P-C4' energy: -37.211
flat angles P-C4'-P energy: -29.162
tors. eta vs tors. theta energy: -51.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -571.927588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.927588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.927588 (E_RNA)
where:
Base-Base interactions energy: -394.465
where: short stacking energy: -186.112
Base-Backbone interact. energy: -0.350
local terms energy: -177.112619
where:
bonds (distance) C4'-P energy: -28.520
bonds (distance) P-C4' energy: -37.121
flat angles C4'-P-C4' energy: -36.046
flat angles P-C4'-P energy: -23.465
tors. eta vs tors. theta energy: -51.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -489.284566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.284566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.284566 (E_RNA)
where:
Base-Base interactions energy: -344.688
where: short stacking energy: -161.770
Base-Backbone interact. energy: -0.941
local terms energy: -143.655586
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -32.089
flat angles P-C4'-P energy: -20.759
tors. eta vs tors. theta energy: -43.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -470.923985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.923985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.923985 (E_RNA)
where:
Base-Base interactions energy: -341.254
where: short stacking energy: -177.060
Base-Backbone interact. energy: -0.560
local terms energy: -129.110265
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -43.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -444.981309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.981309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.981309 (E_RNA)
where:
Base-Base interactions energy: -296.823
where: short stacking energy: -132.479
Base-Backbone interact. energy: -0.628
local terms energy: -147.530692
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -27.445
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -25.159
tors. eta vs tors. theta energy: -35.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -335.391641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.391641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.391641 (E_RNA)
where:
Base-Base interactions energy: -210.309
where: short stacking energy: -125.518
Base-Backbone interact. energy: 0.140
local terms energy: -125.223065
where:
bonds (distance) C4'-P energy: -30.006
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -19.284
tors. eta vs tors. theta energy: -21.758
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: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -333.618091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.618091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.618091 (E_RNA)
where:
Base-Base interactions energy: -189.204
where: short stacking energy: -87.053
Base-Backbone interact. energy: -0.379
local terms energy: -144.035096
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -30.522
flat angles C4'-P-C4' energy: -32.149
flat angles P-C4'-P energy: -28.178
tors. eta vs tors. theta energy: -18.303
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: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -173.688659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.688659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.688659 (E_RNA)
where:
Base-Base interactions energy: -77.207
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.821
local terms energy: -95.659888
where:
bonds (distance) C4'-P energy: -29.810
bonds (distance) P-C4' energy: -26.252
flat angles C4'-P-C4' energy: -27.423
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -158.025515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.025515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.025515 (E_RNA)
where:
Base-Base interactions energy: -44.464
where: short stacking energy: -43.240
Base-Backbone interact. energy: -0.180
local terms energy: -113.381099
where:
bonds (distance) C4'-P energy: -29.375
bonds (distance) P-C4' energy: -28.079
flat angles C4'-P-C4' energy: -28.895
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -598.445164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.445164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.445164 (E_RNA)
where:
Base-Base interactions energy: -414.277
where: short stacking energy: -191.350
Base-Backbone interact. energy: -0.509
local terms energy: -183.658584
where:
bonds (distance) C4'-P energy: -35.083
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -35.524
flat angles P-C4'-P energy: -28.317
tors. eta vs tors. theta energy: -51.376
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: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -591.289316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.289316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.289316 (E_RNA)
where:
Base-Base interactions energy: -421.658
where: short stacking energy: -180.722
Base-Backbone interact. energy: -0.891
local terms energy: -168.740208
where:
bonds (distance) C4'-P energy: -30.052
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -51.848
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: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -526.830988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.830988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.830988 (E_RNA)
where:
Base-Base interactions energy: -354.447
where: short stacking energy: -177.127
Base-Backbone interact. energy: -0.424
local terms energy: -171.960216
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -32.796
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -24.930
tors. eta vs tors. theta energy: -49.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -484.297768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.297768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.297768 (E_RNA)
where:
Base-Base interactions energy: -328.657
where: short stacking energy: -167.154
Base-Backbone interact. energy: -0.127
local terms energy: -155.513305
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -42.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -470.871831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.871831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.871831 (E_RNA)
where:
Base-Base interactions energy: -318.514
where: short stacking energy: -160.104
Base-Backbone interact. energy: -1.174
local terms energy: -151.183000
where:
bonds (distance) C4'-P energy: -28.426
bonds (distance) P-C4' energy: -29.958
flat angles C4'-P-C4' energy: -30.573
flat angles P-C4'-P energy: -24.287
tors. eta vs tors. theta energy: -37.939
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: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -465.752857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.752857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.752857 (E_RNA)
where:
Base-Base interactions energy: -300.998
where: short stacking energy: -136.464
Base-Backbone interact. energy: -0.125
local terms energy: -164.630328
where:
bonds (distance) C4'-P energy: -24.442
bonds (distance) P-C4' energy: -31.322
flat angles C4'-P-C4' energy: -34.006
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -46.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -311.849043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.849043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.849043 (E_RNA)
where:
Base-Base interactions energy: -180.019
where: short stacking energy: -102.490
Base-Backbone interact. energy: -1.188
local terms energy: -130.641241
where:
bonds (distance) C4'-P energy: -24.385
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -28.721
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -30.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -308.807186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.807186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.807186 (E_RNA)
where:
Base-Base interactions energy: -181.426
where: short stacking energy: -96.673
Base-Backbone interact. energy: -0.452
local terms energy: -126.929117
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -25.631
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: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -182.944783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.944783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.944783 (E_RNA)
where:
Base-Base interactions energy: -84.185
where: short stacking energy: -71.358
Base-Backbone interact. energy: -0.376
local terms energy: -98.383618
where:
bonds (distance) C4'-P energy: -27.151
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -6.810
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: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -151.021210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.021210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.021210 (E_RNA)
where:
Base-Base interactions energy: -67.760
where: short stacking energy: -66.073
Base-Backbone interact. energy: -1.255
local terms energy: -82.006095
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -26.357
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -581.234457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.234457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.234457 (E_RNA)
where:
Base-Base interactions energy: -396.068
where: short stacking energy: -188.265
Base-Backbone interact. energy: -0.070
local terms energy: -185.097164
where:
bonds (distance) C4'-P energy: -35.476
bonds (distance) P-C4' energy: -32.833
flat angles C4'-P-C4' energy: -38.770
flat angles P-C4'-P energy: -24.655
tors. eta vs tors. theta energy: -53.363
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: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -584.855341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.855341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.855341 (E_RNA)
where:
Base-Base interactions energy: -405.540
where: short stacking energy: -184.739
Base-Backbone interact. energy: -0.070
local terms energy: -179.244947
where:
bonds (distance) C4'-P energy: -33.473
bonds (distance) P-C4' energy: -26.730
flat angles C4'-P-C4' energy: -38.622
flat angles P-C4'-P energy: -28.184
tors. eta vs tors. theta energy: -52.237
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: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -529.554492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.554492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.554492 (E_RNA)
where:
Base-Base interactions energy: -360.960
where: short stacking energy: -173.305
Base-Backbone interact. energy: -0.550
local terms energy: -168.044504
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -26.891
flat angles C4'-P-C4' energy: -36.122
flat angles P-C4'-P energy: -25.490
tors. eta vs tors. theta energy: -47.961
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: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -495.458965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.458965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.458965 (E_RNA)
where:
Base-Base interactions energy: -335.043
where: short stacking energy: -152.285
Base-Backbone interact. energy: -0.549
local terms energy: -159.867291
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -33.577
flat angles P-C4'-P energy: -27.850
tors. eta vs tors. theta energy: -39.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -469.590802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.590802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.590802 (E_RNA)
where:
Base-Base interactions energy: -314.186
where: short stacking energy: -150.945
Base-Backbone interact. energy: -1.098
local terms energy: -154.306366
where:
bonds (distance) C4'-P energy: -32.393
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -31.271
flat angles P-C4'-P energy: -25.812
tors. eta vs tors. theta energy: -37.994
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: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -477.499222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.499222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.499222 (E_RNA)
where:
Base-Base interactions energy: -322.206
where: short stacking energy: -146.956
Base-Backbone interact. energy: -0.066
local terms energy: -155.228050
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -31.689
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -45.495
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: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -318.736086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.736086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.736086 (E_RNA)
where:
Base-Base interactions energy: -193.458
where: short stacking energy: -103.611
Base-Backbone interact. energy: -1.149
local terms energy: -124.128644
where:
bonds (distance) C4'-P energy: -29.368
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -22.584
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: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -270.227162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.227162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.227162 (E_RNA)
where:
Base-Base interactions energy: -150.705
where: short stacking energy: -96.551
Base-Backbone interact. energy: 0.309
local terms energy: -119.830863
where:
bonds (distance) C4'-P energy: -27.004
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -25.060
flat angles P-C4'-P energy: -25.769
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -184.107654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.107654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.107654 (E_RNA)
where:
Base-Base interactions energy: -91.131
where: short stacking energy: -63.020
Base-Backbone interact. energy: -1.196
local terms energy: -91.781079
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -23.687
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -162.440459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.440459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.440459 (E_RNA)
where:
Base-Base interactions energy: -62.183
where: short stacking energy: -49.447
Base-Backbone interact. energy: -0.314
local terms energy: -99.943696
where:
bonds (distance) C4'-P energy: -26.558
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -576.642042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.642042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.642042 (E_RNA)
where:
Base-Base interactions energy: -403.287
where: short stacking energy: -189.783
Base-Backbone interact. energy: -0.949
local terms energy: -172.405695
where:
bonds (distance) C4'-P energy: -32.927
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -37.432
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -50.282
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: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -571.307416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.307416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.307416 (E_RNA)
where:
Base-Base interactions energy: -391.898
where: short stacking energy: -178.560
Base-Backbone interact. energy: -0.220
local terms energy: -179.190025
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -33.878
flat angles C4'-P-C4' energy: -34.528
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: -50.667
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: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -528.292976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.292976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.292976 (E_RNA)
where:
Base-Base interactions energy: -356.294
where: short stacking energy: -172.179
Base-Backbone interact. energy: -0.061
local terms energy: -171.937922
where:
bonds (distance) C4'-P energy: -31.086
bonds (distance) P-C4' energy: -32.860
flat angles C4'-P-C4' energy: -33.456
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -49.582
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: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -494.435787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.435787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.435787 (E_RNA)
where:
Base-Base interactions energy: -328.493
where: short stacking energy: -155.625
Base-Backbone interact. energy: -0.935
local terms energy: -165.008179
where:
bonds (distance) C4'-P energy: -28.968
bonds (distance) P-C4' energy: -35.368
flat angles C4'-P-C4' energy: -35.133
flat angles P-C4'-P energy: -25.852
tors. eta vs tors. theta energy: -39.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -509.068472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.068472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.068472 (E_RNA)
where:
Base-Base interactions energy: -335.382
where: short stacking energy: -160.542
Base-Backbone interact. energy: -0.899
local terms energy: -172.787688
where:
bonds (distance) C4'-P energy: -31.684
bonds (distance) P-C4' energy: -31.641
flat angles C4'-P-C4' energy: -36.577
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: -46.857
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: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -465.786478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.786478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.786478 (E_RNA)
where:
Base-Base interactions energy: -322.039
where: short stacking energy: -142.155
Base-Backbone interact. energy: -0.215
local terms energy: -143.532057
where:
bonds (distance) C4'-P energy: -25.688
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -32.748
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -38.186
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: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -342.058062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.058062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.058062 (E_RNA)
where:
Base-Base interactions energy: -203.620
where: short stacking energy: -104.949
Base-Backbone interact. energy: -1.222
local terms energy: -137.216409
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -32.971
flat angles C4'-P-C4' energy: -30.102
flat angles P-C4'-P energy: -21.412
tors. eta vs tors. theta energy: -21.961
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: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -342.994849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.994849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.994849 (E_RNA)
where:
Base-Base interactions energy: -195.390
where: short stacking energy: -110.445
Base-Backbone interact. energy: -0.160
local terms energy: -147.443986
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -31.258
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -32.381
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: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -165.047660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.047660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.047660 (E_RNA)
where:
Base-Base interactions energy: -76.001
where: short stacking energy: -54.614
Base-Backbone interact. energy: 0.341
local terms energy: -89.387144
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -24.305
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -151.964690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.964690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.964690 (E_RNA)
where:
Base-Base interactions energy: -61.874
where: short stacking energy: -57.662
Base-Backbone interact. energy: -0.294
local terms energy: -89.796551
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -16.876
tors. eta vs tors. theta energy: -4.277
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: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -587.267828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.267828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.267828 (E_RNA)
where:
Base-Base interactions energy: -413.104
where: short stacking energy: -180.178
Base-Backbone interact. energy: -0.064
local terms energy: -174.099487
where:
bonds (distance) C4'-P energy: -28.669
bonds (distance) P-C4' energy: -33.814
flat angles C4'-P-C4' energy: -39.811
flat angles P-C4'-P energy: -23.069
tors. eta vs tors. theta energy: -48.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -570.084613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.084613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.084613 (E_RNA)
where:
Base-Base interactions energy: -392.108
where: short stacking energy: -173.486
Base-Backbone interact. energy: -0.198
local terms energy: -177.778885
where:
bonds (distance) C4'-P energy: -36.516
bonds (distance) P-C4' energy: -31.168
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -49.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -521.821400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.821400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.821400 (E_RNA)
where:
Base-Base interactions energy: -352.518
where: short stacking energy: -178.764
Base-Backbone interact. energy: 0.392
local terms energy: -169.695149
where:
bonds (distance) C4'-P energy: -30.908
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -33.142
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -50.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -506.766347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.766347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.766347 (E_RNA)
where:
Base-Base interactions energy: -351.576
where: short stacking energy: -156.900
Base-Backbone interact. energy: -1.277
local terms energy: -153.913302
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -26.787
flat angles C4'-P-C4' energy: -34.538
flat angles P-C4'-P energy: -28.852
tors. eta vs tors. theta energy: -44.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -469.861466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.861466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.861466 (E_RNA)
where:
Base-Base interactions energy: -307.755
where: short stacking energy: -156.697
Base-Backbone interact. energy: -0.053
local terms energy: -162.053349
where:
bonds (distance) C4'-P energy: -29.682
bonds (distance) P-C4' energy: -29.733
flat angles C4'-P-C4' energy: -33.926
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: -43.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -491.572271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.572271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.572271 (E_RNA)
where:
Base-Base interactions energy: -332.487
where: short stacking energy: -155.175
Base-Backbone interact. energy: -0.147
local terms energy: -158.938202
where:
bonds (distance) C4'-P energy: -34.603
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -36.654
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -41.857
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: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -349.679391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.679391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.679391 (E_RNA)
where:
Base-Base interactions energy: -219.698
where: short stacking energy: -112.333
Base-Backbone interact. energy: 0.047
local terms energy: -130.028811
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -29.940
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -28.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -309.133112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.133112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.133112 (E_RNA)
where:
Base-Base interactions energy: -188.792
where: short stacking energy: -100.718
Base-Backbone interact. energy: -2.814
local terms energy: -117.526598
where:
bonds (distance) C4'-P energy: -24.972
bonds (distance) P-C4' energy: -27.760
flat angles C4'-P-C4' energy: -29.571
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -161.804315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.804315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.804315 (E_RNA)
where:
Base-Base interactions energy: -61.376
where: short stacking energy: -57.536
Base-Backbone interact. energy: 0.068
local terms energy: -100.496323
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -30.541
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -159.346461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.346461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.346461 (E_RNA)
where:
Base-Base interactions energy: -49.681
where: short stacking energy: -46.530
Base-Backbone interact. energy: -1.659
local terms energy: -108.007178
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -27.107
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -4.260
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: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -588.283466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.283466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.283466 (E_RNA)
where:
Base-Base interactions energy: -417.912
where: short stacking energy: -189.627
Base-Backbone interact. energy: -1.245
local terms energy: -169.125689
where:
bonds (distance) C4'-P energy: -31.207
bonds (distance) P-C4' energy: -30.851
flat angles C4'-P-C4' energy: -39.047
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -51.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -575.052104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.052104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.052104 (E_RNA)
where:
Base-Base interactions energy: -395.352
where: short stacking energy: -184.074
Base-Backbone interact. energy: -1.410
local terms energy: -178.290655
where:
bonds (distance) C4'-P energy: -32.629
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -38.489
flat angles P-C4'-P energy: -23.649
tors. eta vs tors. theta energy: -51.724
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: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -513.986764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.986764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.986764 (E_RNA)
where:
Base-Base interactions energy: -346.549
where: short stacking energy: -170.718
Base-Backbone interact. energy: -0.157
local terms energy: -167.281081
where:
bonds (distance) C4'-P energy: -27.125
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -38.348
flat angles P-C4'-P energy: -21.301
tors. eta vs tors. theta energy: -51.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -513.301000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.301000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.301000 (E_RNA)
where:
Base-Base interactions energy: -357.503
where: short stacking energy: -166.799
Base-Backbone interact. energy: -0.686
local terms energy: -155.111474
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -29.217
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -42.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -467.754721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.754721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.754721 (E_RNA)
where:
Base-Base interactions energy: -314.543
where: short stacking energy: -147.379
Base-Backbone interact. energy: -0.512
local terms energy: -152.700061
where:
bonds (distance) C4'-P energy: -23.791
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -26.586
tors. eta vs tors. theta energy: -36.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -501.319944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.319944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.319944 (E_RNA)
where:
Base-Base interactions energy: -345.777
where: short stacking energy: -157.033
Base-Backbone interact. energy: 0.631
local terms energy: -156.173318
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -33.763
flat angles P-C4'-P energy: -19.536
tors. eta vs tors. theta energy: -44.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -347.833629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.833629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.833629 (E_RNA)
where:
Base-Base interactions energy: -227.761
where: short stacking energy: -124.599
Base-Backbone interact. energy: -0.329
local terms energy: -119.743838
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -24.734
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -29.290
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: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -308.939844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.939844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.939844 (E_RNA)
where:
Base-Base interactions energy: -185.541
where: short stacking energy: -100.869
Base-Backbone interact. energy: -0.211
local terms energy: -123.187756
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -35.717
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -16.135
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: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -175.478910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.478910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.478910 (E_RNA)
where:
Base-Base interactions energy: -80.333
where: short stacking energy: -70.857
Base-Backbone interact. energy: 0.841
local terms energy: -95.986579
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -22.754
tors. eta vs tors. theta energy: -5.127
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: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -164.873986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.873986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.873986 (E_RNA)
where:
Base-Base interactions energy: -65.295
where: short stacking energy: -48.608
Base-Backbone interact. energy: -0.102
local terms energy: -99.477022
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -33.851
flat angles C4'-P-C4' energy: -28.622
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: 1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -579.184106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.184106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.184106 (E_RNA)
where:
Base-Base interactions energy: -397.382
where: short stacking energy: -184.027
Base-Backbone interact. energy: -0.023
local terms energy: -181.779177
where:
bonds (distance) C4'-P energy: -30.978
bonds (distance) P-C4' energy: -32.531
flat angles C4'-P-C4' energy: -38.479
flat angles P-C4'-P energy: -27.572
tors. eta vs tors. theta energy: -52.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -580.525275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.525275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.525275 (E_RNA)
where:
Base-Base interactions energy: -397.927
where: short stacking energy: -175.341
Base-Backbone interact. energy: -1.160
local terms energy: -181.438464
where:
bonds (distance) C4'-P energy: -33.907
bonds (distance) P-C4' energy: -34.333
flat angles C4'-P-C4' energy: -38.471
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -52.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -528.562676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.562676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.562676 (E_RNA)
where:
Base-Base interactions energy: -363.735
where: short stacking energy: -168.016
Base-Backbone interact. energy: -0.997
local terms energy: -163.830367
where:
bonds (distance) C4'-P energy: -31.244
bonds (distance) P-C4' energy: -24.341
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -29.332
tors. eta vs tors. theta energy: -42.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -508.019083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.019083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.019083 (E_RNA)
where:
Base-Base interactions energy: -347.699
where: short stacking energy: -175.843
Base-Backbone interact. energy: -0.014
local terms energy: -160.305995
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -34.681
flat angles P-C4'-P energy: -25.649
tors. eta vs tors. theta energy: -51.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -495.918389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.918389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.918389 (E_RNA)
where:
Base-Base interactions energy: -340.999
where: short stacking energy: -158.748
Base-Backbone interact. energy: -1.657
local terms energy: -153.262134
where:
bonds (distance) C4'-P energy: -29.216
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -29.502
flat angles P-C4'-P energy: -21.293
tors. eta vs tors. theta energy: -47.397
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: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -465.830703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.830703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.830703 (E_RNA)
where:
Base-Base interactions energy: -312.991
where: short stacking energy: -151.297
Base-Backbone interact. energy: 0.256
local terms energy: -153.095865
where:
bonds (distance) C4'-P energy: -24.940
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -31.774
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -43.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -355.647743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.647743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.647743 (E_RNA)
where:
Base-Base interactions energy: -231.595
where: short stacking energy: -116.808
Base-Backbone interact. energy: -1.615
local terms energy: -122.437241
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -36.440
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -24.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -298.388230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.388230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.388230 (E_RNA)
where:
Base-Base interactions energy: -171.569
where: short stacking energy: -87.839
Base-Backbone interact. energy: -1.481
local terms energy: -125.338134
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -28.876
flat angles C4'-P-C4' energy: -26.914
flat angles P-C4'-P energy: -22.921
tors. eta vs tors. theta energy: -24.584
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: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -169.443453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.443453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.443453 (E_RNA)
where:
Base-Base interactions energy: -69.635
where: short stacking energy: -48.004
Base-Backbone interact. energy: -0.642
local terms energy: -99.166623
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -28.512
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -145.605465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.605465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.605465 (E_RNA)
where:
Base-Base interactions energy: -49.095
where: short stacking energy: -42.207
Base-Backbone interact. energy: -1.734
local terms energy: -94.776820
where:
bonds (distance) C4'-P energy: -24.948
bonds (distance) P-C4' energy: -32.076
flat angles C4'-P-C4' energy: -28.831
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: 1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -575.687251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.687251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.687251 (E_RNA)
where:
Base-Base interactions energy: -409.688
where: short stacking energy: -192.598
Base-Backbone interact. energy: -0.160
local terms energy: -165.838847
where:
bonds (distance) C4'-P energy: -25.625
bonds (distance) P-C4' energy: -28.266
flat angles C4'-P-C4' energy: -36.716
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: -50.774
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: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -568.763111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.763111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.763111 (E_RNA)
where:
Base-Base interactions energy: -399.243
where: short stacking energy: -190.182
Base-Backbone interact. energy: 0.730
local terms energy: -170.249981
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -28.573
flat angles C4'-P-C4' energy: -37.847
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: -49.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -519.042770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.042770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.042770 (E_RNA)
where:
Base-Base interactions energy: -362.836
where: short stacking energy: -166.208
Base-Backbone interact. energy: -0.592
local terms energy: -155.614893
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -39.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -527.592095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.592095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.592095 (E_RNA)
where:
Base-Base interactions energy: -361.749
where: short stacking energy: -167.088
Base-Backbone interact. energy: -0.591
local terms energy: -165.251635
where:
bonds (distance) C4'-P energy: -28.088
bonds (distance) P-C4' energy: -39.752
flat angles C4'-P-C4' energy: -31.103
flat angles P-C4'-P energy: -25.190
tors. eta vs tors. theta energy: -41.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -515.023471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.023471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.023471 (E_RNA)
where:
Base-Base interactions energy: -346.713
where: short stacking energy: -168.994
Base-Backbone interact. energy: -0.657
local terms energy: -167.653215
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -32.070
flat angles C4'-P-C4' energy: -32.351
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -52.268
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: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -470.412005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.412005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.412005 (E_RNA)
where:
Base-Base interactions energy: -315.061
where: short stacking energy: -152.000
Base-Backbone interact. energy: -0.433
local terms energy: -154.918066
where:
bonds (distance) C4'-P energy: -30.661
bonds (distance) P-C4' energy: -31.071
flat angles C4'-P-C4' energy: -28.473
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: -42.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -333.051819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.051819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.051819 (E_RNA)
where:
Base-Base interactions energy: -208.741
where: short stacking energy: -111.713
Base-Backbone interact. energy: -0.292
local terms energy: -124.019246
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -29.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -320.285498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.285498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.285498 (E_RNA)
where:
Base-Base interactions energy: -189.042
where: short stacking energy: -112.441
Base-Backbone interact. energy: -0.151
local terms energy: -131.093059
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -26.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -201.203400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.203400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.203400 (E_RNA)
where:
Base-Base interactions energy: -84.770
where: short stacking energy: -83.584
Base-Backbone interact. energy: -0.106
local terms energy: -116.327319
where:
bonds (distance) C4'-P energy: -29.237
bonds (distance) P-C4' energy: -34.135
flat angles C4'-P-C4' energy: -25.200
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -14.504
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: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -175.356868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.356868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.356868 (E_RNA)
where:
Base-Base interactions energy: -84.678
where: short stacking energy: -68.814
Base-Backbone interact. energy: -0.350
local terms energy: -90.328896
where:
bonds (distance) C4'-P energy: -24.856
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -582.699837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.699837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.699837 (E_RNA)
where:
Base-Base interactions energy: -405.440
where: short stacking energy: -181.592
Base-Backbone interact. energy: -0.539
local terms energy: -176.720495
where:
bonds (distance) C4'-P energy: -30.872
bonds (distance) P-C4' energy: -29.406
flat angles C4'-P-C4' energy: -39.711
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -49.985
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: 2, replica: 8
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -582.198689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.198689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.198689 (E_RNA)
where:
Base-Base interactions energy: -399.541
where: short stacking energy: -181.533
Base-Backbone interact. energy: -0.668
local terms energy: -181.988824
where:
bonds (distance) C4'-P energy: -33.647
bonds (distance) P-C4' energy: -26.902
flat angles C4'-P-C4' energy: -41.209
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: -54.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -517.606149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.606149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.606149 (E_RNA)
where:
Base-Base interactions energy: -357.988
where: short stacking energy: -166.171
Base-Backbone interact. energy: -0.286
local terms energy: -159.332884
where:
bonds (distance) C4'-P energy: -33.145
bonds (distance) P-C4' energy: -25.827
flat angles C4'-P-C4' energy: -31.090
flat angles P-C4'-P energy: -26.235
tors. eta vs tors. theta energy: -43.035
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: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -529.243523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.243523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.243523 (E_RNA)
where:
Base-Base interactions energy: -358.491
where: short stacking energy: -167.871
Base-Backbone interact. energy: -0.514
local terms energy: -170.238564
where:
bonds (distance) C4'-P energy: -31.457
bonds (distance) P-C4' energy: -33.677
flat angles C4'-P-C4' energy: -35.000
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -45.337
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: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -509.924314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.924314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.924314 (E_RNA)
where:
Base-Base interactions energy: -342.676
where: short stacking energy: -165.675
Base-Backbone interact. energy: -0.860
local terms energy: -166.388803
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -29.718
flat angles C4'-P-C4' energy: -35.534
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -54.204
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: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -469.264106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.264106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.264106 (E_RNA)
where:
Base-Base interactions energy: -320.498
where: short stacking energy: -157.941
Base-Backbone interact. energy: -0.064
local terms energy: -148.702110
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -30.535
flat angles P-C4'-P energy: -24.492
tors. eta vs tors. theta energy: -43.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -327.958316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.958316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.958316 (E_RNA)
where:
Base-Base interactions energy: -208.717
where: short stacking energy: -95.282
Base-Backbone interact. energy: -0.690
local terms energy: -118.551312
where:
bonds (distance) C4'-P energy: -31.120
bonds (distance) P-C4' energy: -37.276
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -11.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -351.160637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.160637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.160637 (E_RNA)
where:
Base-Base interactions energy: -223.119
where: short stacking energy: -107.556
Base-Backbone interact. energy: -0.787
local terms energy: -127.254803
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -30.765
flat angles C4'-P-C4' energy: -32.069
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -22.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -177.225132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.225132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.225132 (E_RNA)
where:
Base-Base interactions energy: -74.369
where: short stacking energy: -66.606
Base-Backbone interact. energy: -0.845
local terms energy: -102.011628
where:
bonds (distance) C4'-P energy: -30.417
bonds (distance) P-C4' energy: -27.277
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -4.061
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: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -149.151836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.151836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.151836 (E_RNA)
where:
Base-Base interactions energy: -60.156
where: short stacking energy: -26.057
Base-Backbone interact. energy: 3.673
local terms energy: -92.668918
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: 8.299
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: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -580.120544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.120544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.120544 (E_RNA)
where:
Base-Base interactions energy: -402.336
where: short stacking energy: -187.550
Base-Backbone interact. energy: -0.077
local terms energy: -177.707974
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -36.359
flat angles C4'-P-C4' energy: -35.247
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -51.496
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: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -572.330657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.330657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.330657 (E_RNA)
where:
Base-Base interactions energy: -396.612
where: short stacking energy: -171.763
Base-Backbone interact. energy: -0.026
local terms energy: -175.692298
where:
bonds (distance) C4'-P energy: -36.441
bonds (distance) P-C4' energy: -30.780
flat angles C4'-P-C4' energy: -37.036
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: -48.823
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: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -517.799214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.799214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.799214 (E_RNA)
where:
Base-Base interactions energy: -365.712
where: short stacking energy: -155.132
Base-Backbone interact. energy: -1.564
local terms energy: -150.523610
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -33.375
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -42.317
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: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -505.932618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.932618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.932618 (E_RNA)
where:
Base-Base interactions energy: -346.675
where: short stacking energy: -150.635
Base-Backbone interact. energy: -2.161
local terms energy: -157.096487
where:
bonds (distance) C4'-P energy: -27.655
bonds (distance) P-C4' energy: -27.848
flat angles C4'-P-C4' energy: -35.850
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -47.516
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: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -500.758363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.758363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.758363 (E_RNA)
where:
Base-Base interactions energy: -334.851
where: short stacking energy: -161.487
Base-Backbone interact. energy: -0.214
local terms energy: -165.694055
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -33.260
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -17.548
tors. eta vs tors. theta energy: -49.676
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: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -327.058965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.058965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.058965 (E_RNA)
where:
Base-Base interactions energy: -210.370
where: short stacking energy: -119.244
Base-Backbone interact. energy: -1.268
local terms energy: -115.420559
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -24.854
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: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -404.844916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.844916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.844916 (E_RNA)
where:
Base-Base interactions energy: -270.481
where: short stacking energy: -132.505
Base-Backbone interact. energy: -1.235
local terms energy: -133.129698
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -24.717
flat angles C4'-P-C4' energy: -28.956
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -30.200
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: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -332.538054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.538054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.538054 (E_RNA)
where:
Base-Base interactions energy: -198.003
where: short stacking energy: -124.664
Base-Backbone interact. energy: 0.371
local terms energy: -134.905971
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -32.078
flat angles C4'-P-C4' energy: -28.232
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -33.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -175.975608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.975608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.975608 (E_RNA)
where:
Base-Base interactions energy: -66.860
where: short stacking energy: -61.802
Base-Backbone interact. energy: -1.529
local terms energy: -107.585934
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -156.835926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.835926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.835926 (E_RNA)
where:
Base-Base interactions energy: -67.729
where: short stacking energy: -65.175
Base-Backbone interact. energy: 0.859
local terms energy: -89.965174
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -31.450
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -582.601923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.601923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.601923 (E_RNA)
where:
Base-Base interactions energy: -400.253
where: short stacking energy: -180.083
Base-Backbone interact. energy: -0.598
local terms energy: -181.750819
where:
bonds (distance) C4'-P energy: -32.788
bonds (distance) P-C4' energy: -34.528
flat angles C4'-P-C4' energy: -38.680
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: -50.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -564.621843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.621843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.621843 (E_RNA)
where:
Base-Base interactions energy: -394.093
where: short stacking energy: -182.856
Base-Backbone interact. energy: -0.032
local terms energy: -170.496828
where:
bonds (distance) C4'-P energy: -30.318
bonds (distance) P-C4' energy: -33.757
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -52.727
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: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -504.582559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.582559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.582559 (E_RNA)
where:
Base-Base interactions energy: -352.372
where: short stacking energy: -170.241
Base-Backbone interact. energy: -0.494
local terms energy: -151.716371
where:
bonds (distance) C4'-P energy: -28.377
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -31.018
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -43.714
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: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -495.433730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.433730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.433730 (E_RNA)
where:
Base-Base interactions energy: -341.922
where: short stacking energy: -151.922
Base-Backbone interact. energy: -1.206
local terms energy: -152.305849
where:
bonds (distance) C4'-P energy: -30.204
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -33.513
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -36.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -506.777435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.777435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.777435 (E_RNA)
where:
Base-Base interactions energy: -341.617
where: short stacking energy: -166.224
Base-Backbone interact. energy: -2.403
local terms energy: -162.757631
where:
bonds (distance) C4'-P energy: -28.720
bonds (distance) P-C4' energy: -24.785
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -29.596
tors. eta vs tors. theta energy: -47.186
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: 440
Temperature: 1.150000
Total energy: -344.664591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.664591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.664591 (E_RNA)
where:
Base-Base interactions energy: -218.245
where: short stacking energy: -125.458
Base-Backbone interact. energy: -1.162
local terms energy: -125.257448
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -27.308
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -21.027
tors. eta vs tors. theta energy: -25.933
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: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -417.282346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.282346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.282346 (E_RNA)
where:
Base-Base interactions energy: -275.333
where: short stacking energy: -120.644
Base-Backbone interact. energy: -0.248
local terms energy: -141.701452
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -30.030
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -31.794
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: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -346.443988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.443988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.443988 (E_RNA)
where:
Base-Base interactions energy: -220.386
where: short stacking energy: -123.076
Base-Backbone interact. energy: -0.342
local terms energy: -125.715851
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -29.788
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -24.118
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: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -179.618702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.618702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.618702 (E_RNA)
where:
Base-Base interactions energy: -78.760
where: short stacking energy: -44.777
Base-Backbone interact. energy: 0.874
local terms energy: -101.732072
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -171.413153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.413153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.413153 (E_RNA)
where:
Base-Base interactions energy: -65.363
where: short stacking energy: -51.258
Base-Backbone interact. energy: -0.696
local terms energy: -105.354427
where:
bonds (distance) C4'-P energy: -29.117
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -4.092
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: 441
Temperature: 0.900000
Total energy: -591.751301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.751301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.751301 (E_RNA)
where:
Base-Base interactions energy: -417.146
where: short stacking energy: -186.351
Base-Backbone interact. energy: -1.107
local terms energy: -173.498503
where:
bonds (distance) C4'-P energy: -30.441
bonds (distance) P-C4' energy: -26.260
flat angles C4'-P-C4' energy: -37.551
flat angles P-C4'-P energy: -26.902
tors. eta vs tors. theta energy: -52.345
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: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -582.906466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.906466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.906466 (E_RNA)
where:
Base-Base interactions energy: -395.897
where: short stacking energy: -182.829
Base-Backbone interact. energy: -0.584
local terms energy: -186.425390
where:
bonds (distance) C4'-P energy: -34.386
bonds (distance) P-C4' energy: -36.020
flat angles C4'-P-C4' energy: -37.297
flat angles P-C4'-P energy: -26.753
tors. eta vs tors. theta energy: -51.968
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: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -510.561062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.561062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.561062 (E_RNA)
where:
Base-Base interactions energy: -348.030
where: short stacking energy: -169.873
Base-Backbone interact. energy: -0.612
local terms energy: -161.919153
where:
bonds (distance) C4'-P energy: -27.149
bonds (distance) P-C4' energy: -31.416
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -43.534
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: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -508.349708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.349708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.349708 (E_RNA)
where:
Base-Base interactions energy: -346.973
where: short stacking energy: -155.756
Base-Backbone interact. energy: -0.932
local terms energy: -160.444402
where:
bonds (distance) C4'-P energy: -31.069
bonds (distance) P-C4' energy: -27.350
flat angles C4'-P-C4' energy: -31.741
flat angles P-C4'-P energy: -24.408
tors. eta vs tors. theta energy: -45.876
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: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -476.669860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.669860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.669860 (E_RNA)
where:
Base-Base interactions energy: -331.130
where: short stacking energy: -148.680
Base-Backbone interact. energy: 2.691
local terms energy: -148.231134
where:
bonds (distance) C4'-P energy: -27.979
bonds (distance) P-C4' energy: -31.071
flat angles C4'-P-C4' energy: -26.542
flat angles P-C4'-P energy: -24.996
tors. eta vs tors. theta energy: -37.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -426.125090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.125090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.125090 (E_RNA)
where:
Base-Base interactions energy: -287.106
where: short stacking energy: -132.161
Base-Backbone interact. energy: -0.582
local terms energy: -138.436914
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -25.689
flat angles C4'-P-C4' energy: -31.187
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -29.939
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: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -359.402249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.402249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.402249 (E_RNA)
where:
Base-Base interactions energy: -226.924
where: short stacking energy: -117.340
Base-Backbone interact. energy: -1.211
local terms energy: -131.266920
where:
bonds (distance) C4'-P energy: -27.109
bonds (distance) P-C4' energy: -27.650
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -30.515
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: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -349.274739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.274739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.274739 (E_RNA)
where:
Base-Base interactions energy: -230.467
where: short stacking energy: -113.512
Base-Backbone interact. energy: 0.327
local terms energy: -119.135078
where:
bonds (distance) C4'-P energy: -26.382
bonds (distance) P-C4' energy: -25.947
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -23.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -172.443751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.443751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.443751 (E_RNA)
where:
Base-Base interactions energy: -71.107
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.338
local terms energy: -100.998298
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -26.965
flat angles C4'-P-C4' energy: -26.861
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -5.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -166.822315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.822315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.822315 (E_RNA)
where:
Base-Base interactions energy: -88.536
where: short stacking energy: -69.822
Base-Backbone interact. energy: 0.378
local terms energy: -78.664463
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -25.917
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: 3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -584.558397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.558397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.558397 (E_RNA)
where:
Base-Base interactions energy: -409.090
where: short stacking energy: -183.187
Base-Backbone interact. energy: 0.027
local terms energy: -175.495165
where:
bonds (distance) C4'-P energy: -32.901
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -35.370
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -47.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -582.270824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.270824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.270824 (E_RNA)
where:
Base-Base interactions energy: -409.912
where: short stacking energy: -184.048
Base-Backbone interact. energy: -0.766
local terms energy: -171.592801
where:
bonds (distance) C4'-P energy: -30.066
bonds (distance) P-C4' energy: -31.159
flat angles C4'-P-C4' energy: -37.058
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -50.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -516.373621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.373621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.373621 (E_RNA)
where:
Base-Base interactions energy: -354.401
where: short stacking energy: -165.925
Base-Backbone interact. energy: -0.865
local terms energy: -161.107385
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -34.679
flat angles P-C4'-P energy: -28.083
tors. eta vs tors. theta energy: -41.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -505.028731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.028731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.028731 (E_RNA)
where:
Base-Base interactions energy: -340.809
where: short stacking energy: -160.730
Base-Backbone interact. energy: 0.203
local terms energy: -164.423095
where:
bonds (distance) C4'-P energy: -32.438
bonds (distance) P-C4' energy: -30.666
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -44.687
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: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -483.490484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.490484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.490484 (E_RNA)
where:
Base-Base interactions energy: -316.509
where: short stacking energy: -151.178
Base-Backbone interact. energy: 1.046
local terms energy: -168.027851
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -37.900
flat angles C4'-P-C4' energy: -38.520
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -40.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -464.601157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.601157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.601157 (E_RNA)
where:
Base-Base interactions energy: -310.526
where: short stacking energy: -134.704
Base-Backbone interact. energy: -1.521
local terms energy: -152.554011
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -28.192
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: -41.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -326.947153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.947153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.947153 (E_RNA)
where:
Base-Base interactions energy: -196.873
where: short stacking energy: -100.339
Base-Backbone interact. energy: 0.414
local terms energy: -130.488529
where:
bonds (distance) C4'-P energy: -29.619
bonds (distance) P-C4' energy: -36.029
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -26.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -344.319295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.319295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.319295 (E_RNA)
where:
Base-Base interactions energy: -217.363
where: short stacking energy: -111.386
Base-Backbone interact. energy: -0.756
local terms energy: -126.200306
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -24.981
flat angles C4'-P-C4' energy: -29.963
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -24.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -183.140563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.140563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.140563 (E_RNA)
where:
Base-Base interactions energy: -96.672
where: short stacking energy: -79.184
Base-Backbone interact. energy: -0.707
local terms energy: -85.761449
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -26.994
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -148.795169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.795169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.795169 (E_RNA)
where:
Base-Base interactions energy: -69.393
where: short stacking energy: -64.594
Base-Backbone interact. energy: -0.198
local terms energy: -79.204317
where:
bonds (distance) C4'-P energy: -25.143
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: 6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -583.536450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.536450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.536450 (E_RNA)
where:
Base-Base interactions energy: -399.914
where: short stacking energy: -190.414
Base-Backbone interact. energy: -0.132
local terms energy: -183.490722
where:
bonds (distance) C4'-P energy: -33.693
bonds (distance) P-C4' energy: -34.492
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -27.869
tors. eta vs tors. theta energy: -49.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -587.411324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.411324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.411324 (E_RNA)
where:
Base-Base interactions energy: -407.167
where: short stacking energy: -172.057
Base-Backbone interact. energy: -0.706
local terms energy: -179.538106
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -35.668
flat angles C4'-P-C4' energy: -37.833
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -52.292
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: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -513.494831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.494831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.494831 (E_RNA)
where:
Base-Base interactions energy: -353.384
where: short stacking energy: -171.854
Base-Backbone interact. energy: -0.115
local terms energy: -159.995654
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -37.568
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -50.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -516.550284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.550284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.550284 (E_RNA)
where:
Base-Base interactions energy: -348.147
where: short stacking energy: -165.199
Base-Backbone interact. energy: 1.806
local terms energy: -170.208953
where:
bonds (distance) C4'-P energy: -31.931
bonds (distance) P-C4' energy: -33.675
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -51.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -493.082444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.082444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.082444 (E_RNA)
where:
Base-Base interactions energy: -333.159
where: short stacking energy: -154.611
Base-Backbone interact. energy: -1.150
local terms energy: -158.773828
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -30.319
flat angles C4'-P-C4' energy: -35.475
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -45.804
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: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -442.925218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.925218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.925218 (E_RNA)
where:
Base-Base interactions energy: -302.947
where: short stacking energy: -133.007
Base-Backbone interact. energy: -0.358
local terms energy: -139.620192
where:
bonds (distance) C4'-P energy: -29.237
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -36.277
flat angles P-C4'-P energy: -26.955
tors. eta vs tors. theta energy: -35.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -346.126102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.126102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.126102 (E_RNA)
where:
Base-Base interactions energy: -223.158
where: short stacking energy: -116.376
Base-Backbone interact. energy: -0.461
local terms energy: -122.507306
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -36.251
flat angles C4'-P-C4' energy: -26.579
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -24.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -303.889852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.889852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.889852 (E_RNA)
where:
Base-Base interactions energy: -192.360
where: short stacking energy: -95.356
Base-Backbone interact. energy: 0.511
local terms energy: -112.041280
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -167.985120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.985120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.985120 (E_RNA)
where:
Base-Base interactions energy: -75.459
where: short stacking energy: -51.827
Base-Backbone interact. energy: -1.133
local terms energy: -91.393235
where:
bonds (distance) C4'-P energy: -27.614
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -29.274
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -177.602813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.602813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.602813 (E_RNA)
where:
Base-Base interactions energy: -68.432
where: short stacking energy: -61.090
Base-Backbone interact. energy: -0.295
local terms energy: -108.875644
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -12.078
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: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -591.933800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.933800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.933800 (E_RNA)
where:
Base-Base interactions energy: -406.621
where: short stacking energy: -183.019
Base-Backbone interact. energy: -0.292
local terms energy: -185.019931
where:
bonds (distance) C4'-P energy: -31.008
bonds (distance) P-C4' energy: -37.780
flat angles C4'-P-C4' energy: -38.132
flat angles P-C4'-P energy: -26.863
tors. eta vs tors. theta energy: -51.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -581.013849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.013849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.013849 (E_RNA)
where:
Base-Base interactions energy: -406.069
where: short stacking energy: -175.763
Base-Backbone interact. energy: -0.177
local terms energy: -174.767703
where:
bonds (distance) C4'-P energy: -31.362
bonds (distance) P-C4' energy: -31.757
flat angles C4'-P-C4' energy: -33.820
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -50.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -532.395302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.395302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.395302 (E_RNA)
where:
Base-Base interactions energy: -372.430
where: short stacking energy: -180.372
Base-Backbone interact. energy: -1.815
local terms energy: -158.149870
where:
bonds (distance) C4'-P energy: -26.443
bonds (distance) P-C4' energy: -27.317
flat angles C4'-P-C4' energy: -32.132
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: -52.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -493.530346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.530346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.530346 (E_RNA)
where:
Base-Base interactions energy: -328.547
where: short stacking energy: -161.173
Base-Backbone interact. energy: -0.856
local terms energy: -164.127130
where:
bonds (distance) C4'-P energy: -33.757
bonds (distance) P-C4' energy: -33.028
flat angles C4'-P-C4' energy: -32.809
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -41.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -511.137467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.137467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.137467 (E_RNA)
where:
Base-Base interactions energy: -349.136
where: short stacking energy: -158.589
Base-Backbone interact. energy: -0.402
local terms energy: -161.598670
where:
bonds (distance) C4'-P energy: -32.106
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -37.497
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -43.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -426.418809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.418809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.418809 (E_RNA)
where:
Base-Base interactions energy: -285.304
where: short stacking energy: -132.424
Base-Backbone interact. energy: -1.313
local terms energy: -139.801793
where:
bonds (distance) C4'-P energy: -27.386
bonds (distance) P-C4' energy: -26.067
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -23.135
tors. eta vs tors. theta energy: -29.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -354.112676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.112676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.112676 (E_RNA)
where:
Base-Base interactions energy: -217.517
where: short stacking energy: -115.590
Base-Backbone interact. energy: -0.083
local terms energy: -136.512342
where:
bonds (distance) C4'-P energy: -37.393
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -34.837
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -19.806
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: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -284.468697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.468697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.468697 (E_RNA)
where:
Base-Base interactions energy: -163.525
where: short stacking energy: -103.225
Base-Backbone interact. energy: 0.651
local terms energy: -121.595096
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -33.453
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -20.824
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: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -172.375097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.375097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.375097 (E_RNA)
where:
Base-Base interactions energy: -73.064
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.471
local terms energy: -98.840870
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -35.185
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: 2.634
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: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -149.420274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.420274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.420274 (E_RNA)
where:
Base-Base interactions energy: -51.582
where: short stacking energy: -36.870
Base-Backbone interact. energy: -1.001
local terms energy: -96.836816
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -36.635
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: 4.704
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: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -593.409692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.409692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.409692 (E_RNA)
where:
Base-Base interactions energy: -423.135
where: short stacking energy: -190.770
Base-Backbone interact. energy: -0.012
local terms energy: -170.262945
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -38.330
flat angles P-C4'-P energy: -26.510
tors. eta vs tors. theta energy: -51.890
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: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -570.102075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.102075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.102075 (E_RNA)
where:
Base-Base interactions energy: -401.663
where: short stacking energy: -180.937
Base-Backbone interact. energy: -0.161
local terms energy: -168.277988
where:
bonds (distance) C4'-P energy: -29.468
bonds (distance) P-C4' energy: -28.325
flat angles C4'-P-C4' energy: -33.542
flat angles P-C4'-P energy: -29.695
tors. eta vs tors. theta energy: -47.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -532.125747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.125747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.125747 (E_RNA)
where:
Base-Base interactions energy: -362.810
where: short stacking energy: -177.105
Base-Backbone interact. energy: -1.669
local terms energy: -167.646985
where:
bonds (distance) C4'-P energy: -32.122
bonds (distance) P-C4' energy: -30.568
flat angles C4'-P-C4' energy: -35.606
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -49.548
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: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -535.537833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.537833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.537833 (E_RNA)
where:
Base-Base interactions energy: -359.735
where: short stacking energy: -172.826
Base-Backbone interact. energy: -0.621
local terms energy: -175.181495
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -31.527
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -22.288
tors. eta vs tors. theta energy: -50.542
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: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -504.168316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.168316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.168316 (E_RNA)
where:
Base-Base interactions energy: -344.358
where: short stacking energy: -163.462
Base-Backbone interact. energy: -0.669
local terms energy: -159.141667
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -33.179
flat angles C4'-P-C4' energy: -33.974
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -45.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -443.433553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.433553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.433553 (E_RNA)
where:
Base-Base interactions energy: -305.769
where: short stacking energy: -128.124
Base-Backbone interact. energy: -0.411
local terms energy: -137.252784
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -33.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -338.622622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.622622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.622622 (E_RNA)
where:
Base-Base interactions energy: -221.826
where: short stacking energy: -117.148
Base-Backbone interact. energy: -1.296
local terms energy: -115.501033
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -23.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -299.131814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.131814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.131814 (E_RNA)
where:
Base-Base interactions energy: -174.750
where: short stacking energy: -94.927
Base-Backbone interact. energy: -0.569
local terms energy: -123.812332
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -27.990
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -252.045280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.045280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.045280 (E_RNA)
where:
Base-Base interactions energy: -147.546
where: short stacking energy: -83.785
Base-Backbone interact. energy: -1.068
local terms energy: -103.430824
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -25.036
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -17.736
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -168.228010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.228010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.228010 (E_RNA)
where:
Base-Base interactions energy: -64.359
where: short stacking energy: -59.153
Base-Backbone interact. energy: 0.550
local terms energy: -104.419149
where:
bonds (distance) C4'-P energy: -26.404
bonds (distance) P-C4' energy: -28.172
flat angles C4'-P-C4' energy: -33.284
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -587.411274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.411274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.411274 (E_RNA)
where:
Base-Base interactions energy: -404.962
where: short stacking energy: -178.256
Base-Backbone interact. energy: -0.025
local terms energy: -182.423574
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -34.179
flat angles C4'-P-C4' energy: -36.366
flat angles P-C4'-P energy: -25.696
tors. eta vs tors. theta energy: -51.071
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: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -562.540116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.540116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.540116 (E_RNA)
where:
Base-Base interactions energy: -388.579
where: short stacking energy: -170.926
Base-Backbone interact. energy: -1.268
local terms energy: -172.693639
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -36.041
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -48.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -534.007154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.007154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.007154 (E_RNA)
where:
Base-Base interactions energy: -366.333
where: short stacking energy: -166.198
Base-Backbone interact. energy: -0.241
local terms energy: -167.433314
where:
bonds (distance) C4'-P energy: -28.025
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -34.527
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -50.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -525.360752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.360752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.360752 (E_RNA)
where:
Base-Base interactions energy: -361.886
where: short stacking energy: -176.934
Base-Backbone interact. energy: -0.167
local terms energy: -163.308104
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -36.103
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -54.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -482.011181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.011181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.011181 (E_RNA)
where:
Base-Base interactions energy: -324.258
where: short stacking energy: -158.912
Base-Backbone interact. energy: -1.830
local terms energy: -155.923227
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -34.686
flat angles P-C4'-P energy: -21.293
tors. eta vs tors. theta energy: -43.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -456.636024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.636024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.636024 (E_RNA)
where:
Base-Base interactions energy: -297.288
where: short stacking energy: -137.597
Base-Backbone interact. energy: -0.496
local terms energy: -158.851885
where:
bonds (distance) C4'-P energy: -27.063
bonds (distance) P-C4' energy: -32.065
flat angles C4'-P-C4' energy: -35.116
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -40.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -313.151857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.151857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.151857 (E_RNA)
where:
Base-Base interactions energy: -188.927
where: short stacking energy: -110.219
Base-Backbone interact. energy: 1.352
local terms energy: -125.576630
where:
bonds (distance) C4'-P energy: -27.619
bonds (distance) P-C4' energy: -24.857
flat angles C4'-P-C4' energy: -31.381
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -22.929
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: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -308.798271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.798271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.798271 (E_RNA)
where:
Base-Base interactions energy: -195.248
where: short stacking energy: -108.922
Base-Backbone interact. energy: -0.566
local terms energy: -112.985014
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -24.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -325.439614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.439614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.439614 (E_RNA)
where:
Base-Base interactions energy: -209.016
where: short stacking energy: -116.575
Base-Backbone interact. energy: -0.147
local terms energy: -116.277170
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -25.648
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -26.646
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: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -157.625174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.625174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.625174 (E_RNA)
where:
Base-Base interactions energy: -55.260
where: short stacking energy: -51.909
Base-Backbone interact. energy: -0.186
local terms energy: -102.178995
where:
bonds (distance) C4'-P energy: -30.136
bonds (distance) P-C4' energy: -26.394
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -594.902823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.902823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.902823 (E_RNA)
where:
Base-Base interactions energy: -416.554
where: short stacking energy: -189.398
Base-Backbone interact. energy: -0.140
local terms energy: -178.209095
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -40.962
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -53.742
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: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -567.319600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.319600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.319600 (E_RNA)
where:
Base-Base interactions energy: -397.919
where: short stacking energy: -180.816
Base-Backbone interact. energy: -0.460
local terms energy: -168.940874
where:
bonds (distance) C4'-P energy: -26.757
bonds (distance) P-C4' energy: -31.902
flat angles C4'-P-C4' energy: -38.503
flat angles P-C4'-P energy: -22.314
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -534.514137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.514137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.514137 (E_RNA)
where:
Base-Base interactions energy: -359.032
where: short stacking energy: -167.838
Base-Backbone interact. energy: -0.143
local terms energy: -175.339714
where:
bonds (distance) C4'-P energy: -33.122
bonds (distance) P-C4' energy: -28.324
flat angles C4'-P-C4' energy: -37.561
flat angles P-C4'-P energy: -29.642
tors. eta vs tors. theta energy: -46.691
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: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -507.149622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.149622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.149622 (E_RNA)
where:
Base-Base interactions energy: -351.032
where: short stacking energy: -158.381
Base-Backbone interact. energy: -0.738
local terms energy: -155.379939
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -27.371
flat angles C4'-P-C4' energy: -31.965
flat angles P-C4'-P energy: -21.870
tors. eta vs tors. theta energy: -48.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -494.722886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.722886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.722886 (E_RNA)
where:
Base-Base interactions energy: -329.911
where: short stacking energy: -159.251
Base-Backbone interact. energy: -0.303
local terms energy: -164.508452
where:
bonds (distance) C4'-P energy: -26.578
bonds (distance) P-C4' energy: -33.265
flat angles C4'-P-C4' energy: -34.856
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -47.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -437.879013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.879013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.879013 (E_RNA)
where:
Base-Base interactions energy: -287.360
where: short stacking energy: -135.546
Base-Backbone interact. energy: -0.826
local terms energy: -149.693475
where:
bonds (distance) C4'-P energy: -27.023
bonds (distance) P-C4' energy: -34.097
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -22.086
tors. eta vs tors. theta energy: -34.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -300.502840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.502840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.502840 (E_RNA)
where:
Base-Base interactions energy: -173.333
where: short stacking energy: -104.841
Base-Backbone interact. energy: -0.382
local terms energy: -126.787907
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -38.814
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -325.948340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.948340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.948340 (E_RNA)
where:
Base-Base interactions energy: -193.376
where: short stacking energy: -96.327
Base-Backbone interact. energy: -0.181
local terms energy: -132.391227
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -31.950
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -21.002
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: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -302.560767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.560767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.560767 (E_RNA)
where:
Base-Base interactions energy: -183.980
where: short stacking energy: -94.933
Base-Backbone interact. energy: -0.651
local terms energy: -117.929360
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -167.771323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.771323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.771323 (E_RNA)
where:
Base-Base interactions energy: -56.436
where: short stacking energy: -56.010
Base-Backbone interact. energy: -0.819
local terms energy: -110.516716
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -25.056
flat angles C4'-P-C4' energy: -33.754
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -6.256
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: 448
Temperature: 0.900000
Total energy: -586.956580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.956580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.956580 (E_RNA)
where:
Base-Base interactions energy: -412.461
where: short stacking energy: -188.006
Base-Backbone interact. energy: -0.310
local terms energy: -174.185421
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -33.048
flat angles C4'-P-C4' energy: -36.141
flat angles P-C4'-P energy: -30.828
tors. eta vs tors. theta energy: -48.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -572.273244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.273244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.273244 (E_RNA)
where:
Base-Base interactions energy: -390.018
where: short stacking energy: -179.688
Base-Backbone interact. energy: -0.079
local terms energy: -182.176681
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -36.768
flat angles P-C4'-P energy: -31.629
tors. eta vs tors. theta energy: -54.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -511.048269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.048269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.048269 (E_RNA)
where:
Base-Base interactions energy: -336.519
where: short stacking energy: -150.429
Base-Backbone interact. energy: -1.963
local terms energy: -172.566756
where:
bonds (distance) C4'-P energy: -29.891
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -36.839
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -47.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -538.035785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.035785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.035785 (E_RNA)
where:
Base-Base interactions energy: -363.152
where: short stacking energy: -178.943
Base-Backbone interact. energy: -2.177
local terms energy: -172.707104
where:
bonds (distance) C4'-P energy: -35.948
bonds (distance) P-C4' energy: -35.531
flat angles C4'-P-C4' energy: -31.663
flat angles P-C4'-P energy: -26.935
tors. eta vs tors. theta energy: -42.630
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: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -492.377443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.377443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.377443 (E_RNA)
where:
Base-Base interactions energy: -344.826
where: short stacking energy: -157.012
Base-Backbone interact. energy: 0.967
local terms energy: -148.517835
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -28.987
flat angles P-C4'-P energy: -21.727
tors. eta vs tors. theta energy: -43.862
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: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -429.215170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.215170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.215170 (E_RNA)
where:
Base-Base interactions energy: -282.613
where: short stacking energy: -145.817
Base-Backbone interact. energy: -0.654
local terms energy: -145.948085
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -35.892
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -39.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -355.567347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.567347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.567347 (E_RNA)
where:
Base-Base interactions energy: -226.305
where: short stacking energy: -128.114
Base-Backbone interact. energy: -1.734
local terms energy: -127.528926
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -32.655
flat angles C4'-P-C4' energy: -32.062
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -31.019
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: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -293.580211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.580211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.580211 (E_RNA)
where:
Base-Base interactions energy: -178.306
where: short stacking energy: -91.303
Base-Backbone interact. energy: -1.063
local terms energy: -114.210964
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -29.814
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -171.961791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.961791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.961791 (E_RNA)
where:
Base-Base interactions energy: -65.592
where: short stacking energy: -64.248
Base-Backbone interact. energy: -0.676
local terms energy: -105.693625
where:
bonds (distance) C4'-P energy: -27.548
bonds (distance) P-C4' energy: -31.339
flat angles C4'-P-C4' energy: -28.039
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -274.051889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.051889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.051889 (E_RNA)
where:
Base-Base interactions energy: -148.072
where: short stacking energy: -87.115
Base-Backbone interact. energy: -1.294
local terms energy: -124.685565
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -31.319
flat angles C4'-P-C4' energy: -30.098
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -12.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -589.771153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.771153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.771153 (E_RNA)
where:
Base-Base interactions energy: -409.201
where: short stacking energy: -189.519
Base-Backbone interact. energy: -0.106
local terms energy: -180.464171
where:
bonds (distance) C4'-P energy: -31.209
bonds (distance) P-C4' energy: -33.715
flat angles C4'-P-C4' energy: -38.985
flat angles P-C4'-P energy: -24.307
tors. eta vs tors. theta energy: -52.249
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: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -574.126811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.126811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.126811 (E_RNA)
where:
Base-Base interactions energy: -403.488
where: short stacking energy: -187.508
Base-Backbone interact. energy: -0.470
local terms energy: -170.168737
where:
bonds (distance) C4'-P energy: -30.479
bonds (distance) P-C4' energy: -32.050
flat angles C4'-P-C4' energy: -31.849
flat angles P-C4'-P energy: -26.895
tors. eta vs tors. theta energy: -48.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -523.527050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.527050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.527050 (E_RNA)
where:
Base-Base interactions energy: -360.687
where: short stacking energy: -169.603
Base-Backbone interact. energy: -0.885
local terms energy: -161.955065
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -33.751
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -49.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -529.559239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.559239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.559239 (E_RNA)
where:
Base-Base interactions energy: -368.615
where: short stacking energy: -168.934
Base-Backbone interact. energy: -1.169
local terms energy: -159.775137
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -30.933
flat angles C4'-P-C4' energy: -33.980
flat angles P-C4'-P energy: -23.540
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: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -502.023328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.023328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.023328 (E_RNA)
where:
Base-Base interactions energy: -336.974
where: short stacking energy: -153.261
Base-Backbone interact. energy: -0.894
local terms energy: -164.155610
where:
bonds (distance) C4'-P energy: -29.288
bonds (distance) P-C4' energy: -31.700
flat angles C4'-P-C4' energy: -33.549
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -47.324
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: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -432.692031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.692031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.692031 (E_RNA)
where:
Base-Base interactions energy: -286.565
where: short stacking energy: -147.104
Base-Backbone interact. energy: -1.049
local terms energy: -145.078200
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -34.386
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -39.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -341.131804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.131804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.131804 (E_RNA)
where:
Base-Base interactions energy: -205.445
where: short stacking energy: -106.053
Base-Backbone interact. energy: -1.230
local terms energy: -134.456669
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -29.018
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -32.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -298.519695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.519695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.519695 (E_RNA)
where:
Base-Base interactions energy: -182.433
where: short stacking energy: -97.613
Base-Backbone interact. energy: -2.011
local terms energy: -114.076372
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -27.526
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -172.804439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.804439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.804439 (E_RNA)
where:
Base-Base interactions energy: -79.652
where: short stacking energy: -66.872
Base-Backbone interact. energy: -0.859
local terms energy: -92.293285
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -5.043
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: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -222.604230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.604230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.604230 (E_RNA)
where:
Base-Base interactions energy: -134.414
where: short stacking energy: -82.097
Base-Backbone interact. energy: -0.529
local terms energy: -87.661324
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -583.288691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.288691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.288691 (E_RNA)
where:
Base-Base interactions energy: -396.224
where: short stacking energy: -175.336
Base-Backbone interact. energy: -0.606
local terms energy: -186.458480
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -33.356
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -26.788
tors. eta vs tors. theta energy: -51.679
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: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -572.124185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.124185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.124185 (E_RNA)
where:
Base-Base interactions energy: -393.574
where: short stacking energy: -180.177
Base-Backbone interact. energy: -1.193
local terms energy: -177.357382
where:
bonds (distance) C4'-P energy: -29.613
bonds (distance) P-C4' energy: -33.842
flat angles C4'-P-C4' energy: -39.302
flat angles P-C4'-P energy: -28.358
tors. eta vs tors. theta energy: -46.242
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: 3, replica: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -523.149242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.149242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.149242 (E_RNA)
where:
Base-Base interactions energy: -354.120
where: short stacking energy: -172.081
Base-Backbone interact. energy: -0.287
local terms energy: -168.742400
where:
bonds (distance) C4'-P energy: -30.362
bonds (distance) P-C4' energy: -29.283
flat angles C4'-P-C4' energy: -35.212
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -50.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -530.537440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.537440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.537440 (E_RNA)
where:
Base-Base interactions energy: -357.073
where: short stacking energy: -157.114
Base-Backbone interact. energy: -2.117
local terms energy: -171.346790
where:
bonds (distance) C4'-P energy: -31.415
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -35.347
flat angles P-C4'-P energy: -24.472
tors. eta vs tors. theta energy: -49.081
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: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -497.187508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.187508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.187508 (E_RNA)
where:
Base-Base interactions energy: -353.405
where: short stacking energy: -159.345
Base-Backbone interact. energy: -0.512
local terms energy: -143.270972
where:
bonds (distance) C4'-P energy: -23.959
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -33.963
flat angles P-C4'-P energy: -20.695
tors. eta vs tors. theta energy: -36.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -450.932835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.932835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.932835 (E_RNA)
where:
Base-Base interactions energy: -297.786
where: short stacking energy: -130.665
Base-Backbone interact. energy: -0.578
local terms energy: -152.568811
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -36.650
flat angles C4'-P-C4' energy: -33.476
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -36.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -340.114417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.114417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.114417 (E_RNA)
where:
Base-Base interactions energy: -203.501
where: short stacking energy: -114.947
Base-Backbone interact. energy: -0.702
local terms energy: -135.911455
where:
bonds (distance) C4'-P energy: -28.511
bonds (distance) P-C4' energy: -29.096
flat angles C4'-P-C4' energy: -33.349
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -27.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -304.569228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.569228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.569228 (E_RNA)
where:
Base-Base interactions energy: -190.877
where: short stacking energy: -97.055
Base-Backbone interact. energy: -1.083
local terms energy: -112.609489
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -21.859
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: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -231.934210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.934210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.934210 (E_RNA)
where:
Base-Base interactions energy: -129.271
where: short stacking energy: -81.723
Base-Backbone interact. energy: -0.249
local terms energy: -102.414603
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -27.458
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -20.367
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -193.165391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.165391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.165391 (E_RNA)
where:
Base-Base interactions energy: -101.541
where: short stacking energy: -65.020
Base-Backbone interact. energy: 0.416
local terms energy: -92.041241
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -32.753
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -7.938
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: 451
Temperature: 0.900000
Total energy: -584.649748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.649748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.649748 (E_RNA)
where:
Base-Base interactions energy: -407.873
where: short stacking energy: -185.103
Base-Backbone interact. energy: 1.367
local terms energy: -178.143350
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -33.079
flat angles C4'-P-C4' energy: -36.002
flat angles P-C4'-P energy: -27.586
tors. eta vs tors. theta energy: -54.099
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: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -569.015952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.015952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.015952 (E_RNA)
where:
Base-Base interactions energy: -397.374
where: short stacking energy: -173.367
Base-Backbone interact. energy: -1.029
local terms energy: -170.613375
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -32.282
flat angles C4'-P-C4' energy: -35.728
flat angles P-C4'-P energy: -27.921
tors. eta vs tors. theta energy: -47.708
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: 3, replica: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -523.011680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.011680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.011680 (E_RNA)
where:
Base-Base interactions energy: -368.164
where: short stacking energy: -159.135
Base-Backbone interact. energy: -0.369
local terms energy: -154.478897
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -26.465
tors. eta vs tors. theta energy: -43.013
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: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -500.440632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.440632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.440632 (E_RNA)
where:
Base-Base interactions energy: -349.524
where: short stacking energy: -164.764
Base-Backbone interact. energy: -0.023
local terms energy: -150.893058
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -27.533
flat angles C4'-P-C4' energy: -32.964
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -44.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -494.476015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.476015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.476015 (E_RNA)
where:
Base-Base interactions energy: -339.288
where: short stacking energy: -149.570
Base-Backbone interact. energy: -0.829
local terms energy: -154.359848
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -40.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -439.074958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.074958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.074958 (E_RNA)
where:
Base-Base interactions energy: -307.991
where: short stacking energy: -141.155
Base-Backbone interact. energy: -1.976
local terms energy: -129.107906
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -32.979
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -30.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -336.614891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.614891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.614891 (E_RNA)
where:
Base-Base interactions energy: -202.985
where: short stacking energy: -116.181
Base-Backbone interact. energy: -0.562
local terms energy: -133.068807
where:
bonds (distance) C4'-P energy: -31.042
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -24.797
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -26.101
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: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -279.635442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.635442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.635442 (E_RNA)
where:
Base-Base interactions energy: -164.975
where: short stacking energy: -95.521
Base-Backbone interact. energy: 3.269
local terms energy: -117.929791
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -32.243
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: -17.784
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: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -274.378337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.378337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.378337 (E_RNA)
where:
Base-Base interactions energy: -155.836
where: short stacking energy: -82.046
Base-Backbone interact. energy: -0.264
local terms energy: -118.278186
where:
bonds (distance) C4'-P energy: -31.083
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -7.782
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: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -147.679147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.679147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.679147 (E_RNA)
where:
Base-Base interactions energy: -63.483
where: short stacking energy: -63.483
Base-Backbone interact. energy: -0.880
local terms energy: -83.316105
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -5.186
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: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -581.002069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.002069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.002069 (E_RNA)
where:
Base-Base interactions energy: -410.557
where: short stacking energy: -181.059
Base-Backbone interact. energy: -0.026
local terms energy: -170.418652
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -34.148
flat angles P-C4'-P energy: -22.478
tors. eta vs tors. theta energy: -50.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -576.938256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.938256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.938256 (E_RNA)
where:
Base-Base interactions energy: -395.707
where: short stacking energy: -177.347
Base-Backbone interact. energy: -0.040
local terms energy: -181.191374
where:
bonds (distance) C4'-P energy: -33.533
bonds (distance) P-C4' energy: -36.814
flat angles C4'-P-C4' energy: -35.759
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -51.522
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: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -519.299882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.299882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.299882 (E_RNA)
where:
Base-Base interactions energy: -356.559
where: short stacking energy: -171.164
Base-Backbone interact. energy: 0.009
local terms energy: -162.749853
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -29.690
flat angles C4'-P-C4' energy: -35.928
flat angles P-C4'-P energy: -23.557
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: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -486.333334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.333334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.333334 (E_RNA)
where:
Base-Base interactions energy: -335.158
where: short stacking energy: -156.980
Base-Backbone interact. energy: -1.299
local terms energy: -149.877109
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -29.924
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -41.463
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: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -496.491990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.491990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.491990 (E_RNA)
where:
Base-Base interactions energy: -337.091
where: short stacking energy: -163.027
Base-Backbone interact. energy: -1.412
local terms energy: -157.989540
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -29.610
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -44.932
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: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -456.889624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.889624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.889624 (E_RNA)
where:
Base-Base interactions energy: -306.876
where: short stacking energy: -137.672
Base-Backbone interact. energy: -0.558
local terms energy: -149.455440
where:
bonds (distance) C4'-P energy: -28.595
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -32.764
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -41.315
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: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -339.271067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.271067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.271067 (E_RNA)
where:
Base-Base interactions energy: -216.184
where: short stacking energy: -113.229
Base-Backbone interact. energy: 0.128
local terms energy: -123.215337
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -31.465
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -25.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -309.939537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.939537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.939537 (E_RNA)
where:
Base-Base interactions energy: -176.765
where: short stacking energy: -97.005
Base-Backbone interact. energy: -0.161
local terms energy: -133.013859
where:
bonds (distance) C4'-P energy: -28.284
bonds (distance) P-C4' energy: -35.031
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -266.398059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.398059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.398059 (E_RNA)
where:
Base-Base interactions energy: -138.672
where: short stacking energy: -91.296
Base-Backbone interact. energy: -0.111
local terms energy: -127.614657
where:
bonds (distance) C4'-P energy: -29.684
bonds (distance) P-C4' energy: -33.787
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -152.115819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.115819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.115819 (E_RNA)
where:
Base-Base interactions energy: -58.648
where: short stacking energy: -44.073
Base-Backbone interact. energy: -0.242
local terms energy: -93.225610
where:
bonds (distance) C4'-P energy: -31.122
bonds (distance) P-C4' energy: -33.146
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -598.808172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.808172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.808172 (E_RNA)
where:
Base-Base interactions energy: -413.762
where: short stacking energy: -185.510
Base-Backbone interact. energy: -0.669
local terms energy: -184.376532
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -34.372
flat angles C4'-P-C4' energy: -39.464
flat angles P-C4'-P energy: -27.322
tors. eta vs tors. theta energy: -51.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -570.046586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.046586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.046586 (E_RNA)
where:
Base-Base interactions energy: -394.476
where: short stacking energy: -178.998
Base-Backbone interact. energy: -0.432
local terms energy: -175.138430
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -29.182
flat angles C4'-P-C4' energy: -39.653
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -48.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -514.926760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.926760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.926760 (E_RNA)
where:
Base-Base interactions energy: -340.967
where: short stacking energy: -161.355
Base-Backbone interact. energy: -0.103
local terms energy: -173.856970
where:
bonds (distance) C4'-P energy: -33.775
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -35.539
flat angles P-C4'-P energy: -28.332
tors. eta vs tors. theta energy: -47.137
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: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -514.580815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.580815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.580815 (E_RNA)
where:
Base-Base interactions energy: -355.485
where: short stacking energy: -175.607
Base-Backbone interact. energy: -0.897
local terms energy: -158.198292
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -34.530
flat angles P-C4'-P energy: -24.203
tors. eta vs tors. theta energy: -47.522
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: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -483.307659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.307659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.307659 (E_RNA)
where:
Base-Base interactions energy: -330.622
where: short stacking energy: -151.293
Base-Backbone interact. energy: -0.752
local terms energy: -151.933537
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -38.240
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -43.036
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: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -442.346025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.346025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.346025 (E_RNA)
where:
Base-Base interactions energy: -310.870
where: short stacking energy: -143.922
Base-Backbone interact. energy: -1.092
local terms energy: -130.383745
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -34.291
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -34.529
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: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -373.561461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.561461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.561461 (E_RNA)
where:
Base-Base interactions energy: -235.085
where: short stacking energy: -113.639
Base-Backbone interact. energy: -1.477
local terms energy: -136.999603
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -31.001
flat angles C4'-P-C4' energy: -31.950
flat angles P-C4'-P energy: -21.024
tors. eta vs tors. theta energy: -27.075
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: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -328.797789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.797789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.797789 (E_RNA)
where:
Base-Base interactions energy: -204.114
where: short stacking energy: -116.045
Base-Backbone interact. energy: -0.238
local terms energy: -124.445913
where:
bonds (distance) C4'-P energy: -28.761
bonds (distance) P-C4' energy: -31.296
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: -20.854
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: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -308.237728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.237728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.237728 (E_RNA)
where:
Base-Base interactions energy: -182.963
where: short stacking energy: -102.135
Base-Backbone interact. energy: -0.846
local terms energy: -124.429174
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -33.502
flat angles C4'-P-C4' energy: -29.480
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -17.233
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: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -164.676637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.676637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.676637 (E_RNA)
where:
Base-Base interactions energy: -58.534
where: short stacking energy: -53.037
Base-Backbone interact. energy: -0.790
local terms energy: -105.351954
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -7.200
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: 1
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -587.639660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.639660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.639660 (E_RNA)
where:
Base-Base interactions energy: -404.944
where: short stacking energy: -181.771
Base-Backbone interact. energy: -0.732
local terms energy: -181.963716
where:
bonds (distance) C4'-P energy: -31.976
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -35.033
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: -49.227
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: 454
Temperature: 0.950000
Total energy: -583.548380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.548380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.548380 (E_RNA)
where:
Base-Base interactions energy: -414.821
where: short stacking energy: -200.720
Base-Backbone interact. energy: 0.532
local terms energy: -169.259422
where:
bonds (distance) C4'-P energy: -28.001
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -37.614
flat angles P-C4'-P energy: -25.997
tors. eta vs tors. theta energy: -52.539
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: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -535.755856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.755856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.755856 (E_RNA)
where:
Base-Base interactions energy: -366.742
where: short stacking energy: -182.262
Base-Backbone interact. energy: -1.392
local terms energy: -167.621580
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -31.571
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -24.010
tors. eta vs tors. theta energy: -49.240
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: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -504.511052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.511052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.511052 (E_RNA)
where:
Base-Base interactions energy: -335.642
where: short stacking energy: -155.410
Base-Backbone interact. energy: -0.399
local terms energy: -168.469990
where:
bonds (distance) C4'-P energy: -28.268
bonds (distance) P-C4' energy: -36.200
flat angles C4'-P-C4' energy: -34.879
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -45.375
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: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -489.140243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.140243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.140243 (E_RNA)
where:
Base-Base interactions energy: -338.689
where: short stacking energy: -156.640
Base-Backbone interact. energy: -0.622
local terms energy: -149.829434
where:
bonds (distance) C4'-P energy: -25.131
bonds (distance) P-C4' energy: -32.818
flat angles C4'-P-C4' energy: -30.794
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -41.473
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: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -451.680123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.680123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.680123 (E_RNA)
where:
Base-Base interactions energy: -299.817
where: short stacking energy: -145.496
Base-Backbone interact. energy: -1.183
local terms energy: -150.679780
where:
bonds (distance) C4'-P energy: -32.983
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -32.919
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -41.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -342.773938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.773938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.773938 (E_RNA)
where:
Base-Base interactions energy: -217.783
where: short stacking energy: -137.902
Base-Backbone interact. energy: -0.067
local terms energy: -124.924217
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -26.391
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -27.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -330.065084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.065084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.065084 (E_RNA)
where:
Base-Base interactions energy: -214.071
where: short stacking energy: -97.494
Base-Backbone interact. energy: -0.340
local terms energy: -115.653860
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -24.910
flat angles C4'-P-C4' energy: -34.951
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -23.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -172.937384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.937384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.937384 (E_RNA)
where:
Base-Base interactions energy: -72.061
where: short stacking energy: -64.568
Base-Backbone interact. energy: -0.048
local terms energy: -100.829163
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -33.091
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -16.724
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: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -268.177415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.177415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.177415 (E_RNA)
where:
Base-Base interactions energy: -160.917
where: short stacking energy: -69.865
Base-Backbone interact. energy: -0.785
local terms energy: -106.475974
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -14.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -584.790884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.790884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.790884 (E_RNA)
where:
Base-Base interactions energy: -405.676
where: short stacking energy: -181.401
Base-Backbone interact. energy: -0.092
local terms energy: -179.022485
where:
bonds (distance) C4'-P energy: -33.087
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -35.855
flat angles P-C4'-P energy: -26.434
tors. eta vs tors. theta energy: -49.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -580.709758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.709758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.709758 (E_RNA)
where:
Base-Base interactions energy: -400.442
where: short stacking energy: -182.177
Base-Backbone interact. energy: -0.580
local terms energy: -179.687478
where:
bonds (distance) C4'-P energy: -32.714
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -35.321
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: -53.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -536.375016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.375016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.375016 (E_RNA)
where:
Base-Base interactions energy: -358.986
where: short stacking energy: -171.260
Base-Backbone interact. energy: -0.152
local terms energy: -177.236768
where:
bonds (distance) C4'-P energy: -33.684
bonds (distance) P-C4' energy: -34.274
flat angles C4'-P-C4' energy: -33.898
flat angles P-C4'-P energy: -25.915
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -493.255741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.255741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.255741 (E_RNA)
where:
Base-Base interactions energy: -336.763
where: short stacking energy: -156.326
Base-Backbone interact. energy: -0.329
local terms energy: -156.164023
where:
bonds (distance) C4'-P energy: -26.748
bonds (distance) P-C4' energy: -29.875
flat angles C4'-P-C4' energy: -28.377
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: -47.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -492.146564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.146564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.146564 (E_RNA)
where:
Base-Base interactions energy: -335.615
where: short stacking energy: -160.100
Base-Backbone interact. energy: -0.100
local terms energy: -156.431648
where:
bonds (distance) C4'-P energy: -27.746
bonds (distance) P-C4' energy: -28.761
flat angles C4'-P-C4' energy: -31.288
flat angles P-C4'-P energy: -28.244
tors. eta vs tors. theta energy: -40.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -433.854222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.854222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.854222 (E_RNA)
where:
Base-Base interactions energy: -295.809
where: short stacking energy: -132.489
Base-Backbone interact. energy: 0.329
local terms energy: -138.374888
where:
bonds (distance) C4'-P energy: -30.273
bonds (distance) P-C4' energy: -31.134
flat angles C4'-P-C4' energy: -28.517
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -22.400
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: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -348.345910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.345910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.345910 (E_RNA)
where:
Base-Base interactions energy: -215.120
where: short stacking energy: -116.126
Base-Backbone interact. energy: -1.016
local terms energy: -132.210608
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -26.297
flat angles C4'-P-C4' energy: -31.994
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -27.459
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: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -314.920602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.920602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.920602 (E_RNA)
where:
Base-Base interactions energy: -189.074
where: short stacking energy: -112.198
Base-Backbone interact. energy: -0.551
local terms energy: -125.295472
where:
bonds (distance) C4'-P energy: -24.613
bonds (distance) P-C4' energy: -28.490
flat angles C4'-P-C4' energy: -26.786
flat angles P-C4'-P energy: -21.508
tors. eta vs tors. theta energy: -23.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -169.302333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.302333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.302333 (E_RNA)
where:
Base-Base interactions energy: -72.453
where: short stacking energy: -71.966
Base-Backbone interact. energy: 4.094
local terms energy: -100.943675
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -315.241989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.241989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.241989 (E_RNA)
where:
Base-Base interactions energy: -190.704
where: short stacking energy: -106.114
Base-Backbone interact. energy: -0.197
local terms energy: -124.341665
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -22.118
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -579.592400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.592400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.592400 (E_RNA)
where:
Base-Base interactions energy: -400.164
where: short stacking energy: -182.315
Base-Backbone interact. energy: -0.061
local terms energy: -179.367014
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -38.253
flat angles P-C4'-P energy: -27.993
tors. eta vs tors. theta energy: -51.224
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: 2, replica: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -579.782252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.782252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.782252 (E_RNA)
where:
Base-Base interactions energy: -416.126
where: short stacking energy: -182.518
Base-Backbone interact. energy: -0.608
local terms energy: -163.048728
where:
bonds (distance) C4'-P energy: -29.303
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -36.709
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -47.166
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: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -526.229182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.229182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.229182 (E_RNA)
where:
Base-Base interactions energy: -369.697
where: short stacking energy: -184.355
Base-Backbone interact. energy: -0.370
local terms energy: -156.162794
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -32.770
flat angles P-C4'-P energy: -22.153
tors. eta vs tors. theta energy: -50.076
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: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -507.817545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.817545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.817545 (E_RNA)
where:
Base-Base interactions energy: -344.867
where: short stacking energy: -159.088
Base-Backbone interact. energy: -1.148
local terms energy: -161.802292
where:
bonds (distance) C4'-P energy: -34.154
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -34.269
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: -43.537
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: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -508.868335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.868335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.868335 (E_RNA)
where:
Base-Base interactions energy: -341.280
where: short stacking energy: -157.284
Base-Backbone interact. energy: -0.631
local terms energy: -166.957031
where:
bonds (distance) C4'-P energy: -28.058
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -37.390
flat angles P-C4'-P energy: -27.178
tors. eta vs tors. theta energy: -44.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -445.040648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.040648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.040648 (E_RNA)
where:
Base-Base interactions energy: -300.212
where: short stacking energy: -150.274
Base-Backbone interact. energy: -0.298
local terms energy: -144.530881
where:
bonds (distance) C4'-P energy: -31.792
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -21.512
tors. eta vs tors. theta energy: -36.302
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: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -349.222118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.222118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.222118 (E_RNA)
where:
Base-Base interactions energy: -222.984
where: short stacking energy: -127.503
Base-Backbone interact. energy: -0.106
local terms energy: -126.132201
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -29.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -293.443355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.443355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.443355 (E_RNA)
where:
Base-Base interactions energy: -176.346
where: short stacking energy: -84.399
Base-Backbone interact. energy: -0.875
local terms energy: -116.221627
where:
bonds (distance) C4'-P energy: -26.616
bonds (distance) P-C4' energy: -30.727
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -19.100
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: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -252.471586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.471586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.471586 (E_RNA)
where:
Base-Base interactions energy: -148.312
where: short stacking energy: -70.141
Base-Backbone interact. energy: -0.379
local terms energy: -103.780506
where:
bonds (distance) C4'-P energy: -26.819
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -11.037
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: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -158.999380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.999380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.999380 (E_RNA)
where:
Base-Base interactions energy: -68.044
where: short stacking energy: -53.604
Base-Backbone interact. energy: 5.804
local terms energy: -96.758619
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -28.206
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -8.261
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: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -588.460684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.460684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.460684 (E_RNA)
where:
Base-Base interactions energy: -398.406
where: short stacking energy: -186.175
Base-Backbone interact. energy: -0.603
local terms energy: -189.451107
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -37.026
flat angles C4'-P-C4' energy: -37.290
flat angles P-C4'-P energy: -29.568
tors. eta vs tors. theta energy: -53.483
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: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -580.800287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.800287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.800287 (E_RNA)
where:
Base-Base interactions energy: -401.316
where: short stacking energy: -174.329
Base-Backbone interact. energy: -0.843
local terms energy: -178.640924
where:
bonds (distance) C4'-P energy: -25.180
bonds (distance) P-C4' energy: -35.857
flat angles C4'-P-C4' energy: -39.496
flat angles P-C4'-P energy: -28.123
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: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -526.844569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.844569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.844569 (E_RNA)
where:
Base-Base interactions energy: -360.512
where: short stacking energy: -172.855
Base-Backbone interact. energy: -0.760
local terms energy: -165.572902
where:
bonds (distance) C4'-P energy: -29.199
bonds (distance) P-C4' energy: -36.234
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -50.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -504.983497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.983497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.983497 (E_RNA)
where:
Base-Base interactions energy: -336.771
where: short stacking energy: -156.519
Base-Backbone interact. energy: -0.116
local terms energy: -168.096366
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -32.042
flat angles C4'-P-C4' energy: -32.802
flat angles P-C4'-P energy: -26.552
tors. eta vs tors. theta energy: -44.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -508.740914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.740914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.740914 (E_RNA)
where:
Base-Base interactions energy: -342.699
where: short stacking energy: -152.751
Base-Backbone interact. energy: -1.615
local terms energy: -164.426679
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -30.315
flat angles C4'-P-C4' energy: -37.872
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -47.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -456.930853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.930853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.930853 (E_RNA)
where:
Base-Base interactions energy: -316.290
where: short stacking energy: -147.540
Base-Backbone interact. energy: -0.510
local terms energy: -140.131255
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: -40.626
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: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -331.222144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.222144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.222144 (E_RNA)
where:
Base-Base interactions energy: -209.566
where: short stacking energy: -110.615
Base-Backbone interact. energy: -0.734
local terms energy: -120.921638
where:
bonds (distance) C4'-P energy: -28.768
bonds (distance) P-C4' energy: -32.373
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -282.285838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.285838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.285838 (E_RNA)
where:
Base-Base interactions energy: -173.763
where: short stacking energy: -99.224
Base-Backbone interact. energy: -0.424
local terms energy: -108.098459
where:
bonds (distance) C4'-P energy: -32.586
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -13.643
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: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -243.240396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.240396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.240396 (E_RNA)
where:
Base-Base interactions energy: -140.207
where: short stacking energy: -86.032
Base-Backbone interact. energy: -0.261
local terms energy: -102.772214
where:
bonds (distance) C4'-P energy: -26.913
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -176.053663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.053663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.053663 (E_RNA)
where:
Base-Base interactions energy: -86.743
where: short stacking energy: -69.123
Base-Backbone interact. energy: -0.262
local terms energy: -89.049042
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -0.273
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: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -593.501893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.501893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.501893 (E_RNA)
where:
Base-Base interactions energy: -411.049
where: short stacking energy: -185.439
Base-Backbone interact. energy: -1.072
local terms energy: -181.380785
where:
bonds (distance) C4'-P energy: -33.258
bonds (distance) P-C4' energy: -29.852
flat angles C4'-P-C4' energy: -35.732
flat angles P-C4'-P energy: -29.654
tors. eta vs tors. theta energy: -52.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -586.759319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.759319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.759319 (E_RNA)
where:
Base-Base interactions energy: -407.902
where: short stacking energy: -173.667
Base-Backbone interact. energy: 0.656
local terms energy: -179.512800
where:
bonds (distance) C4'-P energy: -32.837
bonds (distance) P-C4' energy: -31.870
flat angles C4'-P-C4' energy: -38.293
flat angles P-C4'-P energy: -28.771
tors. eta vs tors. theta energy: -47.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -527.359879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.359879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.359879 (E_RNA)
where:
Base-Base interactions energy: -373.458
where: short stacking energy: -173.890
Base-Backbone interact. energy: -0.651
local terms energy: -153.251508
where:
bonds (distance) C4'-P energy: -25.223
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -23.145
tors. eta vs tors. theta energy: -42.512
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: 458
Temperature: 1.050000
Total energy: -499.427878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.427878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.427878 (E_RNA)
where:
Base-Base interactions energy: -342.892
where: short stacking energy: -153.269
Base-Backbone interact. energy: -0.355
local terms energy: -156.181528
where:
bonds (distance) C4'-P energy: -28.937
bonds (distance) P-C4' energy: -30.432
flat angles C4'-P-C4' energy: -31.426
flat angles P-C4'-P energy: -22.445
tors. eta vs tors. theta energy: -42.942
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: 458
Temperature: 1.100000
Total energy: -499.988903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.988903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.988903 (E_RNA)
where:
Base-Base interactions energy: -347.805
where: short stacking energy: -151.836
Base-Backbone interact. energy: 0.169
local terms energy: -152.352327
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -46.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -475.126033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.126033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.126033 (E_RNA)
where:
Base-Base interactions energy: -321.840
where: short stacking energy: -157.228
Base-Backbone interact. energy: -0.047
local terms energy: -153.238766
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -27.419
flat angles C4'-P-C4' energy: -34.924
flat angles P-C4'-P energy: -18.847
tors. eta vs tors. theta energy: -43.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -325.398089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.398089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.398089 (E_RNA)
where:
Base-Base interactions energy: -192.577
where: short stacking energy: -114.019
Base-Backbone interact. energy: 0.792
local terms energy: -133.613520
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -31.387
flat angles C4'-P-C4' energy: -28.925
flat angles P-C4'-P energy: -18.104
tors. eta vs tors. theta energy: -28.093
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: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -268.837497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.837497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.837497 (E_RNA)
where:
Base-Base interactions energy: -144.827
where: short stacking energy: -81.287
Base-Backbone interact. energy: -1.358
local terms energy: -122.652547
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -19.269
tors. eta vs tors. theta energy: -14.392
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: 458
Temperature: 1.300000
Total energy: -237.925550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.925550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.925550 (E_RNA)
where:
Base-Base interactions energy: -142.564
where: short stacking energy: -78.616
Base-Backbone interact. energy: -0.457
local terms energy: -94.904525
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -28.123
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -176.672713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.672713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.672713 (E_RNA)
where:
Base-Base interactions energy: -73.811
where: short stacking energy: -58.090
Base-Backbone interact. energy: 1.207
local terms energy: -104.069360
where:
bonds (distance) C4'-P energy: -27.660
bonds (distance) P-C4' energy: -29.539
flat angles C4'-P-C4' energy: -25.619
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -586.586151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.586151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.586151 (E_RNA)
where:
Base-Base interactions energy: -407.360
where: short stacking energy: -177.804
Base-Backbone interact. energy: -0.746
local terms energy: -178.480690
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -37.595
flat angles C4'-P-C4' energy: -36.933
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -50.497
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: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -577.322519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.322519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.322519 (E_RNA)
where:
Base-Base interactions energy: -400.034
where: short stacking energy: -187.174
Base-Backbone interact. energy: -0.300
local terms energy: -176.987770
where:
bonds (distance) C4'-P energy: -28.560
bonds (distance) P-C4' energy: -32.086
flat angles C4'-P-C4' energy: -37.672
flat angles P-C4'-P energy: -28.824
tors. eta vs tors. theta energy: -49.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -541.241876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.241876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.241876 (E_RNA)
where:
Base-Base interactions energy: -361.079
where: short stacking energy: -184.262
Base-Backbone interact. energy: -0.825
local terms energy: -179.337994
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -33.667
flat angles P-C4'-P energy: -28.001
tors. eta vs tors. theta energy: -48.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -491.323294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.323294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.323294 (E_RNA)
where:
Base-Base interactions energy: -330.675
where: short stacking energy: -152.502
Base-Backbone interact. energy: -1.455
local terms energy: -159.192460
where:
bonds (distance) C4'-P energy: -24.608
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -26.779
tors. eta vs tors. theta energy: -38.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -492.362324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.362324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.362324 (E_RNA)
where:
Base-Base interactions energy: -332.609
where: short stacking energy: -151.504
Base-Backbone interact. energy: -1.437
local terms energy: -158.316901
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -40.047
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -46.496
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: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -458.522930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.522930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.522930 (E_RNA)
where:
Base-Base interactions energy: -312.106
where: short stacking energy: -153.686
Base-Backbone interact. energy: -0.164
local terms energy: -146.252144
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -34.445
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -39.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -307.061716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.061716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.061716 (E_RNA)
where:
Base-Base interactions energy: -192.566
where: short stacking energy: -109.314
Base-Backbone interact. energy: 0.491
local terms energy: -114.986884
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -29.157
flat angles C4'-P-C4' energy: -25.567
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -291.794539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.794539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.794539 (E_RNA)
where:
Base-Base interactions energy: -174.707
where: short stacking energy: -88.085
Base-Backbone interact. energy: -0.645
local terms energy: -116.442918
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -29.080
flat angles C4'-P-C4' energy: -34.573
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -246.514896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.514896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.514896 (E_RNA)
where:
Base-Base interactions energy: -130.890
where: short stacking energy: -80.412
Base-Backbone interact. energy: 1.145
local terms energy: -116.769493
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -33.928
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -8.584
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: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -151.779194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.779194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.779194 (E_RNA)
where:
Base-Base interactions energy: -71.523
where: short stacking energy: -59.543
Base-Backbone interact. energy: 1.248
local terms energy: -81.503611
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: 3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -593.039933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.039933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.039933 (E_RNA)
where:
Base-Base interactions energy: -410.410
where: short stacking energy: -186.665
Base-Backbone interact. energy: 0.380
local terms energy: -183.010658
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -32.825
flat angles C4'-P-C4' energy: -35.946
flat angles P-C4'-P energy: -28.512
tors. eta vs tors. theta energy: -52.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -574.940683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.940683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.940683 (E_RNA)
where:
Base-Base interactions energy: -396.754
where: short stacking energy: -186.513
Base-Backbone interact. energy: -0.368
local terms energy: -177.818568
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -39.400
flat angles C4'-P-C4' energy: -34.306
flat angles P-C4'-P energy: -23.045
tors. eta vs tors. theta energy: -49.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -504.364823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.364823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.364823 (E_RNA)
where:
Base-Base interactions energy: -346.187
where: short stacking energy: -167.597
Base-Backbone interact. energy: -0.086
local terms energy: -158.091156
where:
bonds (distance) C4'-P energy: -32.869
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -35.784
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -41.813
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: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -537.725020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.725020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.725020 (E_RNA)
where:
Base-Base interactions energy: -375.724
where: short stacking energy: -182.286
Base-Backbone interact. energy: -1.072
local terms energy: -160.928363
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -27.228
flat angles C4'-P-C4' energy: -36.168
flat angles P-C4'-P energy: -24.952
tors. eta vs tors. theta energy: -47.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -488.577970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.577970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.577970 (E_RNA)
where:
Base-Base interactions energy: -320.248
where: short stacking energy: -161.399
Base-Backbone interact. energy: -0.824
local terms energy: -167.505883
where:
bonds (distance) C4'-P energy: -36.999
bonds (distance) P-C4' energy: -28.833
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -22.993
tors. eta vs tors. theta energy: -47.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -477.000381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.000381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.000381 (E_RNA)
where:
Base-Base interactions energy: -322.388
where: short stacking energy: -154.638
Base-Backbone interact. energy: -0.450
local terms energy: -154.163202
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -30.963
flat angles C4'-P-C4' energy: -36.900
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -40.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -275.838153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.838153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.838153 (E_RNA)
where:
Base-Base interactions energy: -151.454
where: short stacking energy: -85.282
Base-Backbone interact. energy: -0.741
local terms energy: -123.643786
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -31.328
flat angles P-C4'-P energy: -21.428
tors. eta vs tors. theta energy: -17.409
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: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -317.564796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.564796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.564796 (E_RNA)
where:
Base-Base interactions energy: -194.703
where: short stacking energy: -99.950
Base-Backbone interact. energy: -1.606
local terms energy: -121.256147
where:
bonds (distance) C4'-P energy: -24.009
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -30.996
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -21.041
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: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -169.637300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.637300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.637300 (E_RNA)
where:
Base-Base interactions energy: -59.866
where: short stacking energy: -56.437
Base-Backbone interact. energy: -0.637
local terms energy: -109.134406
where:
bonds (distance) C4'-P energy: -27.717
bonds (distance) P-C4' energy: -38.356
flat angles C4'-P-C4' energy: -25.031
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: 2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -241.034954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.034954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.034954 (E_RNA)
where:
Base-Base interactions energy: -126.402
where: short stacking energy: -75.835
Base-Backbone interact. energy: -0.616
local terms energy: -114.016253
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -26.988
flat angles P-C4'-P energy: -20.370
tors. eta vs tors. theta energy: -8.900
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: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -593.308063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.308063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.308063 (E_RNA)
where:
Base-Base interactions energy: -415.633
where: short stacking energy: -196.702
Base-Backbone interact. energy: -0.344
local terms energy: -177.330788
where:
bonds (distance) C4'-P energy: -28.251
bonds (distance) P-C4' energy: -27.394
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -53.980
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: 461
Temperature: 0.950000
Total energy: -571.794760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.794760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.794760 (E_RNA)
where:
Base-Base interactions energy: -396.058
where: short stacking energy: -171.555
Base-Backbone interact. energy: -0.899
local terms energy: -174.838090
where:
bonds (distance) C4'-P energy: -27.597
bonds (distance) P-C4' energy: -34.908
flat angles C4'-P-C4' energy: -36.571
flat angles P-C4'-P energy: -27.096
tors. eta vs tors. theta energy: -48.666
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: 6
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -513.217248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.217248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.217248 (E_RNA)
where:
Base-Base interactions energy: -345.988
where: short stacking energy: -156.732
Base-Backbone interact. energy: 1.371
local terms energy: -168.599652
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -31.786
flat angles C4'-P-C4' energy: -36.987
flat angles P-C4'-P energy: -26.810
tors. eta vs tors. theta energy: -41.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -511.077464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.077464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.077464 (E_RNA)
where:
Base-Base interactions energy: -349.523
where: short stacking energy: -157.412
Base-Backbone interact. energy: -1.204
local terms energy: -160.350054
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -36.615
flat angles P-C4'-P energy: -25.496
tors. eta vs tors. theta energy: -39.707
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: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -524.709520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.709520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.709520 (E_RNA)
where:
Base-Base interactions energy: -356.377
where: short stacking energy: -171.189
Base-Backbone interact. energy: -0.166
local terms energy: -168.166788
where:
bonds (distance) C4'-P energy: -28.642
bonds (distance) P-C4' energy: -34.279
flat angles C4'-P-C4' energy: -35.095
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -48.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -503.443053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.443053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.443053 (E_RNA)
where:
Base-Base interactions energy: -345.294
where: short stacking energy: -157.902
Base-Backbone interact. energy: -1.061
local terms energy: -157.087515
where:
bonds (distance) C4'-P energy: -28.145
bonds (distance) P-C4' energy: -28.385
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -44.727
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: 7, replica: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -263.483576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.483576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.483576 (E_RNA)
where:
Base-Base interactions energy: -143.131
where: short stacking energy: -78.519
Base-Backbone interact. energy: -0.067
local terms energy: -120.285545
where:
bonds (distance) C4'-P energy: -30.619
bonds (distance) P-C4' energy: -34.949
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -22.530
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -342.371221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.371221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.371221 (E_RNA)
where:
Base-Base interactions energy: -208.432
where: short stacking energy: -116.563
Base-Backbone interact. energy: 0.371
local terms energy: -134.310520
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -31.734
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -27.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -164.501719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.501719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.501719 (E_RNA)
where:
Base-Base interactions energy: -70.086
where: short stacking energy: -43.040
Base-Backbone interact. energy: -0.876
local terms energy: -93.539757
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -33.413
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: 1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -221.983726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.983726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.983726 (E_RNA)
where:
Base-Base interactions energy: -123.215
where: short stacking energy: -81.339
Base-Backbone interact. energy: 2.034
local terms energy: -100.803172
where:
bonds (distance) C4'-P energy: -25.745
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -599.162417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.162417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.162417 (E_RNA)
where:
Base-Base interactions energy: -419.805
where: short stacking energy: -187.814
Base-Backbone interact. energy: -0.736
local terms energy: -178.620623
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -35.464
flat angles P-C4'-P energy: -25.352
tors. eta vs tors. theta energy: -53.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -562.163435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.163435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.163435 (E_RNA)
where:
Base-Base interactions energy: -394.736
where: short stacking energy: -180.259
Base-Backbone interact. energy: -0.301
local terms energy: -167.126831
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -31.551
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: -51.317
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: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -519.180651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.180651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.180651 (E_RNA)
where:
Base-Base interactions energy: -356.166
where: short stacking energy: -175.097
Base-Backbone interact. energy: -0.174
local terms energy: -162.840721
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -31.117
flat angles C4'-P-C4' energy: -33.546
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -45.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -510.976128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.976128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.976128 (E_RNA)
where:
Base-Base interactions energy: -347.516
where: short stacking energy: -171.311
Base-Backbone interact. energy: -0.992
local terms energy: -162.468202
where:
bonds (distance) C4'-P energy: -30.387
bonds (distance) P-C4' energy: -26.264
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -51.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -505.605906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.605906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.605906 (E_RNA)
where:
Base-Base interactions energy: -341.839
where: short stacking energy: -159.580
Base-Backbone interact. energy: -1.406
local terms energy: -162.360343
where:
bonds (distance) C4'-P energy: -30.460
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -36.469
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -46.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -480.080612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.080612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.080612 (E_RNA)
where:
Base-Base interactions energy: -332.717
where: short stacking energy: -149.361
Base-Backbone interact. energy: -0.122
local terms energy: -147.241762
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -32.351
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -25.119
tors. eta vs tors. theta energy: -38.691
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: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -379.076551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.076551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.076551 (E_RNA)
where:
Base-Base interactions energy: -248.042
where: short stacking energy: -122.480
Base-Backbone interact. energy: -1.315
local terms energy: -129.719670
where:
bonds (distance) C4'-P energy: -27.450
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -31.643
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -27.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -229.619612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.619612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.619612 (E_RNA)
where:
Base-Base interactions energy: -118.893
where: short stacking energy: -66.821
Base-Backbone interact. energy: 1.238
local terms energy: -111.964774
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -26.479
flat angles C4'-P-C4' energy: -32.525
flat angles P-C4'-P energy: -18.894
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: 9, replica: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -255.072253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.072253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.072253 (E_RNA)
where:
Base-Base interactions energy: -153.120
where: short stacking energy: -79.643
Base-Backbone interact. energy: -0.554
local terms energy: -101.397678
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -29.493
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -159.472800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.472800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.472800 (E_RNA)
where:
Base-Base interactions energy: -79.385
where: short stacking energy: -70.702
Base-Backbone interact. energy: 0.593
local terms energy: -80.679919
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -27.666
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -589.910472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.910472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.910472 (E_RNA)
where:
Base-Base interactions energy: -403.782
where: short stacking energy: -182.879
Base-Backbone interact. energy: -0.777
local terms energy: -185.351073
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -36.402
flat angles P-C4'-P energy: -27.492
tors. eta vs tors. theta energy: -53.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -565.112302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.112302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.112302 (E_RNA)
where:
Base-Base interactions energy: -406.033
where: short stacking energy: -189.554
Base-Backbone interact. energy: -0.368
local terms energy: -158.711377
where:
bonds (distance) C4'-P energy: -30.485
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -33.146
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -44.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -514.245176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.245176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.245176 (E_RNA)
where:
Base-Base interactions energy: -351.813
where: short stacking energy: -160.368
Base-Backbone interact. energy: -1.886
local terms energy: -160.545478
where:
bonds (distance) C4'-P energy: -29.448
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -33.193
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -47.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -514.594660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.594660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.594660 (E_RNA)
where:
Base-Base interactions energy: -358.952
where: short stacking energy: -171.226
Base-Backbone interact. energy: 0.189
local terms energy: -155.832075
where:
bonds (distance) C4'-P energy: -32.045
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -35.592
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -44.128
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: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -492.126876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.126876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.126876 (E_RNA)
where:
Base-Base interactions energy: -339.446
where: short stacking energy: -157.636
Base-Backbone interact. energy: -0.681
local terms energy: -151.999138
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -33.823
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -40.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -461.672210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.672210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.672210 (E_RNA)
where:
Base-Base interactions energy: -306.389
where: short stacking energy: -148.223
Base-Backbone interact. energy: -1.304
local terms energy: -153.978833
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -37.378
flat angles C4'-P-C4' energy: -32.705
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -39.393
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: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -368.511249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.511249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.511249 (E_RNA)
where:
Base-Base interactions energy: -231.272
where: short stacking energy: -123.489
Base-Backbone interact. energy: 2.003
local terms energy: -139.242713
where:
bonds (distance) C4'-P energy: -27.009
bonds (distance) P-C4' energy: -29.762
flat angles C4'-P-C4' energy: -29.215
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -37.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -307.297047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.297047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.297047 (E_RNA)
where:
Base-Base interactions energy: -187.235
where: short stacking energy: -88.793
Base-Backbone interact. energy: -0.430
local terms energy: -119.632029
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -249.120860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.120860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.120860 (E_RNA)
where:
Base-Base interactions energy: -141.397
where: short stacking energy: -75.096
Base-Backbone interact. energy: -0.520
local terms energy: -107.203643
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -29.817
flat angles P-C4'-P energy: -24.359
tors. eta vs tors. theta energy: -7.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -173.192908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.192908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.192908 (E_RNA)
where:
Base-Base interactions energy: -73.600
where: short stacking energy: -54.895
Base-Backbone interact. energy: -0.560
local terms energy: -99.032703
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: 1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -585.449668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.449668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.449668 (E_RNA)
where:
Base-Base interactions energy: -405.817
where: short stacking energy: -180.769
Base-Backbone interact. energy: -0.288
local terms energy: -179.344536
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -34.185
flat angles C4'-P-C4' energy: -32.346
flat angles P-C4'-P energy: -28.073
tors. eta vs tors. theta energy: -50.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -580.507392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.507392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.507392 (E_RNA)
where:
Base-Base interactions energy: -395.829
where: short stacking energy: -181.529
Base-Backbone interact. energy: -0.002
local terms energy: -184.675625
where:
bonds (distance) C4'-P energy: -31.953
bonds (distance) P-C4' energy: -35.933
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -28.305
tors. eta vs tors. theta energy: -51.440
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: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -527.636419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.636419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.636419 (E_RNA)
where:
Base-Base interactions energy: -358.174
where: short stacking energy: -172.425
Base-Backbone interact. energy: -0.717
local terms energy: -168.746010
where:
bonds (distance) C4'-P energy: -30.268
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -38.050
flat angles P-C4'-P energy: -23.013
tors. eta vs tors. theta energy: -45.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -519.908321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.908321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.908321 (E_RNA)
where:
Base-Base interactions energy: -348.261
where: short stacking energy: -173.097
Base-Backbone interact. energy: -0.327
local terms energy: -171.319710
where:
bonds (distance) C4'-P energy: -33.302
bonds (distance) P-C4' energy: -31.125
flat angles C4'-P-C4' energy: -36.262
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -47.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -490.086965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.086965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.086965 (E_RNA)
where:
Base-Base interactions energy: -334.377
where: short stacking energy: -162.929
Base-Backbone interact. energy: -0.489
local terms energy: -155.220271
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -31.568
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: -43.075
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: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -486.496824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.496824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.496824 (E_RNA)
where:
Base-Base interactions energy: -337.859
where: short stacking energy: -160.227
Base-Backbone interact. energy: -0.588
local terms energy: -148.049135
where:
bonds (distance) C4'-P energy: -29.253
bonds (distance) P-C4' energy: -27.491
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -42.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -358.522641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.522641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.522641 (E_RNA)
where:
Base-Base interactions energy: -226.956
where: short stacking energy: -113.629
Base-Backbone interact. energy: -0.345
local terms energy: -131.221627
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -28.369
flat angles P-C4'-P energy: -19.933
tors. eta vs tors. theta energy: -28.084
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: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -310.680454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.680454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.680454 (E_RNA)
where:
Base-Base interactions energy: -198.559
where: short stacking energy: -105.612
Base-Backbone interact. energy: -0.561
local terms energy: -111.560175
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -32.667
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -17.191
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -245.264689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.264689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.264689 (E_RNA)
where:
Base-Base interactions energy: -132.885
where: short stacking energy: -85.279
Base-Backbone interact. energy: 0.144
local terms energy: -112.523730
where:
bonds (distance) C4'-P energy: -25.867
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -162.093024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.093024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.093024 (E_RNA)
where:
Base-Base interactions energy: -57.810
where: short stacking energy: -44.899
Base-Backbone interact. energy: -2.293
local terms energy: -101.990310
where:
bonds (distance) C4'-P energy: -26.928
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -9.273
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: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -578.509790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.509790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.509790 (E_RNA)
where:
Base-Base interactions energy: -396.231
where: short stacking energy: -180.397
Base-Backbone interact. energy: -0.312
local terms energy: -181.966714
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -38.196
flat angles C4'-P-C4' energy: -36.184
flat angles P-C4'-P energy: -28.146
tors. eta vs tors. theta energy: -49.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -574.277953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.277953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.277953 (E_RNA)
where:
Base-Base interactions energy: -396.903
where: short stacking energy: -183.810
Base-Backbone interact. energy: -0.011
local terms energy: -177.364377
where:
bonds (distance) C4'-P energy: -38.543
bonds (distance) P-C4' energy: -31.861
flat angles C4'-P-C4' energy: -36.999
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: -48.977
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: 465
Temperature: 1.000000
Total energy: -516.244593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.244593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.244593 (E_RNA)
where:
Base-Base interactions energy: -336.236
where: short stacking energy: -156.335
Base-Backbone interact. energy: -2.566
local terms energy: -177.442633
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -34.710
flat angles P-C4'-P energy: -31.353
tors. eta vs tors. theta energy: -46.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -503.707587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.707587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.707587 (E_RNA)
where:
Base-Base interactions energy: -339.131
where: short stacking energy: -160.104
Base-Backbone interact. energy: -0.947
local terms energy: -163.629762
where:
bonds (distance) C4'-P energy: -31.349
bonds (distance) P-C4' energy: -32.604
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -41.822
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: 465
Temperature: 1.100000
Total energy: -492.250080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.250080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.250080 (E_RNA)
where:
Base-Base interactions energy: -338.471
where: short stacking energy: -164.893
Base-Backbone interact. energy: -0.407
local terms energy: -153.371814
where:
bonds (distance) C4'-P energy: -24.390
bonds (distance) P-C4' energy: -26.649
flat angles C4'-P-C4' energy: -33.606
flat angles P-C4'-P energy: -25.378
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: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -462.734575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.734575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.734575 (E_RNA)
where:
Base-Base interactions energy: -313.496
where: short stacking energy: -143.851
Base-Backbone interact. energy: -1.204
local terms energy: -148.033945
where:
bonds (distance) C4'-P energy: -28.847
bonds (distance) P-C4' energy: -28.978
flat angles C4'-P-C4' energy: -32.813
flat angles P-C4'-P energy: -23.104
tors. eta vs tors. theta energy: -34.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -352.949937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.949937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.949937 (E_RNA)
where:
Base-Base interactions energy: -215.274
where: short stacking energy: -118.544
Base-Backbone interact. energy: -1.679
local terms energy: -135.997366
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -31.292
flat angles C4'-P-C4' energy: -30.655
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -22.067
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: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -267.415322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.415322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.415322 (E_RNA)
where:
Base-Base interactions energy: -154.533
where: short stacking energy: -80.510
Base-Backbone interact. energy: -1.415
local terms energy: -111.467676
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -164.983161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.983161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.983161 (E_RNA)
where:
Base-Base interactions energy: -56.877
where: short stacking energy: -45.209
Base-Backbone interact. energy: -0.387
local terms energy: -107.719976
where:
bonds (distance) C4'-P energy: -32.190
bonds (distance) P-C4' energy: -30.064
flat angles C4'-P-C4' energy: -33.323
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -2.405
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: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -164.239783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.239783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.239783 (E_RNA)
where:
Base-Base interactions energy: -67.602
where: short stacking energy: -49.942
Base-Backbone interact. energy: -0.651
local terms energy: -95.986047
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: 3.193
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: 466
Temperature: 0.900000
Total energy: -580.716997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.716997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.716997 (E_RNA)
where:
Base-Base interactions energy: -402.587
where: short stacking energy: -183.114
Base-Backbone interact. energy: 2.156
local terms energy: -180.285758
where:
bonds (distance) C4'-P energy: -29.827
bonds (distance) P-C4' energy: -30.867
flat angles C4'-P-C4' energy: -40.522
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -55.071
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: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -581.904610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.904610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.904610 (E_RNA)
where:
Base-Base interactions energy: -399.871
where: short stacking energy: -185.384
Base-Backbone interact. energy: -0.979
local terms energy: -181.054024
where:
bonds (distance) C4'-P energy: -32.135
bonds (distance) P-C4' energy: -36.205
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -50.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -512.216897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.216897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.216897 (E_RNA)
where:
Base-Base interactions energy: -336.683
where: short stacking energy: -156.119
Base-Backbone interact. energy: -1.129
local terms energy: -174.404629
where:
bonds (distance) C4'-P energy: -29.834
bonds (distance) P-C4' energy: -33.002
flat angles C4'-P-C4' energy: -39.421
flat angles P-C4'-P energy: -27.036
tors. eta vs tors. theta energy: -45.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -479.204774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.204774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.204774 (E_RNA)
where:
Base-Base interactions energy: -325.677
where: short stacking energy: -162.486
Base-Backbone interact. energy: -0.877
local terms energy: -152.650415
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -33.955
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -46.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -489.775449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.775449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.775449 (E_RNA)
where:
Base-Base interactions energy: -344.564
where: short stacking energy: -156.221
Base-Backbone interact. energy: -0.856
local terms energy: -144.355527
where:
bonds (distance) C4'-P energy: -27.795
bonds (distance) P-C4' energy: -29.012
flat angles C4'-P-C4' energy: -30.074
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -40.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -480.519104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.519104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.519104 (E_RNA)
where:
Base-Base interactions energy: -319.798
where: short stacking energy: -149.271
Base-Backbone interact. energy: -0.921
local terms energy: -159.800274
where:
bonds (distance) C4'-P energy: -30.201
bonds (distance) P-C4' energy: -28.224
flat angles C4'-P-C4' energy: -34.846
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -45.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -366.938992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.938992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.938992 (E_RNA)
where:
Base-Base interactions energy: -228.532
where: short stacking energy: -120.638
Base-Backbone interact. energy: -0.927
local terms energy: -137.480218
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -31.933
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -32.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -300.366075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.366075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.366075 (E_RNA)
where:
Base-Base interactions energy: -179.459
where: short stacking energy: -83.657
Base-Backbone interact. energy: 0.090
local terms energy: -120.996277
where:
bonds (distance) C4'-P energy: -28.489
bonds (distance) P-C4' energy: -30.882
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -21.056
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: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -164.571442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.571442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.571442 (E_RNA)
where:
Base-Base interactions energy: -66.228
where: short stacking energy: -58.889
Base-Backbone interact. energy: -0.922
local terms energy: -97.420920
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -27.546
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: 0.934
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: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -151.701113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.701113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.701113 (E_RNA)
where:
Base-Base interactions energy: -57.935
where: short stacking energy: -40.358
Base-Backbone interact. energy: 0.357
local terms energy: -94.123149
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -29.039
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -574.763822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.763822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.763822 (E_RNA)
where:
Base-Base interactions energy: -400.011
where: short stacking energy: -176.723
Base-Backbone interact. energy: -0.651
local terms energy: -174.101658
where:
bonds (distance) C4'-P energy: -29.824
bonds (distance) P-C4' energy: -32.815
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: -51.840
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: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -584.880894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.880894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.880894 (E_RNA)
where:
Base-Base interactions energy: -407.373
where: short stacking energy: -181.240
Base-Backbone interact. energy: -0.836
local terms energy: -176.672276
where:
bonds (distance) C4'-P energy: -31.687
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -38.595
flat angles P-C4'-P energy: -26.280
tors. eta vs tors. theta energy: -49.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -522.553413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.553413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.553413 (E_RNA)
where:
Base-Base interactions energy: -353.905
where: short stacking energy: -170.286
Base-Backbone interact. energy: 1.249
local terms energy: -169.898105
where:
bonds (distance) C4'-P energy: -32.051
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -34.055
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -47.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -504.978371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.978371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.978371 (E_RNA)
where:
Base-Base interactions energy: -339.745
where: short stacking energy: -176.183
Base-Backbone interact. energy: -1.408
local terms energy: -163.825429
where:
bonds (distance) C4'-P energy: -35.917
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -29.567
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -47.213
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: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -491.232543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.232543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.232543 (E_RNA)
where:
Base-Base interactions energy: -333.641
where: short stacking energy: -157.623
Base-Backbone interact. energy: -1.053
local terms energy: -156.538084
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -31.236
flat angles C4'-P-C4' energy: -33.300
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -45.426
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: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -416.340878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.340878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.340878 (E_RNA)
where:
Base-Base interactions energy: -263.200
where: short stacking energy: -144.226
Base-Backbone interact. energy: -0.112
local terms energy: -153.028950
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -32.986
flat angles C4'-P-C4' energy: -30.540
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -43.294
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: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -446.112320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.112320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.112320 (E_RNA)
where:
Base-Base interactions energy: -317.418
where: short stacking energy: -135.529
Base-Backbone interact. energy: -0.320
local terms energy: -128.373648
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -27.112
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -34.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -320.727667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.727667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.727667 (E_RNA)
where:
Base-Base interactions energy: -190.811
where: short stacking energy: -117.185
Base-Backbone interact. energy: -0.242
local terms energy: -129.673962
where:
bonds (distance) C4'-P energy: -26.438
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -32.577
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -170.338023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.338023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.338023 (E_RNA)
where:
Base-Base interactions energy: -67.281
where: short stacking energy: -67.281
Base-Backbone interact. energy: -0.476
local terms energy: -102.580883
where:
bonds (distance) C4'-P energy: -25.288
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -33.349
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -10.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -157.724554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.724554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.724554 (E_RNA)
where:
Base-Base interactions energy: -60.619
where: short stacking energy: -54.705
Base-Backbone interact. energy: 5.142
local terms energy: -102.248091
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -29.352
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -2.523
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: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -581.498580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.498580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.498580 (E_RNA)
where:
Base-Base interactions energy: -408.152
where: short stacking energy: -177.538
Base-Backbone interact. energy: -1.449
local terms energy: -171.898141
where:
bonds (distance) C4'-P energy: -29.294
bonds (distance) P-C4' energy: -33.999
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -21.430
tors. eta vs tors. theta energy: -51.014
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: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -579.438888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.438888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.438888 (E_RNA)
where:
Base-Base interactions energy: -394.096
where: short stacking energy: -183.973
Base-Backbone interact. energy: -0.021
local terms energy: -185.321872
where:
bonds (distance) C4'-P energy: -28.519
bonds (distance) P-C4' energy: -37.096
flat angles C4'-P-C4' energy: -39.678
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -54.408
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: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -532.944134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.944134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.944134 (E_RNA)
where:
Base-Base interactions energy: -362.787
where: short stacking energy: -162.982
Base-Backbone interact. energy: -0.393
local terms energy: -169.764416
where:
bonds (distance) C4'-P energy: -32.028
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -46.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -505.166380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.166380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.166380 (E_RNA)
where:
Base-Base interactions energy: -341.417
where: short stacking energy: -160.920
Base-Backbone interact. energy: 0.112
local terms energy: -163.861892
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -41.738
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: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -494.158431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.158431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.158431 (E_RNA)
where:
Base-Base interactions energy: -340.631
where: short stacking energy: -162.509
Base-Backbone interact. energy: -0.130
local terms energy: -153.396853
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -25.901
flat angles C4'-P-C4' energy: -36.274
flat angles P-C4'-P energy: -15.750
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: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -389.861947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.861947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.861947 (E_RNA)
where:
Base-Base interactions energy: -253.095
where: short stacking energy: -134.194
Base-Backbone interact. energy: -0.477
local terms energy: -136.290634
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -27.775
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -38.028
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: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -412.683374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.683374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.683374 (E_RNA)
where:
Base-Base interactions energy: -268.022
where: short stacking energy: -151.770
Base-Backbone interact. energy: -0.706
local terms energy: -143.955475
where:
bonds (distance) C4'-P energy: -28.955
bonds (distance) P-C4' energy: -31.010
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: -38.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -339.517626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.517626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.517626 (E_RNA)
where:
Base-Base interactions energy: -215.857
where: short stacking energy: -115.441
Base-Backbone interact. energy: 0.480
local terms energy: -124.140329
where:
bonds (distance) C4'-P energy: -30.350
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -25.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -176.899072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.899072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.899072 (E_RNA)
where:
Base-Base interactions energy: -69.587
where: short stacking energy: -64.480
Base-Backbone interact. energy: -0.522
local terms energy: -106.789150
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -29.558
flat angles C4'-P-C4' energy: -27.019
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -8.925
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: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -162.945429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.945429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.945429 (E_RNA)
where:
Base-Base interactions energy: -72.129
where: short stacking energy: -60.139
Base-Backbone interact. energy: -0.176
local terms energy: -90.639874
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -590.136178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.136178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.136178 (E_RNA)
where:
Base-Base interactions energy: -413.424
where: short stacking energy: -181.950
Base-Backbone interact. energy: -0.580
local terms energy: -176.131905
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -30.912
flat angles C4'-P-C4' energy: -39.346
flat angles P-C4'-P energy: -28.295
tors. eta vs tors. theta energy: -52.325
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: 2, replica: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -569.652328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.652328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.652328 (E_RNA)
where:
Base-Base interactions energy: -387.579
where: short stacking energy: -178.991
Base-Backbone interact. energy: -0.301
local terms energy: -181.772542
where:
bonds (distance) C4'-P energy: -28.798
bonds (distance) P-C4' energy: -37.276
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: -52.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -524.805196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.805196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.805196 (E_RNA)
where:
Base-Base interactions energy: -351.735
where: short stacking energy: -169.006
Base-Backbone interact. energy: -0.669
local terms energy: -172.400547
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -35.898
flat angles P-C4'-P energy: -27.318
tors. eta vs tors. theta energy: -46.159
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: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -515.744970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.744970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.744970 (E_RNA)
where:
Base-Base interactions energy: -349.644
where: short stacking energy: -154.396
Base-Backbone interact. energy: -0.388
local terms energy: -165.713494
where:
bonds (distance) C4'-P energy: -27.139
bonds (distance) P-C4' energy: -33.116
flat angles C4'-P-C4' energy: -35.471
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -46.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -510.763212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.763212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.763212 (E_RNA)
where:
Base-Base interactions energy: -342.384
where: short stacking energy: -168.868
Base-Backbone interact. energy: -0.048
local terms energy: -168.330775
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -35.026
flat angles C4'-P-C4' energy: -35.218
flat angles P-C4'-P energy: -23.671
tors. eta vs tors. theta energy: -52.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -455.546970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.546970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.546970 (E_RNA)
where:
Base-Base interactions energy: -305.030
where: short stacking energy: -160.705
Base-Backbone interact. energy: -0.089
local terms energy: -150.427816
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -26.712
flat angles C4'-P-C4' energy: -36.747
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -42.883
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: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -340.011861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.011861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.011861 (E_RNA)
where:
Base-Base interactions energy: -210.652
where: short stacking energy: -98.591
Base-Backbone interact. energy: -0.684
local terms energy: -128.676523
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -32.504
flat angles C4'-P-C4' energy: -29.759
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -23.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -290.633882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.633882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.633882 (E_RNA)
where:
Base-Base interactions energy: -172.118
where: short stacking energy: -92.152
Base-Backbone interact. energy: -1.075
local terms energy: -117.441285
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -29.323
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -18.441
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: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -230.189060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.189060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.189060 (E_RNA)
where:
Base-Base interactions energy: -130.884
where: short stacking energy: -82.583
Base-Backbone interact. energy: 0.455
local terms energy: -99.760170
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -29.481
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -12.093
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: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -145.998365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.998365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.998365 (E_RNA)
where:
Base-Base interactions energy: -41.643
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.351
local terms energy: -104.004682
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -37.618
flat angles C4'-P-C4' energy: -27.384
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: 2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -589.844075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.844075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.844075 (E_RNA)
where:
Base-Base interactions energy: -404.366
where: short stacking energy: -181.530
Base-Backbone interact. energy: -0.285
local terms energy: -185.192616
where:
bonds (distance) C4'-P energy: -32.901
bonds (distance) P-C4' energy: -33.544
flat angles C4'-P-C4' energy: -38.262
flat angles P-C4'-P energy: -30.641
tors. eta vs tors. theta energy: -49.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -573.404294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.404294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.404294 (E_RNA)
where:
Base-Base interactions energy: -400.640
where: short stacking energy: -176.201
Base-Backbone interact. energy: -1.441
local terms energy: -171.323166
where:
bonds (distance) C4'-P energy: -34.077
bonds (distance) P-C4' energy: -34.164
flat angles C4'-P-C4' energy: -33.672
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -49.723
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: 470
Temperature: 1.000000
Total energy: -532.002584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.002584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.002584 (E_RNA)
where:
Base-Base interactions energy: -358.246
where: short stacking energy: -169.235
Base-Backbone interact. energy: -1.129
local terms energy: -172.627793
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -25.184
flat angles C4'-P-C4' energy: -35.870
flat angles P-C4'-P energy: -29.924
tors. eta vs tors. theta energy: -51.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -495.495881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.495881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.495881 (E_RNA)
where:
Base-Base interactions energy: -338.094
where: short stacking energy: -158.905
Base-Backbone interact. energy: -2.120
local terms energy: -155.281837
where:
bonds (distance) C4'-P energy: -34.890
bonds (distance) P-C4' energy: -27.408
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -39.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -503.639011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.639011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.639011 (E_RNA)
where:
Base-Base interactions energy: -350.956
where: short stacking energy: -168.524
Base-Backbone interact. energy: -0.522
local terms energy: -152.161182
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -21.685
tors. eta vs tors. theta energy: -48.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -447.699761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.699761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.699761 (E_RNA)
where:
Base-Base interactions energy: -297.272
where: short stacking energy: -134.322
Base-Backbone interact. energy: -0.066
local terms energy: -150.361442
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -28.653
flat angles C4'-P-C4' energy: -35.742
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -35.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -337.673743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.673743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.673743 (E_RNA)
where:
Base-Base interactions energy: -203.134
where: short stacking energy: -116.823
Base-Backbone interact. energy: -0.959
local terms energy: -133.580959
where:
bonds (distance) C4'-P energy: -24.678
bonds (distance) P-C4' energy: -29.260
flat angles C4'-P-C4' energy: -26.951
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -29.118
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: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -268.429848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.429848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.429848 (E_RNA)
where:
Base-Base interactions energy: -164.445
where: short stacking energy: -81.700
Base-Backbone interact. energy: 1.438
local terms energy: -105.422772
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -266.686893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.686893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.686893 (E_RNA)
where:
Base-Base interactions energy: -142.058
where: short stacking energy: -80.569
Base-Backbone interact. energy: -1.556
local terms energy: -123.072258
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -25.416
flat angles C4'-P-C4' energy: -26.310
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -151.541823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.541823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.541823 (E_RNA)
where:
Base-Base interactions energy: -56.948
where: short stacking energy: -49.050
Base-Backbone interact. energy: -0.179
local terms energy: -94.414796
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -4.548
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: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -590.785792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.785792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.785792 (E_RNA)
where:
Base-Base interactions energy: -412.129
where: short stacking energy: -188.968
Base-Backbone interact. energy: -0.599
local terms energy: -178.058146
where:
bonds (distance) C4'-P energy: -34.668
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -35.452
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -47.742
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: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -570.457970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.457970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.457970 (E_RNA)
where:
Base-Base interactions energy: -392.878
where: short stacking energy: -179.150
Base-Backbone interact. energy: -0.430
local terms energy: -177.150349
where:
bonds (distance) C4'-P energy: -30.496
bonds (distance) P-C4' energy: -34.703
flat angles C4'-P-C4' energy: -35.129
flat angles P-C4'-P energy: -24.781
tors. eta vs tors. theta energy: -52.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -520.583010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.583010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.583010 (E_RNA)
where:
Base-Base interactions energy: -356.078
where: short stacking energy: -156.728
Base-Backbone interact. energy: -0.497
local terms energy: -164.007625
where:
bonds (distance) C4'-P energy: -34.528
bonds (distance) P-C4' energy: -26.073
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -48.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -509.312612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.312612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.312612 (E_RNA)
where:
Base-Base interactions energy: -355.274
where: short stacking energy: -154.266
Base-Backbone interact. energy: -0.012
local terms energy: -154.025847
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -46.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -498.462372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.462372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.462372 (E_RNA)
where:
Base-Base interactions energy: -338.231
where: short stacking energy: -165.014
Base-Backbone interact. energy: -0.432
local terms energy: -159.798973
where:
bonds (distance) C4'-P energy: -31.558
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -35.781
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -43.641
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: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -469.850335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.850335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.850335 (E_RNA)
where:
Base-Base interactions energy: -308.794
where: short stacking energy: -134.850
Base-Backbone interact. energy: -2.396
local terms energy: -158.659862
where:
bonds (distance) C4'-P energy: -32.816
bonds (distance) P-C4' energy: -28.523
flat angles C4'-P-C4' energy: -36.184
flat angles P-C4'-P energy: -25.489
tors. eta vs tors. theta energy: -35.648
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: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -368.888437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.888437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.888437 (E_RNA)
where:
Base-Base interactions energy: -230.724
where: short stacking energy: -122.702
Base-Backbone interact. energy: -0.748
local terms energy: -137.416769
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -32.840
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: -31.334
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: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -294.599018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.599018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.599018 (E_RNA)
where:
Base-Base interactions energy: -193.345
where: short stacking energy: -93.063
Base-Backbone interact. energy: 0.444
local terms energy: -101.698362
where:
bonds (distance) C4'-P energy: -26.861
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -31.971
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -11.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -250.859775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.859775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.859775 (E_RNA)
where:
Base-Base interactions energy: -142.388
where: short stacking energy: -78.806
Base-Backbone interact. energy: -0.037
local terms energy: -108.434144
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -34.024
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -174.446128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.446128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.446128 (E_RNA)
where:
Base-Base interactions energy: -73.390
where: short stacking energy: -47.540
Base-Backbone interact. energy: -1.344
local terms energy: -99.712251
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -33.558
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -578.374861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.374861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.374861 (E_RNA)
where:
Base-Base interactions energy: -399.420
where: short stacking energy: -171.148
Base-Backbone interact. energy: -0.077
local terms energy: -178.878251
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -34.996
flat angles C4'-P-C4' energy: -41.148
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -48.803
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: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -586.656263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.656263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.656263 (E_RNA)
where:
Base-Base interactions energy: -405.053
where: short stacking energy: -187.255
Base-Backbone interact. energy: -0.065
local terms energy: -181.538088
where:
bonds (distance) C4'-P energy: -32.655
bonds (distance) P-C4' energy: -31.186
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -30.352
tors. eta vs tors. theta energy: -53.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -523.003279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.003279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.003279 (E_RNA)
where:
Base-Base interactions energy: -340.801
where: short stacking energy: -158.893
Base-Backbone interact. energy: -0.095
local terms energy: -182.107865
where:
bonds (distance) C4'-P energy: -34.541
bonds (distance) P-C4' energy: -36.546
flat angles C4'-P-C4' energy: -40.736
flat angles P-C4'-P energy: -25.168
tors. eta vs tors. theta energy: -45.117
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: 472
Temperature: 1.050000
Total energy: -502.003395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.003395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.003395 (E_RNA)
where:
Base-Base interactions energy: -342.082
where: short stacking energy: -151.584
Base-Backbone interact. energy: -0.127
local terms energy: -159.794760
where:
bonds (distance) C4'-P energy: -35.055
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: -40.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -504.285979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.285979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.285979 (E_RNA)
where:
Base-Base interactions energy: -342.074
where: short stacking energy: -162.448
Base-Backbone interact. energy: -0.320
local terms energy: -161.891491
where:
bonds (distance) C4'-P energy: -32.394
bonds (distance) P-C4' energy: -27.779
flat angles C4'-P-C4' energy: -29.144
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -46.809
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: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -480.460830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.460830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.460830 (E_RNA)
where:
Base-Base interactions energy: -327.569
where: short stacking energy: -155.364
Base-Backbone interact. energy: -0.806
local terms energy: -152.086235
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -28.160
flat angles C4'-P-C4' energy: -29.632
flat angles P-C4'-P energy: -24.344
tors. eta vs tors. theta energy: -39.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -346.290656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.290656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.290656 (E_RNA)
where:
Base-Base interactions energy: -219.796
where: short stacking energy: -115.481
Base-Backbone interact. energy: -1.054
local terms energy: -125.440723
where:
bonds (distance) C4'-P energy: -30.997
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -24.345
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: 472
Temperature: 1.250000
Total energy: -279.427728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.427728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.427728 (E_RNA)
where:
Base-Base interactions energy: -166.030
where: short stacking energy: -93.497
Base-Backbone interact. energy: 2.704
local terms energy: -116.101499
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -26.447
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -12.555
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: 9, replica: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -226.263799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.263799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.263799 (E_RNA)
where:
Base-Base interactions energy: -125.456
where: short stacking energy: -79.738
Base-Backbone interact. energy: -0.918
local terms energy: -99.889590
where:
bonds (distance) C4'-P energy: -22.083
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -26.048
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -11.879
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: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -165.808546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.808546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.808546 (E_RNA)
where:
Base-Base interactions energy: -61.897
where: short stacking energy: -62.997
Base-Backbone interact. energy: -0.171
local terms energy: -103.740211
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -576.137644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.137644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.137644 (E_RNA)
where:
Base-Base interactions energy: -402.701
where: short stacking energy: -174.849
Base-Backbone interact. energy: -0.683
local terms energy: -172.753632
where:
bonds (distance) C4'-P energy: -28.524
bonds (distance) P-C4' energy: -31.551
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -28.107
tors. eta vs tors. theta energy: -49.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -579.312506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.312506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.312506 (E_RNA)
where:
Base-Base interactions energy: -407.686
where: short stacking energy: -180.811
Base-Backbone interact. energy: -0.866
local terms energy: -170.759725
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -51.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -523.921353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.921353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.921353 (E_RNA)
where:
Base-Base interactions energy: -350.587
where: short stacking energy: -170.164
Base-Backbone interact. energy: -0.390
local terms energy: -172.944337
where:
bonds (distance) C4'-P energy: -34.283
bonds (distance) P-C4' energy: -32.799
flat angles C4'-P-C4' energy: -33.998
flat angles P-C4'-P energy: -23.316
tors. eta vs tors. theta energy: -48.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -505.533651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.533651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.533651 (E_RNA)
where:
Base-Base interactions energy: -342.147
where: short stacking energy: -155.523
Base-Backbone interact. energy: -1.192
local terms energy: -162.194657
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -30.259
flat angles P-C4'-P energy: -25.460
tors. eta vs tors. theta energy: -39.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -499.578894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.578894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.578894 (E_RNA)
where:
Base-Base interactions energy: -343.921
where: short stacking energy: -144.415
Base-Backbone interact. energy: -0.968
local terms energy: -154.689898
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -28.870
flat angles C4'-P-C4' energy: -32.788
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -45.920
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: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -363.219386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.219386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.219386 (E_RNA)
where:
Base-Base interactions energy: -228.915
where: short stacking energy: -111.967
Base-Backbone interact. energy: -0.290
local terms energy: -134.014127
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -20.094
tors. eta vs tors. theta energy: -22.401
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: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -354.329856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.329856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.329856 (E_RNA)
where:
Base-Base interactions energy: -221.133
where: short stacking energy: -119.135
Base-Backbone interact. energy: -0.596
local terms energy: -132.601424
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -35.142
flat angles C4'-P-C4' energy: -33.451
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -26.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -271.665290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.665290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.665290 (E_RNA)
where:
Base-Base interactions energy: -172.997
where: short stacking energy: -109.292
Base-Backbone interact. energy: -0.233
local terms energy: -98.435552
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -27.511
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -258.266885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.266885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.266885 (E_RNA)
where:
Base-Base interactions energy: -147.237
where: short stacking energy: -86.393
Base-Backbone interact. energy: 0.440
local terms energy: -111.470053
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -28.651
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -198.512517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.512517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.512517 (E_RNA)
where:
Base-Base interactions energy: -104.268
where: short stacking energy: -71.670
Base-Backbone interact. energy: -0.633
local terms energy: -93.611759
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -30.225
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -9.097
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: 474
Temperature: 0.900000
Total energy: -580.731569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.731569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.731569 (E_RNA)
where:
Base-Base interactions energy: -410.838
where: short stacking energy: -187.809
Base-Backbone interact. energy: -0.126
local terms energy: -169.767618
where:
bonds (distance) C4'-P energy: -34.503
bonds (distance) P-C4' energy: -29.393
flat angles C4'-P-C4' energy: -34.580
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -47.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -583.989324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.989324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.989324 (E_RNA)
where:
Base-Base interactions energy: -396.358
where: short stacking energy: -183.788
Base-Backbone interact. energy: -0.141
local terms energy: -187.489987
where:
bonds (distance) C4'-P energy: -32.125
bonds (distance) P-C4' energy: -37.095
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -28.865
tors. eta vs tors. theta energy: -54.467
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: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -526.242932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.242932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.242932 (E_RNA)
where:
Base-Base interactions energy: -354.567
where: short stacking energy: -160.573
Base-Backbone interact. energy: -0.252
local terms energy: -171.423188
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -34.620
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -26.191
tors. eta vs tors. theta energy: -46.315
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: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -513.327503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.327503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.327503 (E_RNA)
where:
Base-Base interactions energy: -345.430
where: short stacking energy: -165.519
Base-Backbone interact. energy: -1.829
local terms energy: -166.068496
where:
bonds (distance) C4'-P energy: -30.237
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -33.933
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -48.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -491.055784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.055784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.055784 (E_RNA)
where:
Base-Base interactions energy: -341.411
where: short stacking energy: -145.900
Base-Backbone interact. energy: -0.520
local terms energy: -149.124727
where:
bonds (distance) C4'-P energy: -21.410
bonds (distance) P-C4' energy: -32.182
flat angles C4'-P-C4' energy: -35.115
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -43.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -382.467353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.467353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.467353 (E_RNA)
where:
Base-Base interactions energy: -248.031
where: short stacking energy: -117.036
Base-Backbone interact. energy: -0.370
local terms energy: -134.066830
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -29.246
flat angles C4'-P-C4' energy: -30.162
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -334.955492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.955492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.955492 (E_RNA)
where:
Base-Base interactions energy: -216.624
where: short stacking energy: -122.398
Base-Backbone interact. energy: 1.603
local terms energy: -119.934930
where:
bonds (distance) C4'-P energy: -24.230
bonds (distance) P-C4' energy: -29.804
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -272.369424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.369424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.369424 (E_RNA)
where:
Base-Base interactions energy: -151.661
where: short stacking energy: -86.022
Base-Backbone interact. energy: -0.184
local terms energy: -120.523588
where:
bonds (distance) C4'-P energy: -35.396
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -27.411
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -270.140250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.140250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.140250 (E_RNA)
where:
Base-Base interactions energy: -153.064
where: short stacking energy: -81.628
Base-Backbone interact. energy: 0.134
local terms energy: -117.209777
where:
bonds (distance) C4'-P energy: -25.146
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -29.496
flat angles P-C4'-P energy: -25.955
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -200.914482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.914482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.914482 (E_RNA)
where:
Base-Base interactions energy: -96.264
where: short stacking energy: -65.607
Base-Backbone interact. energy: -1.264
local terms energy: -103.386408
where:
bonds (distance) C4'-P energy: -29.399
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -588.668788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.668788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.668788 (E_RNA)
where:
Base-Base interactions energy: -411.224
where: short stacking energy: -182.333
Base-Backbone interact. energy: -0.040
local terms energy: -177.404694
where:
bonds (distance) C4'-P energy: -34.971
bonds (distance) P-C4' energy: -29.791
flat angles C4'-P-C4' energy: -34.588
flat angles P-C4'-P energy: -30.353
tors. eta vs tors. theta energy: -47.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -585.995448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.995448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.995448 (E_RNA)
where:
Base-Base interactions energy: -413.737
where: short stacking energy: -175.060
Base-Backbone interact. energy: -0.420
local terms energy: -171.838603
where:
bonds (distance) C4'-P energy: -32.566
bonds (distance) P-C4' energy: -32.468
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -22.667
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: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -524.352119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.352119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.352119 (E_RNA)
where:
Base-Base interactions energy: -361.696
where: short stacking energy: -166.895
Base-Backbone interact. energy: 0.922
local terms energy: -163.578871
where:
bonds (distance) C4'-P energy: -26.188
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -29.433
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: -50.021
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: 475
Temperature: 1.050000
Total energy: -496.842905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.842905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.842905 (E_RNA)
where:
Base-Base interactions energy: -338.815
where: short stacking energy: -154.994
Base-Backbone interact. energy: -0.499
local terms energy: -157.529736
where:
bonds (distance) C4'-P energy: -33.267
bonds (distance) P-C4' energy: -29.791
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -38.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -497.045200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.045200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.045200 (E_RNA)
where:
Base-Base interactions energy: -346.879
where: short stacking energy: -162.339
Base-Backbone interact. energy: -1.788
local terms energy: -148.378584
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -26.696
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -44.270
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: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -413.992266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.992266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.992266 (E_RNA)
where:
Base-Base interactions energy: -278.471
where: short stacking energy: -139.762
Base-Backbone interact. energy: -0.352
local terms energy: -135.169612
where:
bonds (distance) C4'-P energy: -27.460
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -29.512
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -33.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -337.833597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.833597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.833597 (E_RNA)
where:
Base-Base interactions energy: -205.996
where: short stacking energy: -106.279
Base-Backbone interact. energy: -0.636
local terms energy: -131.201451
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -21.155
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: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -271.711244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.711244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.711244 (E_RNA)
where:
Base-Base interactions energy: -159.892
where: short stacking energy: -89.698
Base-Backbone interact. energy: 2.341
local terms energy: -114.160009
where:
bonds (distance) C4'-P energy: -24.643
bonds (distance) P-C4' energy: -30.475
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -263.259897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.259897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.259897 (E_RNA)
where:
Base-Base interactions energy: -159.795
where: short stacking energy: -97.734
Base-Backbone interact. energy: -0.494
local terms energy: -102.970189
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -162.295340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.295340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.295340 (E_RNA)
where:
Base-Base interactions energy: -67.016
where: short stacking energy: -66.989
Base-Backbone interact. energy: -0.197
local terms energy: -95.081741
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -25.203
flat angles C4'-P-C4' energy: -31.573
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -599.828339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.828339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.828339 (E_RNA)
where:
Base-Base interactions energy: -420.396
where: short stacking energy: -187.049
Base-Backbone interact. energy: -0.138
local terms energy: -179.294639
where:
bonds (distance) C4'-P energy: -32.550
bonds (distance) P-C4' energy: -32.262
flat angles C4'-P-C4' energy: -34.012
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -51.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -578.482127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.482127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.482127 (E_RNA)
where:
Base-Base interactions energy: -392.914
where: short stacking energy: -181.224
Base-Backbone interact. energy: -0.766
local terms energy: -184.801982
where:
bonds (distance) C4'-P energy: -35.101
bonds (distance) P-C4' energy: -36.015
flat angles C4'-P-C4' energy: -37.194
flat angles P-C4'-P energy: -26.110
tors. eta vs tors. theta energy: -50.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -533.607385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.607385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.607385 (E_RNA)
where:
Base-Base interactions energy: -364.198
where: short stacking energy: -161.924
Base-Backbone interact. energy: -0.394
local terms energy: -169.014893
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -31.360
flat angles C4'-P-C4' energy: -36.802
flat angles P-C4'-P energy: -23.131
tors. eta vs tors. theta energy: -44.823
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: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -516.258199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.258199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.258199 (E_RNA)
where:
Base-Base interactions energy: -351.927
where: short stacking energy: -156.934
Base-Backbone interact. energy: -0.098
local terms energy: -164.232608
where:
bonds (distance) C4'-P energy: -32.373
bonds (distance) P-C4' energy: -25.532
flat angles C4'-P-C4' energy: -33.321
flat angles P-C4'-P energy: -25.490
tors. eta vs tors. theta energy: -47.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -488.082273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.082273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.082273 (E_RNA)
where:
Base-Base interactions energy: -330.843
where: short stacking energy: -152.905
Base-Backbone interact. energy: -1.276
local terms energy: -155.963643
where:
bonds (distance) C4'-P energy: -29.947
bonds (distance) P-C4' energy: -26.237
flat angles C4'-P-C4' energy: -31.718
flat angles P-C4'-P energy: -22.397
tors. eta vs tors. theta energy: -45.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -384.657213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.657213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.657213 (E_RNA)
where:
Base-Base interactions energy: -239.720
where: short stacking energy: -126.453
Base-Backbone interact. energy: 1.617
local terms energy: -146.553648
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -29.816
flat angles C4'-P-C4' energy: -33.851
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -32.819
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: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -284.999387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.999387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.999387 (E_RNA)
where:
Base-Base interactions energy: -163.212
where: short stacking energy: -100.198
Base-Backbone interact. energy: -1.058
local terms energy: -120.730212
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -27.344
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -26.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -334.439294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.439294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.439294 (E_RNA)
where:
Base-Base interactions energy: -217.034
where: short stacking energy: -102.329
Base-Backbone interact. energy: -0.670
local terms energy: -116.735231
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -29.567
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -20.189
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: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -281.171442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.171442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.171442 (E_RNA)
where:
Base-Base interactions energy: -158.829
where: short stacking energy: -99.705
Base-Backbone interact. energy: -0.134
local terms energy: -122.208455
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -23.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -145.673564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.673564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.673564 (E_RNA)
where:
Base-Base interactions energy: -41.571
where: short stacking energy: -36.866
Base-Backbone interact. energy: -0.622
local terms energy: -103.481449
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -25.022
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -585.884132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.884132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.884132 (E_RNA)
where:
Base-Base interactions energy: -397.774
where: short stacking energy: -181.476
Base-Backbone interact. energy: -0.626
local terms energy: -187.484409
where:
bonds (distance) C4'-P energy: -36.894
bonds (distance) P-C4' energy: -33.727
flat angles C4'-P-C4' energy: -35.787
flat angles P-C4'-P energy: -30.799
tors. eta vs tors. theta energy: -50.278
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: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -581.107322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.107322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.107322 (E_RNA)
where:
Base-Base interactions energy: -410.152
where: short stacking energy: -190.308
Base-Backbone interact. energy: -0.012
local terms energy: -170.943603
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -27.978
flat angles C4'-P-C4' energy: -34.277
flat angles P-C4'-P energy: -31.433
tors. eta vs tors. theta energy: -53.655
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: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -510.972435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.972435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.972435 (E_RNA)
where:
Base-Base interactions energy: -352.154
where: short stacking energy: -159.638
Base-Backbone interact. energy: -2.014
local terms energy: -156.803530
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -28.771
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -23.725
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: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -499.595316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.595316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.595316 (E_RNA)
where:
Base-Base interactions energy: -338.452
where: short stacking energy: -156.488
Base-Backbone interact. energy: 0.329
local terms energy: -161.472253
where:
bonds (distance) C4'-P energy: -32.811
bonds (distance) P-C4' energy: -28.606
flat angles C4'-P-C4' energy: -31.843
flat angles P-C4'-P energy: -25.073
tors. eta vs tors. theta energy: -43.140
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: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -482.780747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.780747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.780747 (E_RNA)
where:
Base-Base interactions energy: -323.156
where: short stacking energy: -152.685
Base-Backbone interact. energy: 1.536
local terms energy: -161.160138
where:
bonds (distance) C4'-P energy: -26.586
bonds (distance) P-C4' energy: -33.623
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -27.004
tors. eta vs tors. theta energy: -38.609
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: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -359.834058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.834058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.834058 (E_RNA)
where:
Base-Base interactions energy: -229.096
where: short stacking energy: -127.896
Base-Backbone interact. energy: 0.838
local terms energy: -131.575210
where:
bonds (distance) C4'-P energy: -28.240
bonds (distance) P-C4' energy: -35.072
flat angles C4'-P-C4' energy: -28.910
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -22.414
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: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -260.209555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.209555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.209555 (E_RNA)
where:
Base-Base interactions energy: -144.127
where: short stacking energy: -91.121
Base-Backbone interact. energy: 0.845
local terms energy: -116.927138
where:
bonds (distance) C4'-P energy: -26.679
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -31.493
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -18.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -292.128139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.128139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.128139 (E_RNA)
where:
Base-Base interactions energy: -181.828
where: short stacking energy: -88.778
Base-Backbone interact. energy: 0.188
local terms energy: -110.488345
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -28.102
flat angles C4'-P-C4' energy: -28.970
flat angles P-C4'-P energy: -18.766
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -244.049855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.049855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.049855 (E_RNA)
where:
Base-Base interactions energy: -128.239
where: short stacking energy: -60.512
Base-Backbone interact. energy: -0.414
local terms energy: -115.396289
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -31.578
flat angles P-C4'-P energy: -21.680
tors. eta vs tors. theta energy: -10.606
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: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -164.794067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.794067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.794067 (E_RNA)
where:
Base-Base interactions energy: -71.897
where: short stacking energy: -63.945
Base-Backbone interact. energy: 1.116
local terms energy: -94.013884
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -31.252
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -578.785757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.785757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.785757 (E_RNA)
where:
Base-Base interactions energy: -405.742
where: short stacking energy: -188.471
Base-Backbone interact. energy: -0.257
local terms energy: -172.787433
where:
bonds (distance) C4'-P energy: -29.659
bonds (distance) P-C4' energy: -30.399
flat angles C4'-P-C4' energy: -37.800
flat angles P-C4'-P energy: -25.567
tors. eta vs tors. theta energy: -49.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -580.556635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.556635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.556635 (E_RNA)
where:
Base-Base interactions energy: -404.345
where: short stacking energy: -169.897
Base-Backbone interact. energy: -0.343
local terms energy: -175.867859
where:
bonds (distance) C4'-P energy: -33.194
bonds (distance) P-C4' energy: -35.314
flat angles C4'-P-C4' energy: -32.263
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -51.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -509.483580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.483580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.483580 (E_RNA)
where:
Base-Base interactions energy: -344.650
where: short stacking energy: -164.165
Base-Backbone interact. energy: 1.730
local terms energy: -166.563500
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -38.654
flat angles P-C4'-P energy: -25.774
tors. eta vs tors. theta energy: -49.412
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: 478
Temperature: 1.050000
Total energy: -512.161367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.161367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.161367 (E_RNA)
where:
Base-Base interactions energy: -337.520
where: short stacking energy: -152.927
Base-Backbone interact. energy: -1.296
local terms energy: -173.345853
where:
bonds (distance) C4'-P energy: -34.680
bonds (distance) P-C4' energy: -36.100
flat angles C4'-P-C4' energy: -35.025
flat angles P-C4'-P energy: -21.834
tors. eta vs tors. theta energy: -45.706
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: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -491.296770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.296770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.296770 (E_RNA)
where:
Base-Base interactions energy: -332.656
where: short stacking energy: -165.435
Base-Backbone interact. energy: -0.041
local terms energy: -158.599657
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -30.449
flat angles P-C4'-P energy: -26.426
tors. eta vs tors. theta energy: -50.215
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: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -378.265410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.265410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.265410 (E_RNA)
where:
Base-Base interactions energy: -238.066
where: short stacking energy: -117.903
Base-Backbone interact. energy: -0.756
local terms energy: -139.443002
where:
bonds (distance) C4'-P energy: -32.308
bonds (distance) P-C4' energy: -27.404
flat angles C4'-P-C4' energy: -32.415
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -27.831
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: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -326.523140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.523140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.523140 (E_RNA)
where:
Base-Base interactions energy: -208.069
where: short stacking energy: -117.157
Base-Backbone interact. energy: 0.702
local terms energy: -119.155956
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -27.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -267.137069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.137069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.137069 (E_RNA)
where:
Base-Base interactions energy: -157.214
where: short stacking energy: -79.351
Base-Backbone interact. energy: 1.770
local terms energy: -111.692786
where:
bonds (distance) C4'-P energy: -27.244
bonds (distance) P-C4' energy: -30.856
flat angles C4'-P-C4' energy: -28.929
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -171.443900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.443900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.443900 (E_RNA)
where:
Base-Base interactions energy: -73.292
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.181
local terms energy: -97.970640
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -26.951
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -6.381
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: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -244.249932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.249932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.249932 (E_RNA)
where:
Base-Base interactions energy: -133.702
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.304
local terms energy: -110.243575
where:
bonds (distance) C4'-P energy: -30.252
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -30.107
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -2.772
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: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -583.412585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.412585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.412585 (E_RNA)
where:
Base-Base interactions energy: -403.801
where: short stacking energy: -184.780
Base-Backbone interact. energy: -1.070
local terms energy: -178.541831
where:
bonds (distance) C4'-P energy: -29.197
bonds (distance) P-C4' energy: -30.469
flat angles C4'-P-C4' energy: -39.914
flat angles P-C4'-P energy: -28.649
tors. eta vs tors. theta energy: -50.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -581.824447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.824447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.824447 (E_RNA)
where:
Base-Base interactions energy: -398.380
where: short stacking energy: -181.044
Base-Backbone interact. energy: -0.825
local terms energy: -182.619684
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -37.041
flat angles C4'-P-C4' energy: -36.608
flat angles P-C4'-P energy: -29.086
tors. eta vs tors. theta energy: -50.236
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: 479
Temperature: 1.000000
Total energy: -517.462292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.462292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.462292 (E_RNA)
where:
Base-Base interactions energy: -343.302
where: short stacking energy: -172.348
Base-Backbone interact. energy: -1.573
local terms energy: -172.587389
where:
bonds (distance) C4'-P energy: -28.612
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -37.950
flat angles P-C4'-P energy: -27.114
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: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -517.649480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.649480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.649480 (E_RNA)
where:
Base-Base interactions energy: -349.840
where: short stacking energy: -162.252
Base-Backbone interact. energy: -1.880
local terms energy: -165.929311
where:
bonds (distance) C4'-P energy: -32.134
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -31.538
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -45.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -481.357814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.357814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.357814 (E_RNA)
where:
Base-Base interactions energy: -327.163
where: short stacking energy: -160.237
Base-Backbone interact. energy: -1.628
local terms energy: -152.566803
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -25.286
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -42.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -409.450324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.450324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.450324 (E_RNA)
where:
Base-Base interactions energy: -266.164
where: short stacking energy: -139.227
Base-Backbone interact. energy: -1.178
local terms energy: -142.109009
where:
bonds (distance) C4'-P energy: -27.259
bonds (distance) P-C4' energy: -32.813
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -32.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -315.403859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.403859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.403859 (E_RNA)
where:
Base-Base interactions energy: -190.082
where: short stacking energy: -109.528
Base-Backbone interact. energy: -0.088
local terms energy: -125.234038
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -32.786
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -29.920
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: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -307.870642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.870642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.870642 (E_RNA)
where:
Base-Base interactions energy: -186.347
where: short stacking energy: -101.133
Base-Backbone interact. energy: 1.343
local terms energy: -122.866345
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -31.610
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -21.720
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: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -169.750180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.750180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.750180 (E_RNA)
where:
Base-Base interactions energy: -69.253
where: short stacking energy: -49.659
Base-Backbone interact. energy: -0.696
local terms energy: -99.801408
where:
bonds (distance) C4'-P energy: -28.595
bonds (distance) P-C4' energy: -34.124
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -2.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -184.507753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.507753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.507753 (E_RNA)
where:
Base-Base interactions energy: -82.317
where: short stacking energy: -53.947
Base-Backbone interact. energy: 0.309
local terms energy: -102.499784
where:
bonds (distance) C4'-P energy: -32.390
bonds (distance) P-C4' energy: -33.527
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -1.263
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: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -584.350036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.350036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.350036 (E_RNA)
where:
Base-Base interactions energy: -396.832
where: short stacking energy: -178.900
Base-Backbone interact. energy: -1.905
local terms energy: -185.612907
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -41.440
flat angles P-C4'-P energy: -28.629
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: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -577.626700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.626700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.626700 (E_RNA)
where:
Base-Base interactions energy: -402.658
where: short stacking energy: -182.413
Base-Backbone interact. energy: -0.378
local terms energy: -174.591508
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -33.950
flat angles C4'-P-C4' energy: -38.563
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -49.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -512.091570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.091570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.091570 (E_RNA)
where:
Base-Base interactions energy: -350.416
where: short stacking energy: -156.759
Base-Backbone interact. energy: -0.186
local terms energy: -161.489439
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -36.302
flat angles P-C4'-P energy: -24.265
tors. eta vs tors. theta energy: -46.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -519.558912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.558912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.558912 (E_RNA)
where:
Base-Base interactions energy: -353.061
where: short stacking energy: -166.680
Base-Backbone interact. energy: -0.091
local terms energy: -166.406843
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -34.042
flat angles C4'-P-C4' energy: -36.040
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -47.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -447.121836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.121836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.121836 (E_RNA)
where:
Base-Base interactions energy: -296.072
where: short stacking energy: -138.226
Base-Backbone interact. energy: -1.181
local terms energy: -149.868205
where:
bonds (distance) C4'-P energy: -28.988
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -36.329
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -40.368
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: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -483.577526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.577526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.577526 (E_RNA)
where:
Base-Base interactions energy: -323.316
where: short stacking energy: -145.734
Base-Backbone interact. energy: -0.343
local terms energy: -159.917623
where:
bonds (distance) C4'-P energy: -25.656
bonds (distance) P-C4' energy: -33.807
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -46.935
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: 7, replica: 7
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -313.843501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.843501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.843501 (E_RNA)
where:
Base-Base interactions energy: -184.393
where: short stacking energy: -118.593
Base-Backbone interact. energy: 0.763
local terms energy: -130.213598
where:
bonds (distance) C4'-P energy: -25.668
bonds (distance) P-C4' energy: -25.410
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -27.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -303.332916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.332916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.332916 (E_RNA)
where:
Base-Base interactions energy: -199.559
where: short stacking energy: -91.329
Base-Backbone interact. energy: -2.230
local terms energy: -101.543301
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -13.606
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: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -164.949865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.949865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.949865 (E_RNA)
where:
Base-Base interactions energy: -75.221
where: short stacking energy: -56.107
Base-Backbone interact. energy: -1.345
local terms energy: -88.383387
where:
bonds (distance) C4'-P energy: -25.797
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -1.752
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: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -156.355717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.355717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.355717 (E_RNA)
where:
Base-Base interactions energy: -60.942
where: short stacking energy: -58.741
Base-Backbone interact. energy: -0.372
local terms energy: -95.040994
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -3.141
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: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -582.242826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.242826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.242826 (E_RNA)
where:
Base-Base interactions energy: -402.517
where: short stacking energy: -178.122
Base-Backbone interact. energy: -0.415
local terms energy: -179.311175
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -41.219
flat angles P-C4'-P energy: -25.964
tors. eta vs tors. theta energy: -49.390
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: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -586.611677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.611677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.611677 (E_RNA)
where:
Base-Base interactions energy: -409.883
where: short stacking energy: -181.011
Base-Backbone interact. energy: -0.054
local terms energy: -176.674309
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -29.977
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: -52.461
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: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -517.798271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.798271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.798271 (E_RNA)
where:
Base-Base interactions energy: -361.080
where: short stacking energy: -162.214
Base-Backbone interact. energy: -0.011
local terms energy: -156.707405
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -37.180
flat angles P-C4'-P energy: -21.056
tors. eta vs tors. theta energy: -46.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -449.770700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.770700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.770700 (E_RNA)
where:
Base-Base interactions energy: -295.242
where: short stacking energy: -150.482
Base-Backbone interact. energy: -0.128
local terms energy: -154.401146
where:
bonds (distance) C4'-P energy: -28.248
bonds (distance) P-C4' energy: -33.264
flat angles C4'-P-C4' energy: -34.753
flat angles P-C4'-P energy: -20.135
tors. eta vs tors. theta energy: -38.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -507.028909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.028909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.028909 (E_RNA)
where:
Base-Base interactions energy: -330.657
where: short stacking energy: -163.478
Base-Backbone interact. energy: -1.163
local terms energy: -175.209151
where:
bonds (distance) C4'-P energy: -34.650
bonds (distance) P-C4' energy: -39.119
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -46.314
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: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -472.072409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.072409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.072409 (E_RNA)
where:
Base-Base interactions energy: -311.266
where: short stacking energy: -130.689
Base-Backbone interact. energy: -0.724
local terms energy: -160.082788
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -31.330
flat angles C4'-P-C4' energy: -34.268
flat angles P-C4'-P energy: -26.691
tors. eta vs tors. theta energy: -41.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -301.702155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.702155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.702155 (E_RNA)
where:
Base-Base interactions energy: -185.644
where: short stacking energy: -95.685
Base-Backbone interact. energy: -0.949
local terms energy: -115.108390
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -291.395941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.395941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.395941 (E_RNA)
where:
Base-Base interactions energy: -178.587
where: short stacking energy: -95.797
Base-Backbone interact. energy: 0.300
local terms energy: -113.109093
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -34.461
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -174.197031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.197031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.197031 (E_RNA)
where:
Base-Base interactions energy: -73.781
where: short stacking energy: -57.619
Base-Backbone interact. energy: 3.121
local terms energy: -103.536191
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -32.188
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -147.469939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.469939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.469939 (E_RNA)
where:
Base-Base interactions energy: -48.105
where: short stacking energy: -47.078
Base-Backbone interact. energy: -1.261
local terms energy: -98.104097
where:
bonds (distance) C4'-P energy: -29.831
bonds (distance) P-C4' energy: -31.491
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -592.324353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.324353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.324353 (E_RNA)
where:
Base-Base interactions energy: -412.591
where: short stacking energy: -177.687
Base-Backbone interact. energy: -0.308
local terms energy: -179.426193
where:
bonds (distance) C4'-P energy: -33.248
bonds (distance) P-C4' energy: -33.642
flat angles C4'-P-C4' energy: -33.975
flat angles P-C4'-P energy: -27.649
tors. eta vs tors. theta energy: -50.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -565.036985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.036985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.036985 (E_RNA)
where:
Base-Base interactions energy: -398.445
where: short stacking energy: -179.191
Base-Backbone interact. energy: -0.672
local terms energy: -165.919573
where:
bonds (distance) C4'-P energy: -31.207
bonds (distance) P-C4' energy: -29.115
flat angles C4'-P-C4' energy: -38.732
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -47.377
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: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -527.737312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.737312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.737312 (E_RNA)
where:
Base-Base interactions energy: -360.315
where: short stacking energy: -158.325
Base-Backbone interact. energy: -0.005
local terms energy: -167.416822
where:
bonds (distance) C4'-P energy: -36.902
bonds (distance) P-C4' energy: -35.155
flat angles C4'-P-C4' energy: -33.647
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -42.422
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: 482
Temperature: 1.050000
Total energy: -463.050026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.050026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.050026 (E_RNA)
where:
Base-Base interactions energy: -307.630
where: short stacking energy: -135.336
Base-Backbone interact. energy: -0.942
local terms energy: -154.478495
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -31.397
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -39.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -486.012625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.012625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.012625 (E_RNA)
where:
Base-Base interactions energy: -336.285
where: short stacking energy: -155.324
Base-Backbone interact. energy: -0.288
local terms energy: -149.439592
where:
bonds (distance) C4'-P energy: -31.634
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -22.357
tors. eta vs tors. theta energy: -39.209
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: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -509.155051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.155051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.155051 (E_RNA)
where:
Base-Base interactions energy: -358.001
where: short stacking energy: -165.913
Base-Backbone interact. energy: 0.370
local terms energy: -151.524525
where:
bonds (distance) C4'-P energy: -24.948
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -35.267
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -49.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -328.707569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.707569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.707569 (E_RNA)
where:
Base-Base interactions energy: -203.488
where: short stacking energy: -117.892
Base-Backbone interact. energy: 0.296
local terms energy: -125.515427
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -27.578
flat angles C4'-P-C4' energy: -28.063
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -280.059773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.059773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.059773 (E_RNA)
where:
Base-Base interactions energy: -175.197
where: short stacking energy: -96.865
Base-Backbone interact. energy: -0.764
local terms energy: -104.099501
where:
bonds (distance) C4'-P energy: -27.499
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -20.353
tors. eta vs tors. theta energy: -10.901
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: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -167.885279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.885279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.885279 (E_RNA)
where:
Base-Base interactions energy: -65.105
where: short stacking energy: -61.966
Base-Backbone interact. energy: 1.300
local terms energy: -104.079924
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -27.807
flat angles C4'-P-C4' energy: -21.851
flat angles P-C4'-P energy: -23.616
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -157.801846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.801846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.801846 (E_RNA)
where:
Base-Base interactions energy: -57.609
where: short stacking energy: -46.073
Base-Backbone interact. energy: -2.332
local terms energy: -97.860537
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -580.845009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.845009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.845009 (E_RNA)
where:
Base-Base interactions energy: -403.314
where: short stacking energy: -181.056
Base-Backbone interact. energy: -0.786
local terms energy: -176.744661
where:
bonds (distance) C4'-P energy: -36.409
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -37.597
flat angles P-C4'-P energy: -26.029
tors. eta vs tors. theta energy: -46.964
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: 483
Temperature: 0.950000
Total energy: -584.054727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.054727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.054727 (E_RNA)
where:
Base-Base interactions energy: -407.752
where: short stacking energy: -190.994
Base-Backbone interact. energy: -0.778
local terms energy: -175.525117
where:
bonds (distance) C4'-P energy: -23.268
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -39.338
flat angles P-C4'-P energy: -29.744
tors. eta vs tors. theta energy: -51.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -502.226306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.226306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.226306 (E_RNA)
where:
Base-Base interactions energy: -334.740
where: short stacking energy: -146.006
Base-Backbone interact. energy: -1.030
local terms energy: -166.456312
where:
bonds (distance) C4'-P energy: -35.202
bonds (distance) P-C4' energy: -33.558
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -26.311
tors. eta vs tors. theta energy: -41.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -486.163890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.163890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.163890 (E_RNA)
where:
Base-Base interactions energy: -333.725
where: short stacking energy: -151.027
Base-Backbone interact. energy: -0.451
local terms energy: -151.988038
where:
bonds (distance) C4'-P energy: -26.898
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -21.528
tors. eta vs tors. theta energy: -42.543
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: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -460.304956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.304956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.304956 (E_RNA)
where:
Base-Base interactions energy: -316.084
where: short stacking energy: -145.690
Base-Backbone interact. energy: -0.622
local terms energy: -143.599256
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -31.801
flat angles C4'-P-C4' energy: -31.399
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -42.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -487.420631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.420631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.420631 (E_RNA)
where:
Base-Base interactions energy: -342.770
where: short stacking energy: -147.530
Base-Backbone interact. energy: -0.338
local terms energy: -144.311904
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -45.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -333.889119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.889119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.889119 (E_RNA)
where:
Base-Base interactions energy: -216.354
where: short stacking energy: -126.672
Base-Backbone interact. energy: -0.194
local terms energy: -117.340913
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -30.937
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: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -284.472476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.472476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.472476 (E_RNA)
where:
Base-Base interactions energy: -165.720
where: short stacking energy: -92.854
Base-Backbone interact. energy: -0.561
local terms energy: -118.191502
where:
bonds (distance) C4'-P energy: -23.007
bonds (distance) P-C4' energy: -31.155
flat angles C4'-P-C4' energy: -23.649
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -17.699
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: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -165.464156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.464156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.464156 (E_RNA)
where:
Base-Base interactions energy: -65.039
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.429
local terms energy: -99.995899
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -29.952
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -157.987832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.987832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.987832 (E_RNA)
where:
Base-Base interactions energy: -60.724
where: short stacking energy: -43.525
Base-Backbone interact. energy: -1.791
local terms energy: -95.472422
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: 4.948
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: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -580.957361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.957361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.957361 (E_RNA)
where:
Base-Base interactions energy: -399.095
where: short stacking energy: -182.696
Base-Backbone interact. energy: -0.853
local terms energy: -181.009325
where:
bonds (distance) C4'-P energy: -37.735
bonds (distance) P-C4' energy: -36.658
flat angles C4'-P-C4' energy: -33.014
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -54.288
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: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -584.924880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.924880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.924880 (E_RNA)
where:
Base-Base interactions energy: -401.989
where: short stacking energy: -189.576
Base-Backbone interact. energy: -0.004
local terms energy: -182.931419
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -36.606
flat angles P-C4'-P energy: -28.337
tors. eta vs tors. theta energy: -53.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -492.591820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.591820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.591820 (E_RNA)
where:
Base-Base interactions energy: -334.667
where: short stacking energy: -151.862
Base-Backbone interact. energy: -0.206
local terms energy: -157.718256
where:
bonds (distance) C4'-P energy: -30.132
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -24.173
tors. eta vs tors. theta energy: -42.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -493.580940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.580940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.580940 (E_RNA)
where:
Base-Base interactions energy: -337.296
where: short stacking energy: -156.707
Base-Backbone interact. energy: -1.071
local terms energy: -155.213421
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -30.435
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -40.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -479.788517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.788517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.788517 (E_RNA)
where:
Base-Base interactions energy: -329.925
where: short stacking energy: -155.426
Base-Backbone interact. energy: 2.090
local terms energy: -151.953556
where:
bonds (distance) C4'-P energy: -27.239
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -32.552
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -37.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -440.203729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.203729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.203729 (E_RNA)
where:
Base-Base interactions energy: -301.464
where: short stacking energy: -137.790
Base-Backbone interact. energy: -0.947
local terms energy: -137.791936
where:
bonds (distance) C4'-P energy: -27.266
bonds (distance) P-C4' energy: -26.708
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -35.927
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: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -349.482051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.482051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.482051 (E_RNA)
where:
Base-Base interactions energy: -206.030
where: short stacking energy: -118.439
Base-Backbone interact. energy: -0.126
local terms energy: -143.325725
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -26.116
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -32.366
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: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -304.066037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.066037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.066037 (E_RNA)
where:
Base-Base interactions energy: -187.372
where: short stacking energy: -101.462
Base-Backbone interact. energy: 0.770
local terms energy: -117.463310
where:
bonds (distance) C4'-P energy: -32.255
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -14.399
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: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -170.460316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.460316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.460316 (E_RNA)
where:
Base-Base interactions energy: -71.402
where: short stacking energy: -55.129
Base-Backbone interact. energy: -0.713
local terms energy: -98.345136
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -30.971
flat angles C4'-P-C4' energy: -27.089
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -8.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -170.901110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.901110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.901110 (E_RNA)
where:
Base-Base interactions energy: -78.702
where: short stacking energy: -44.794
Base-Backbone interact. energy: -1.265
local terms energy: -90.934497
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: 2.080
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: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -578.192246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.192246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.192246 (E_RNA)
where:
Base-Base interactions energy: -392.278
where: short stacking energy: -177.612
Base-Backbone interact. energy: -0.247
local terms energy: -185.666864
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -38.716
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -53.614
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: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -587.280365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.280365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.280365 (E_RNA)
where:
Base-Base interactions energy: -408.968
where: short stacking energy: -174.168
Base-Backbone interact. energy: -0.110
local terms energy: -178.201533
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -34.211
flat angles C4'-P-C4' energy: -33.926
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -51.736
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: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -507.272785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.272785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.272785 (E_RNA)
where:
Base-Base interactions energy: -336.119
where: short stacking energy: -162.446
Base-Backbone interact. energy: -0.912
local terms energy: -170.241933
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -33.973
flat angles C4'-P-C4' energy: -37.706
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -47.207
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: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -511.750848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.750848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.750848 (E_RNA)
where:
Base-Base interactions energy: -355.171
where: short stacking energy: -160.654
Base-Backbone interact. energy: -0.023
local terms energy: -156.555968
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -33.784
flat angles P-C4'-P energy: -24.019
tors. eta vs tors. theta energy: -44.102
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: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -472.713289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.713289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.713289 (E_RNA)
where:
Base-Base interactions energy: -324.522
where: short stacking energy: -143.095
Base-Backbone interact. energy: 0.012
local terms energy: -148.203545
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -40.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -436.701134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.701134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.701134 (E_RNA)
where:
Base-Base interactions energy: -304.546
where: short stacking energy: -137.016
Base-Backbone interact. energy: -0.155
local terms energy: -132.000122
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -26.024
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -30.518
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: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -321.650435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.650435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.650435 (E_RNA)
where:
Base-Base interactions energy: -203.776
where: short stacking energy: -109.399
Base-Backbone interact. energy: -1.209
local terms energy: -116.665774
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -18.358
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -292.338338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.338338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.338338 (E_RNA)
where:
Base-Base interactions energy: -186.402
where: short stacking energy: -108.867
Base-Backbone interact. energy: 2.056
local terms energy: -107.992718
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -27.520
flat angles P-C4'-P energy: -19.284
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -174.037561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.037561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.037561 (E_RNA)
where:
Base-Base interactions energy: -62.529
where: short stacking energy: -43.793
Base-Backbone interact. energy: -0.514
local terms energy: -110.994881
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -25.053
flat angles C4'-P-C4' energy: -27.004
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -7.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -188.139813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.139813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.139813 (E_RNA)
where:
Base-Base interactions energy: -85.267
where: short stacking energy: -75.538
Base-Backbone interact. energy: -0.120
local terms energy: -102.753602
where:
bonds (distance) C4'-P energy: -33.859
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -9.296
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: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -579.727274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.727274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.727274 (E_RNA)
where:
Base-Base interactions energy: -398.608
where: short stacking energy: -170.027
Base-Backbone interact. energy: -0.177
local terms energy: -180.942384
where:
bonds (distance) C4'-P energy: -34.942
bonds (distance) P-C4' energy: -36.387
flat angles C4'-P-C4' energy: -34.498
flat angles P-C4'-P energy: -27.065
tors. eta vs tors. theta energy: -48.051
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: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -567.374637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.374637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.374637 (E_RNA)
where:
Base-Base interactions energy: -393.802
where: short stacking energy: -181.043
Base-Backbone interact. energy: -0.227
local terms energy: -173.346245
where:
bonds (distance) C4'-P energy: -27.460
bonds (distance) P-C4' energy: -36.682
flat angles C4'-P-C4' energy: -36.259
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -49.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -511.687148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.687148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.687148 (E_RNA)
where:
Base-Base interactions energy: -347.988
where: short stacking energy: -161.543
Base-Backbone interact. energy: -0.415
local terms energy: -163.284335
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -33.465
flat angles C4'-P-C4' energy: -35.588
flat angles P-C4'-P energy: -23.282
tors. eta vs tors. theta energy: -43.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -510.452914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.452914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.452914 (E_RNA)
where:
Base-Base interactions energy: -350.768
where: short stacking energy: -166.531
Base-Backbone interact. energy: -1.885
local terms energy: -157.799830
where:
bonds (distance) C4'-P energy: -29.456
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -33.636
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -44.822
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: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -486.549576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.549576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.549576 (E_RNA)
where:
Base-Base interactions energy: -334.037
where: short stacking energy: -171.614
Base-Backbone interact. energy: -1.249
local terms energy: -151.262833
where:
bonds (distance) C4'-P energy: -27.303
bonds (distance) P-C4' energy: -27.392
flat angles C4'-P-C4' energy: -32.777
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -40.789
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: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -423.509441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.509441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.509441 (E_RNA)
where:
Base-Base interactions energy: -288.842
where: short stacking energy: -140.060
Base-Backbone interact. energy: -1.053
local terms energy: -133.614627
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -25.580
flat angles C4'-P-C4' energy: -30.953
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -32.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -366.677856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.677856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.677856 (E_RNA)
where:
Base-Base interactions energy: -229.980
where: short stacking energy: -105.340
Base-Backbone interact. energy: -0.450
local terms energy: -136.247223
where:
bonds (distance) C4'-P energy: -27.209
bonds (distance) P-C4' energy: -31.581
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -26.436
tors. eta vs tors. theta energy: -24.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -306.005077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.005077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.005077 (E_RNA)
where:
Base-Base interactions energy: -186.413
where: short stacking energy: -100.543
Base-Backbone interact. energy: -0.154
local terms energy: -119.438553
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -24.558
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: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -160.883977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.883977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.883977 (E_RNA)
where:
Base-Base interactions energy: -61.055
where: short stacking energy: -54.456
Base-Backbone interact. energy: -0.341
local terms energy: -99.488480
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -28.402
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -164.829236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.829236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.829236 (E_RNA)
where:
Base-Base interactions energy: -64.857
where: short stacking energy: -64.278
Base-Backbone interact. energy: 0.003
local terms energy: -99.975602
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -581.152346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.152346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.152346 (E_RNA)
where:
Base-Base interactions energy: -405.532
where: short stacking energy: -178.324
Base-Backbone interact. energy: -0.031
local terms energy: -175.589800
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -31.535
flat angles C4'-P-C4' energy: -36.149
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -49.049
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: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -587.342099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.342099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.342099 (E_RNA)
where:
Base-Base interactions energy: -408.807
where: short stacking energy: -177.061
Base-Backbone interact. energy: -0.134
local terms energy: -178.401664
where:
bonds (distance) C4'-P energy: -31.443
bonds (distance) P-C4' energy: -34.350
flat angles C4'-P-C4' energy: -36.253
flat angles P-C4'-P energy: -23.751
tors. eta vs tors. theta energy: -52.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -516.507342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.507342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.507342 (E_RNA)
where:
Base-Base interactions energy: -342.049
where: short stacking energy: -156.903
Base-Backbone interact. energy: -1.071
local terms energy: -173.387435
where:
bonds (distance) C4'-P energy: -35.398
bonds (distance) P-C4' energy: -35.042
flat angles C4'-P-C4' energy: -32.197
flat angles P-C4'-P energy: -25.499
tors. eta vs tors. theta energy: -45.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -511.163033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.163033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.163033 (E_RNA)
where:
Base-Base interactions energy: -350.031
where: short stacking energy: -161.335
Base-Backbone interact. energy: -0.556
local terms energy: -160.575866
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -32.969
flat angles C4'-P-C4' energy: -36.433
flat angles P-C4'-P energy: -26.984
tors. eta vs tors. theta energy: -41.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -470.731298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.731298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.731298 (E_RNA)
where:
Base-Base interactions energy: -312.843
where: short stacking energy: -150.234
Base-Backbone interact. energy: -0.244
local terms energy: -157.644251
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -34.416
flat angles C4'-P-C4' energy: -37.811
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -44.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -438.084814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.084814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.084814 (E_RNA)
where:
Base-Base interactions energy: -288.277
where: short stacking energy: -136.713
Base-Backbone interact. energy: -1.850
local terms energy: -147.957980
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -31.021
flat angles C4'-P-C4' energy: -26.414
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -359.962306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.962306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.962306 (E_RNA)
where:
Base-Base interactions energy: -238.760
where: short stacking energy: -121.486
Base-Backbone interact. energy: 0.328
local terms energy: -121.529768
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -32.777
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -25.720
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: 7
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -301.272152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.272152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.272152 (E_RNA)
where:
Base-Base interactions energy: -177.498
where: short stacking energy: -85.399
Base-Backbone interact. energy: -1.023
local terms energy: -122.752004
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -29.644
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -22.279
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: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -183.140399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.140399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.140399 (E_RNA)
where:
Base-Base interactions energy: -67.471
where: short stacking energy: -65.827
Base-Backbone interact. energy: -1.087
local terms energy: -114.581644
where:
bonds (distance) C4'-P energy: -31.912
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -156.592846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.592846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.592846 (E_RNA)
where:
Base-Base interactions energy: -64.664
where: short stacking energy: -61.093
Base-Backbone interact. energy: -0.572
local terms energy: -91.356936
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -1.545
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: 8
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -584.021146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.021146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.021146 (E_RNA)
where:
Base-Base interactions energy: -408.178
where: short stacking energy: -186.240
Base-Backbone interact. energy: -0.250
local terms energy: -175.593331
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -29.928
flat angles C4'-P-C4' energy: -34.285
flat angles P-C4'-P energy: -30.335
tors. eta vs tors. theta energy: -49.426
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: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -570.065889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.065889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.065889 (E_RNA)
where:
Base-Base interactions energy: -398.653
where: short stacking energy: -180.048
Base-Backbone interact. energy: -0.337
local terms energy: -171.075970
where:
bonds (distance) C4'-P energy: -25.726
bonds (distance) P-C4' energy: -30.897
flat angles C4'-P-C4' energy: -37.656
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -49.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -526.124844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.124844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.124844 (E_RNA)
where:
Base-Base interactions energy: -352.687
where: short stacking energy: -178.676
Base-Backbone interact. energy: -0.423
local terms energy: -173.015154
where:
bonds (distance) C4'-P energy: -34.156
bonds (distance) P-C4' energy: -30.742
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -24.680
tors. eta vs tors. theta energy: -51.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -508.469935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.469935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.469935 (E_RNA)
where:
Base-Base interactions energy: -336.533
where: short stacking energy: -156.179
Base-Backbone interact. energy: 3.023
local terms energy: -174.959264
where:
bonds (distance) C4'-P energy: -30.719
bonds (distance) P-C4' energy: -35.748
flat angles C4'-P-C4' energy: -35.699
flat angles P-C4'-P energy: -26.229
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: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -441.778848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.778848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.778848 (E_RNA)
where:
Base-Base interactions energy: -299.452
where: short stacking energy: -140.216
Base-Backbone interact. energy: 0.472
local terms energy: -142.798614
where:
bonds (distance) C4'-P energy: -25.604
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -29.429
flat angles P-C4'-P energy: -23.411
tors. eta vs tors. theta energy: -34.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -453.715147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.715147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.715147 (E_RNA)
where:
Base-Base interactions energy: -302.122
where: short stacking energy: -146.100
Base-Backbone interact. energy: -0.818
local terms energy: -150.774593
where:
bonds (distance) C4'-P energy: -24.761
bonds (distance) P-C4' energy: -28.023
flat angles C4'-P-C4' energy: -32.578
flat angles P-C4'-P energy: -24.979
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: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -349.414420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.414420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.414420 (E_RNA)
where:
Base-Base interactions energy: -219.060
where: short stacking energy: -114.830
Base-Backbone interact. energy: -1.337
local terms energy: -129.018078
where:
bonds (distance) C4'-P energy: -27.819
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -26.000
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -30.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -322.442725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.442725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.442725 (E_RNA)
where:
Base-Base interactions energy: -191.580
where: short stacking energy: -103.683
Base-Backbone interact. energy: 0.456
local terms energy: -131.319270
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -26.937
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -24.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -161.053256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.053256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.053256 (E_RNA)
where:
Base-Base interactions energy: -65.615
where: short stacking energy: -62.523
Base-Backbone interact. energy: -0.589
local terms energy: -94.849964
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -169.630901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.630901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.630901 (E_RNA)
where:
Base-Base interactions energy: -70.331
where: short stacking energy: -61.800
Base-Backbone interact. energy: -0.346
local terms energy: -98.953901
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -582.381418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.381418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.381418 (E_RNA)
where:
Base-Base interactions energy: -404.862
where: short stacking energy: -180.072
Base-Backbone interact. energy: -0.179
local terms energy: -177.340407
where:
bonds (distance) C4'-P energy: -31.649
bonds (distance) P-C4' energy: -33.651
flat angles C4'-P-C4' energy: -36.414
flat angles P-C4'-P energy: -26.440
tors. eta vs tors. theta energy: -49.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -579.356621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.356621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.356621 (E_RNA)
where:
Base-Base interactions energy: -405.149
where: short stacking energy: -175.630
Base-Backbone interact. energy: -0.417
local terms energy: -173.790692
where:
bonds (distance) C4'-P energy: -33.452
bonds (distance) P-C4' energy: -33.733
flat angles C4'-P-C4' energy: -37.062
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -46.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -524.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.300034 (E_RNA)
where:
Base-Base interactions energy: -357.017
where: short stacking energy: -170.045
Base-Backbone interact. energy: -0.612
local terms energy: -166.671096
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -32.891
flat angles C4'-P-C4' energy: -38.116
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -49.583
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: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -510.186889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.186889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.186889 (E_RNA)
where:
Base-Base interactions energy: -343.365
where: short stacking energy: -158.918
Base-Backbone interact. energy: -0.256
local terms energy: -166.566127
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -36.745
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -52.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -460.030714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.030714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.030714 (E_RNA)
where:
Base-Base interactions energy: -296.761
where: short stacking energy: -143.054
Base-Backbone interact. energy: -0.603
local terms energy: -162.666718
where:
bonds (distance) C4'-P energy: -35.878
bonds (distance) P-C4' energy: -27.060
flat angles C4'-P-C4' energy: -35.936
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: -40.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -455.663175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.663175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.663175 (E_RNA)
where:
Base-Base interactions energy: -311.760
where: short stacking energy: -151.799
Base-Backbone interact. energy: -1.131
local terms energy: -142.771887
where:
bonds (distance) C4'-P energy: -30.064
bonds (distance) P-C4' energy: -33.447
flat angles C4'-P-C4' energy: -24.265
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -36.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -334.598102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.598102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.598102 (E_RNA)
where:
Base-Base interactions energy: -198.303
where: short stacking energy: -110.264
Base-Backbone interact. energy: 0.087
local terms energy: -136.382420
where:
bonds (distance) C4'-P energy: -32.474
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -29.836
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -26.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -319.096192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.096192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.096192 (E_RNA)
where:
Base-Base interactions energy: -195.512
where: short stacking energy: -112.241
Base-Backbone interact. energy: -1.318
local terms energy: -122.266409
where:
bonds (distance) C4'-P energy: -29.815
bonds (distance) P-C4' energy: -28.053
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -163.104343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.104343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.104343 (E_RNA)
where:
Base-Base interactions energy: -65.132
where: short stacking energy: -61.800
Base-Backbone interact. energy: -0.369
local terms energy: -97.603179
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -31.165
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: 1.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -155.322492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.322492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.322492 (E_RNA)
where:
Base-Base interactions energy: -60.932
where: short stacking energy: -56.468
Base-Backbone interact. energy: -0.812
local terms energy: -93.578958
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -28.549
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: 2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -583.982621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.982621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.982621 (E_RNA)
where:
Base-Base interactions energy: -405.390
where: short stacking energy: -172.398
Base-Backbone interact. energy: -0.426
local terms energy: -178.166089
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -38.682
flat angles P-C4'-P energy: -25.403
tors. eta vs tors. theta energy: -51.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -582.260344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.260344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.260344 (E_RNA)
where:
Base-Base interactions energy: -410.277
where: short stacking energy: -180.283
Base-Backbone interact. energy: -0.974
local terms energy: -171.009080
where:
bonds (distance) C4'-P energy: -31.221
bonds (distance) P-C4' energy: -31.618
flat angles C4'-P-C4' energy: -35.255
flat angles P-C4'-P energy: -25.801
tors. eta vs tors. theta energy: -47.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -507.762814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.762814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.762814 (E_RNA)
where:
Base-Base interactions energy: -334.226
where: short stacking energy: -154.086
Base-Backbone interact. energy: -0.652
local terms energy: -172.885465
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -33.178
flat angles C4'-P-C4' energy: -35.771
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -48.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -508.576827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.576827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.576827 (E_RNA)
where:
Base-Base interactions energy: -340.655
where: short stacking energy: -167.673
Base-Backbone interact. energy: -0.958
local terms energy: -166.963499
where:
bonds (distance) C4'-P energy: -32.287
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -27.214
tors. eta vs tors. theta energy: -49.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -458.937010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.937010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.937010 (E_RNA)
where:
Base-Base interactions energy: -317.533
where: short stacking energy: -152.587
Base-Backbone interact. energy: -0.836
local terms energy: -140.567918
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -23.664
flat angles C4'-P-C4' energy: -32.999
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -37.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -438.092483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.092483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.092483 (E_RNA)
where:
Base-Base interactions energy: -288.796
where: short stacking energy: -146.889
Base-Backbone interact. energy: -1.022
local terms energy: -148.274812
where:
bonds (distance) C4'-P energy: -31.398
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -32.967
flat angles P-C4'-P energy: -27.778
tors. eta vs tors. theta energy: -35.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -357.991584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.991584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.991584 (E_RNA)
where:
Base-Base interactions energy: -213.911
where: short stacking energy: -106.313
Base-Backbone interact. energy: 2.058
local terms energy: -146.139109
where:
bonds (distance) C4'-P energy: -27.953
bonds (distance) P-C4' energy: -34.788
flat angles C4'-P-C4' energy: -34.702
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -27.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -310.691061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.691061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.691061 (E_RNA)
where:
Base-Base interactions energy: -185.891
where: short stacking energy: -103.246
Base-Backbone interact. energy: 0.368
local terms energy: -125.168494
where:
bonds (distance) C4'-P energy: -26.430
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -28.857
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -21.490
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: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -177.555836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.555836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.555836 (E_RNA)
where:
Base-Base interactions energy: -71.846
where: short stacking energy: -62.498
Base-Backbone interact. energy: 0.214
local terms energy: -105.923165
where:
bonds (distance) C4'-P energy: -25.450
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -24.001
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -9.790
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: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -186.437664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.437664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.437664 (E_RNA)
where:
Base-Base interactions energy: -82.529
where: short stacking energy: -63.673
Base-Backbone interact. energy: 1.704
local terms energy: -105.612249
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -26.587
flat angles C4'-P-C4' energy: -26.440
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -11.165
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: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -585.732043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.732043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.732043 (E_RNA)
where:
Base-Base interactions energy: -403.993
where: short stacking energy: -185.201
Base-Backbone interact. energy: -1.604
local terms energy: -180.134951
where:
bonds (distance) C4'-P energy: -28.446
bonds (distance) P-C4' energy: -33.764
flat angles C4'-P-C4' energy: -38.037
flat angles P-C4'-P energy: -27.376
tors. eta vs tors. theta energy: -52.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -575.882863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.882863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.882863 (E_RNA)
where:
Base-Base interactions energy: -398.979
where: short stacking energy: -183.787
Base-Backbone interact. energy: 1.358
local terms energy: -178.261866
where:
bonds (distance) C4'-P energy: -29.446
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -36.755
flat angles P-C4'-P energy: -26.523
tors. eta vs tors. theta energy: -52.576
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: 491
Temperature: 1.000000
Total energy: -529.312109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.312109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.312109 (E_RNA)
where:
Base-Base interactions energy: -361.019
where: short stacking energy: -169.829
Base-Backbone interact. energy: -2.800
local terms energy: -165.493119
where:
bonds (distance) C4'-P energy: -34.257
bonds (distance) P-C4' energy: -32.509
flat angles C4'-P-C4' energy: -34.905
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -42.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -511.361268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.361268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.361268 (E_RNA)
where:
Base-Base interactions energy: -346.961
where: short stacking energy: -166.869
Base-Backbone interact. energy: -1.443
local terms energy: -162.957179
where:
bonds (distance) C4'-P energy: -27.274
bonds (distance) P-C4' energy: -35.465
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -44.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -507.179273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.179273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.179273 (E_RNA)
where:
Base-Base interactions energy: -349.392
where: short stacking energy: -161.364
Base-Backbone interact. energy: -0.065
local terms energy: -157.722482
where:
bonds (distance) C4'-P energy: -27.067
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -35.646
flat angles P-C4'-P energy: -20.662
tors. eta vs tors. theta energy: -48.257
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: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -445.998770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.998770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.998770 (E_RNA)
where:
Base-Base interactions energy: -296.042
where: short stacking energy: -147.969
Base-Backbone interact. energy: 1.939
local terms energy: -151.896067
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -29.329
flat angles C4'-P-C4' energy: -39.344
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -34.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -353.538583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.538583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.538583 (E_RNA)
where:
Base-Base interactions energy: -217.998
where: short stacking energy: -107.464
Base-Backbone interact. energy: -1.315
local terms energy: -134.225895
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -31.548
flat angles C4'-P-C4' energy: -28.693
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -28.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -277.461315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.461315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.461315 (E_RNA)
where:
Base-Base interactions energy: -153.627
where: short stacking energy: -84.678
Base-Backbone interact. energy: -0.260
local terms energy: -123.574710
where:
bonds (distance) C4'-P energy: -26.179
bonds (distance) P-C4' energy: -29.864
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -20.277
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: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -177.890524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.890524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.890524 (E_RNA)
where:
Base-Base interactions energy: -82.774
where: short stacking energy: -81.945
Base-Backbone interact. energy: 0.814
local terms energy: -95.930712
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -23.650
flat angles C4'-P-C4' energy: -28.276
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -9.617
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: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -171.169250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.169250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.169250 (E_RNA)
where:
Base-Base interactions energy: -70.750
where: short stacking energy: -65.909
Base-Backbone interact. energy: 0.193
local terms energy: -100.612146
where:
bonds (distance) C4'-P energy: -28.866
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -8.177
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: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -587.629450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.629450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.629450 (E_RNA)
where:
Base-Base interactions energy: -402.353
where: short stacking energy: -176.576
Base-Backbone interact. energy: -0.931
local terms energy: -184.345376
where:
bonds (distance) C4'-P energy: -29.581
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -38.341
flat angles P-C4'-P energy: -29.473
tors. eta vs tors. theta energy: -49.318
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: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -588.880462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.880462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.880462 (E_RNA)
where:
Base-Base interactions energy: -406.910
where: short stacking energy: -189.995
Base-Backbone interact. energy: -0.117
local terms energy: -181.853355
where:
bonds (distance) C4'-P energy: -26.090
bonds (distance) P-C4' energy: -36.497
flat angles C4'-P-C4' energy: -41.271
flat angles P-C4'-P energy: -25.389
tors. eta vs tors. theta energy: -52.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -519.286783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.286783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.286783 (E_RNA)
where:
Base-Base interactions energy: -342.149
where: short stacking energy: -159.561
Base-Backbone interact. energy: -0.868
local terms energy: -176.269007
where:
bonds (distance) C4'-P energy: -33.367
bonds (distance) P-C4' energy: -35.268
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -27.378
tors. eta vs tors. theta energy: -46.681
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: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -508.204519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.204519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.204519 (E_RNA)
where:
Base-Base interactions energy: -351.492
where: short stacking energy: -162.106
Base-Backbone interact. energy: -0.409
local terms energy: -156.302702
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -39.541
flat angles P-C4'-P energy: -26.272
tors. eta vs tors. theta energy: -42.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -542.123590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.123590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.123590 (E_RNA)
where:
Base-Base interactions energy: -375.391
where: short stacking energy: -166.684
Base-Backbone interact. energy: -0.709
local terms energy: -166.023063
where:
bonds (distance) C4'-P energy: -31.692
bonds (distance) P-C4' energy: -27.770
flat angles C4'-P-C4' energy: -30.795
flat angles P-C4'-P energy: -25.560
tors. eta vs tors. theta energy: -50.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -440.252958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.252958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.252958 (E_RNA)
where:
Base-Base interactions energy: -288.132
where: short stacking energy: -144.386
Base-Backbone interact. energy: -0.749
local terms energy: -151.372283
where:
bonds (distance) C4'-P energy: -33.566
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -25.572
flat angles P-C4'-P energy: -22.433
tors. eta vs tors. theta energy: -40.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -369.965042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.965042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.965042 (E_RNA)
where:
Base-Base interactions energy: -224.352
where: short stacking energy: -116.402
Base-Backbone interact. energy: 0.933
local terms energy: -146.545745
where:
bonds (distance) C4'-P energy: -33.054
bonds (distance) P-C4' energy: -32.938
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -31.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -300.459888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.459888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.459888 (E_RNA)
where:
Base-Base interactions energy: -190.264
where: short stacking energy: -119.360
Base-Backbone interact. energy: -0.466
local terms energy: -109.729503
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -241.248267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.248267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.248267 (E_RNA)
where:
Base-Base interactions energy: -133.823
where: short stacking energy: -64.064
Base-Backbone interact. energy: -0.238
local terms energy: -107.187959
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -32.027
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -166.158137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.158137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.158137 (E_RNA)
where:
Base-Base interactions energy: -65.222
where: short stacking energy: -52.790
Base-Backbone interact. energy: -0.511
local terms energy: -100.425235
where:
bonds (distance) C4'-P energy: -28.070
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -579.363210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.363210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.363210 (E_RNA)
where:
Base-Base interactions energy: -397.720
where: short stacking energy: -176.963
Base-Backbone interact. energy: -0.512
local terms energy: -181.131543
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -35.827
flat angles C4'-P-C4' energy: -38.453
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -53.197
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: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -581.719615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.719615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.719615 (E_RNA)
where:
Base-Base interactions energy: -395.355
where: short stacking energy: -168.957
Base-Backbone interact. energy: -0.674
local terms energy: -185.690538
where:
bonds (distance) C4'-P energy: -35.178
bonds (distance) P-C4' energy: -31.899
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -29.133
tors. eta vs tors. theta energy: -52.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -529.561099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.561099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.561099 (E_RNA)
where:
Base-Base interactions energy: -355.533
where: short stacking energy: -178.849
Base-Backbone interact. energy: -0.845
local terms energy: -173.182796
where:
bonds (distance) C4'-P energy: -34.520
bonds (distance) P-C4' energy: -32.576
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -26.623
tors. eta vs tors. theta energy: -46.283
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: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -505.540746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.540746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.540746 (E_RNA)
where:
Base-Base interactions energy: -337.665
where: short stacking energy: -165.602
Base-Backbone interact. energy: 0.217
local terms energy: -168.093263
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -34.167
flat angles C4'-P-C4' energy: -37.675
flat angles P-C4'-P energy: -21.535
tors. eta vs tors. theta energy: -43.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -502.619734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.619734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.619734 (E_RNA)
where:
Base-Base interactions energy: -342.371
where: short stacking energy: -157.753
Base-Backbone interact. energy: -0.438
local terms energy: -159.810501
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -29.235
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -42.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -429.396269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.396269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.396269 (E_RNA)
where:
Base-Base interactions energy: -284.694
where: short stacking energy: -139.658
Base-Backbone interact. energy: 0.989
local terms energy: -145.691648
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -33.497
flat angles C4'-P-C4' energy: -26.867
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -36.440
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: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -370.043902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.043902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.043902 (E_RNA)
where:
Base-Base interactions energy: -242.596
where: short stacking energy: -129.511
Base-Backbone interact. energy: -0.876
local terms energy: -126.572071
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -26.561
flat angles C4'-P-C4' energy: -21.878
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -33.997
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: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -298.635889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.635889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.635889 (E_RNA)
where:
Base-Base interactions energy: -167.467
where: short stacking energy: -107.011
Base-Backbone interact. energy: -0.585
local terms energy: -130.584327
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -32.845
flat angles C4'-P-C4' energy: -28.960
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -26.265
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: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -220.640588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.640588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.640588 (E_RNA)
where:
Base-Base interactions energy: -110.993
where: short stacking energy: -80.638
Base-Backbone interact. energy: -0.817
local terms energy: -108.830451
where:
bonds (distance) C4'-P energy: -28.711
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -27.611
flat angles P-C4'-P energy: -17.615
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: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -145.590342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.590342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.590342 (E_RNA)
where:
Base-Base interactions energy: -53.908
where: short stacking energy: -38.111
Base-Backbone interact. energy: 0.075
local terms energy: -91.757802
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -32.730
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: 4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -581.078563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.078563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.078563 (E_RNA)
where:
Base-Base interactions energy: -414.300
where: short stacking energy: -179.215
Base-Backbone interact. energy: -0.023
local terms energy: -166.755217
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -33.886
flat angles C4'-P-C4' energy: -32.137
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -49.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -586.213600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.213600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.213600 (E_RNA)
where:
Base-Base interactions energy: -411.253
where: short stacking energy: -181.021
Base-Backbone interact. energy: -0.675
local terms energy: -174.285195
where:
bonds (distance) C4'-P energy: -32.556
bonds (distance) P-C4' energy: -34.342
flat angles C4'-P-C4' energy: -35.246
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -48.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -530.990413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.990413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.990413 (E_RNA)
where:
Base-Base interactions energy: -355.692
where: short stacking energy: -170.833
Base-Backbone interact. energy: -0.818
local terms energy: -174.480489
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -35.860
flat angles C4'-P-C4' energy: -35.727
flat angles P-C4'-P energy: -24.042
tors. eta vs tors. theta energy: -48.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -519.571349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.571349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.571349 (E_RNA)
where:
Base-Base interactions energy: -352.565
where: short stacking energy: -162.300
Base-Backbone interact. energy: -1.190
local terms energy: -165.816098
where:
bonds (distance) C4'-P energy: -32.250
bonds (distance) P-C4' energy: -28.893
flat angles C4'-P-C4' energy: -37.054
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: -48.596
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: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -500.475527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.475527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.475527 (E_RNA)
where:
Base-Base interactions energy: -348.296
where: short stacking energy: -156.531
Base-Backbone interact. energy: -0.216
local terms energy: -151.963658
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -32.364
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -45.088
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: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -421.904397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.904397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.904397 (E_RNA)
where:
Base-Base interactions energy: -278.369
where: short stacking energy: -125.204
Base-Backbone interact. energy: -0.996
local terms energy: -142.539140
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -27.649
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -37.489
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: 7
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -321.147476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.147476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.147476 (E_RNA)
where:
Base-Base interactions energy: -183.436
where: short stacking energy: -93.682
Base-Backbone interact. energy: 1.787
local terms energy: -139.498744
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -35.357
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -24.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -348.451265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.451265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.451265 (E_RNA)
where:
Base-Base interactions energy: -216.315
where: short stacking energy: -117.860
Base-Backbone interact. energy: -0.377
local terms energy: -131.758667
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -29.203
flat angles C4'-P-C4' energy: -35.523
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -28.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -215.335477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.335477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.335477 (E_RNA)
where:
Base-Base interactions energy: -113.223
where: short stacking energy: -68.822
Base-Backbone interact. energy: -0.477
local terms energy: -101.635285
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -29.824
flat angles C4'-P-C4' energy: -28.476
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -145.842897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.842897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.842897 (E_RNA)
where:
Base-Base interactions energy: -66.804
where: short stacking energy: -33.717
Base-Backbone interact. energy: 1.826
local terms energy: -80.864662
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: 2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -596.466019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.466019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.466019 (E_RNA)
where:
Base-Base interactions energy: -420.076
where: short stacking energy: -191.368
Base-Backbone interact. energy: -0.241
local terms energy: -176.148875
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -30.757
flat angles C4'-P-C4' energy: -36.368
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -52.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -576.966988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.966988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.966988 (E_RNA)
where:
Base-Base interactions energy: -395.449
where: short stacking energy: -175.754
Base-Backbone interact. energy: -2.712
local terms energy: -178.805986
where:
bonds (distance) C4'-P energy: -27.681
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -40.928
flat angles P-C4'-P energy: -25.789
tors. eta vs tors. theta energy: -49.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -523.422069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.422069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.422069 (E_RNA)
where:
Base-Base interactions energy: -359.420
where: short stacking energy: -171.404
Base-Backbone interact. energy: -1.188
local terms energy: -162.814064
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -41.427
flat angles P-C4'-P energy: -26.222
tors. eta vs tors. theta energy: -44.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -505.465323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.465323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.465323 (E_RNA)
where:
Base-Base interactions energy: -345.508
where: short stacking energy: -172.409
Base-Backbone interact. energy: 0.731
local terms energy: -160.688866
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -32.350
flat angles C4'-P-C4' energy: -35.469
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -45.376
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: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -486.784809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.784809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.784809 (E_RNA)
where:
Base-Base interactions energy: -329.081
where: short stacking energy: -162.877
Base-Backbone interact. energy: -0.110
local terms energy: -157.594135
where:
bonds (distance) C4'-P energy: -31.799
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -44.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -441.005434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.005434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.005434 (E_RNA)
where:
Base-Base interactions energy: -276.459
where: short stacking energy: -130.132
Base-Backbone interact. energy: -0.346
local terms energy: -164.200965
where:
bonds (distance) C4'-P energy: -33.178
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -39.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -320.950258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.950258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.950258 (E_RNA)
where:
Base-Base interactions energy: -199.667
where: short stacking energy: -109.463
Base-Backbone interact. energy: -1.341
local terms energy: -119.942277
where:
bonds (distance) C4'-P energy: -29.242
bonds (distance) P-C4' energy: -25.066
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -285.817378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.817378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.817378 (E_RNA)
where:
Base-Base interactions energy: -166.136
where: short stacking energy: -105.486
Base-Backbone interact. energy: -0.507
local terms energy: -119.174612
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -28.535
flat angles P-C4'-P energy: -19.753
tors. eta vs tors. theta energy: -22.852
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: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -184.391929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.391929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.391929 (E_RNA)
where:
Base-Base interactions energy: -103.150
where: short stacking energy: -62.389
Base-Backbone interact. energy: -1.142
local terms energy: -80.099149
where:
bonds (distance) C4'-P energy: -28.552
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -161.517745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.517745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.517745 (E_RNA)
where:
Base-Base interactions energy: -73.177
where: short stacking energy: -60.843
Base-Backbone interact. energy: 0.062
local terms energy: -88.402256
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -2.084
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: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -584.603672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.603672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.603672 (E_RNA)
where:
Base-Base interactions energy: -407.876
where: short stacking energy: -180.109
Base-Backbone interact. energy: -0.011
local terms energy: -176.716931
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -31.562
flat angles C4'-P-C4' energy: -37.903
flat angles P-C4'-P energy: -25.760
tors. eta vs tors. theta energy: -50.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -574.822642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.822642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.822642 (E_RNA)
where:
Base-Base interactions energy: -406.535
where: short stacking energy: -184.271
Base-Backbone interact. energy: -0.644
local terms energy: -167.644334
where:
bonds (distance) C4'-P energy: -27.660
bonds (distance) P-C4' energy: -31.989
flat angles C4'-P-C4' energy: -35.076
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -51.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -529.253955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.253955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.253955 (E_RNA)
where:
Base-Base interactions energy: -367.022
where: short stacking energy: -164.013
Base-Backbone interact. energy: -0.315
local terms energy: -161.916178
where:
bonds (distance) C4'-P energy: -24.719
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -36.308
flat angles P-C4'-P energy: -22.912
tors. eta vs tors. theta energy: -50.159
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: 4, replica: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -504.925343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.925343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.925343 (E_RNA)
where:
Base-Base interactions energy: -339.645
where: short stacking energy: -156.046
Base-Backbone interact. energy: -0.557
local terms energy: -164.723917
where:
bonds (distance) C4'-P energy: -28.625
bonds (distance) P-C4' energy: -30.194
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -27.994
tors. eta vs tors. theta energy: -42.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -491.291582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.291582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.291582 (E_RNA)
where:
Base-Base interactions energy: -325.758
where: short stacking energy: -162.019
Base-Backbone interact. energy: -0.085
local terms energy: -165.448752
where:
bonds (distance) C4'-P energy: -30.152
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -30.599
flat angles P-C4'-P energy: -23.830
tors. eta vs tors. theta energy: -48.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -470.734320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.734320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.734320 (E_RNA)
where:
Base-Base interactions energy: -317.857
where: short stacking energy: -143.542
Base-Backbone interact. energy: -0.990
local terms energy: -151.887360
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -28.229
flat angles C4'-P-C4' energy: -31.204
flat angles P-C4'-P energy: -23.956
tors. eta vs tors. theta energy: -38.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -342.669159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.669159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.669159 (E_RNA)
where:
Base-Base interactions energy: -205.534
where: short stacking energy: -108.235
Base-Backbone interact. energy: -0.076
local terms energy: -137.059241
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -36.547
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -32.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -329.282598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.282598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.282598 (E_RNA)
where:
Base-Base interactions energy: -203.923
where: short stacking energy: -119.443
Base-Backbone interact. energy: -0.079
local terms energy: -125.280665
where:
bonds (distance) C4'-P energy: -26.276
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -32.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -185.618783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.618783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.618783 (E_RNA)
where:
Base-Base interactions energy: -72.453
where: short stacking energy: -64.461
Base-Backbone interact. energy: 1.783
local terms energy: -114.948382
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -37.417
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -152.559364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.559364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.559364 (E_RNA)
where:
Base-Base interactions energy: -82.063
where: short stacking energy: -46.698
Base-Backbone interact. energy: 1.736
local terms energy: -72.232129
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -31.352
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: 6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -602.401848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.401848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.401848 (E_RNA)
where:
Base-Base interactions energy: -419.582
where: short stacking energy: -184.313
Base-Backbone interact. energy: -0.626
local terms energy: -182.194668
where:
bonds (distance) C4'-P energy: -31.214
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -39.934
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: -52.775
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: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -580.103661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.103661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.103661 (E_RNA)
where:
Base-Base interactions energy: -400.948
where: short stacking energy: -178.748
Base-Backbone interact. energy: -0.378
local terms energy: -178.777707
where:
bonds (distance) C4'-P energy: -33.616
bonds (distance) P-C4' energy: -32.146
flat angles C4'-P-C4' energy: -36.960
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -52.922
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: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -525.614855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.614855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.614855 (E_RNA)
where:
Base-Base interactions energy: -362.485
where: short stacking energy: -172.630
Base-Backbone interact. energy: -1.398
local terms energy: -161.731845
where:
bonds (distance) C4'-P energy: -29.906
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -37.051
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -49.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -508.570628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.570628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.570628 (E_RNA)
where:
Base-Base interactions energy: -358.509
where: short stacking energy: -164.487
Base-Backbone interact. energy: 1.835
local terms energy: -151.896656
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -28.228
flat angles C4'-P-C4' energy: -30.776
flat angles P-C4'-P energy: -25.570
tors. eta vs tors. theta energy: -46.663
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: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -486.999737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.999737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.999737 (E_RNA)
where:
Base-Base interactions energy: -332.513
where: short stacking energy: -152.874
Base-Backbone interact. energy: -0.356
local terms energy: -154.130769
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -29.195
flat angles C4'-P-C4' energy: -30.396
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -44.875
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: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -336.920747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.920747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.920747 (E_RNA)
where:
Base-Base interactions energy: -201.814
where: short stacking energy: -104.770
Base-Backbone interact. energy: 1.338
local terms energy: -136.444871
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -400.618316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.618316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.618316 (E_RNA)
where:
Base-Base interactions energy: -272.002
where: short stacking energy: -126.905
Base-Backbone interact. energy: -0.144
local terms energy: -128.472246
where:
bonds (distance) C4'-P energy: -23.740
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -32.184
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -30.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -340.373166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.373166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.373166 (E_RNA)
where:
Base-Base interactions energy: -206.850
where: short stacking energy: -110.237
Base-Backbone interact. energy: -0.395
local terms energy: -133.127731
where:
bonds (distance) C4'-P energy: -28.389
bonds (distance) P-C4' energy: -26.677
flat angles C4'-P-C4' energy: -28.482
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -30.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -173.467787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.467787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.467787 (E_RNA)
where:
Base-Base interactions energy: -68.504
where: short stacking energy: -44.848
Base-Backbone interact. energy: -0.452
local terms energy: -104.511170
where:
bonds (distance) C4'-P energy: -30.115
bonds (distance) P-C4' energy: -30.433
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -21.630
tors. eta vs tors. theta energy: 0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -186.529619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.529619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.529619 (E_RNA)
where:
Base-Base interactions energy: -87.990
where: short stacking energy: -56.150
Base-Backbone interact. energy: -0.679
local terms energy: -97.859811
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -31.801
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -611.873004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.873004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.873004 (E_RNA)
where:
Base-Base interactions energy: -423.321
where: short stacking energy: -183.801
Base-Backbone interact. energy: -0.010
local terms energy: -188.541598
where:
bonds (distance) C4'-P energy: -28.466
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -39.274
flat angles P-C4'-P energy: -30.023
tors. eta vs tors. theta energy: -55.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -572.000361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.000361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.000361 (E_RNA)
where:
Base-Base interactions energy: -402.451
where: short stacking energy: -184.320
Base-Backbone interact. energy: -1.194
local terms energy: -168.355655
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -31.495
flat angles C4'-P-C4' energy: -32.906
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: -48.993
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: 498
Temperature: 1.000000
Total energy: -520.979826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.979826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.979826 (E_RNA)
where:
Base-Base interactions energy: -355.751
where: short stacking energy: -156.955
Base-Backbone interact. energy: -1.184
local terms energy: -164.044311
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -35.590
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -47.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -492.322760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.322760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.322760 (E_RNA)
where:
Base-Base interactions energy: -337.811
where: short stacking energy: -164.162
Base-Backbone interact. energy: -0.102
local terms energy: -154.409342
where:
bonds (distance) C4'-P energy: -29.804
bonds (distance) P-C4' energy: -27.547
flat angles C4'-P-C4' energy: -27.150
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -46.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -503.033714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.033714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.033714 (E_RNA)
where:
Base-Base interactions energy: -345.903
where: short stacking energy: -160.867
Base-Backbone interact. energy: -0.536
local terms energy: -156.595321
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -39.014
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -42.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -365.422501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.422501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.422501 (E_RNA)
where:
Base-Base interactions energy: -241.282
where: short stacking energy: -117.594
Base-Backbone interact. energy: -0.409
local terms energy: -123.731920
where:
bonds (distance) C4'-P energy: -28.737
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -26.431
flat angles P-C4'-P energy: -21.612
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -402.618519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.618519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.618519 (E_RNA)
where:
Base-Base interactions energy: -263.706
where: short stacking energy: -121.959
Base-Backbone interact. energy: -0.205
local terms energy: -138.707528
where:
bonds (distance) C4'-P energy: -32.947
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -27.461
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: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -341.777513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.777513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.777513 (E_RNA)
where:
Base-Base interactions energy: -207.069
where: short stacking energy: -120.001
Base-Backbone interact. energy: -0.194
local terms energy: -134.514029
where:
bonds (distance) C4'-P energy: -22.571
bonds (distance) P-C4' energy: -33.485
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -21.594
tors. eta vs tors. theta energy: -31.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -163.772527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.772527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.772527 (E_RNA)
where:
Base-Base interactions energy: -60.196
where: short stacking energy: -58.951
Base-Backbone interact. energy: 0.978
local terms energy: -104.554993
where:
bonds (distance) C4'-P energy: -31.088
bonds (distance) P-C4' energy: -32.675
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -1.405
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: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -162.306450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.306450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.306450 (E_RNA)
where:
Base-Base interactions energy: -55.717
where: short stacking energy: -54.400
Base-Backbone interact. energy: -0.910
local terms energy: -105.679607
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -30.463
flat angles P-C4'-P energy: -17.816
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: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -596.373586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.373586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.373586 (E_RNA)
where:
Base-Base interactions energy: -416.530
where: short stacking energy: -190.179
Base-Backbone interact. energy: 1.372
local terms energy: -181.215385
where:
bonds (distance) C4'-P energy: -32.547
bonds (distance) P-C4' energy: -34.861
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: -50.786
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: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -577.996160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.996160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.996160 (E_RNA)
where:
Base-Base interactions energy: -395.135
where: short stacking energy: -183.668
Base-Backbone interact. energy: -0.369
local terms energy: -182.493048
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -36.658
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -28.079
tors. eta vs tors. theta energy: -54.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -522.243350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.243350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.243350 (E_RNA)
where:
Base-Base interactions energy: -355.200
where: short stacking energy: -169.167
Base-Backbone interact. energy: 1.579
local terms energy: -168.622680
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -33.394
flat angles C4'-P-C4' energy: -37.122
flat angles P-C4'-P energy: -25.326
tors. eta vs tors. theta energy: -47.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -503.640584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.640584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.640584 (E_RNA)
where:
Base-Base interactions energy: -349.924
where: short stacking energy: -158.008
Base-Backbone interact. energy: -2.346
local terms energy: -151.371373
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -27.222
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -47.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -485.124845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.124845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.124845 (E_RNA)
where:
Base-Base interactions energy: -317.440
where: short stacking energy: -144.976
Base-Backbone interact. energy: -0.761
local terms energy: -166.924235
where:
bonds (distance) C4'-P energy: -28.036
bonds (distance) P-C4' energy: -32.648
flat angles C4'-P-C4' energy: -37.131
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: -45.921
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: 6, replica: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -420.104911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.104911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.104911 (E_RNA)
where:
Base-Base interactions energy: -283.023
where: short stacking energy: -133.246
Base-Backbone interact. energy: -0.188
local terms energy: -136.894354
where:
bonds (distance) C4'-P energy: -23.951
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -30.896
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -35.355
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: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -415.019963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.019963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.019963 (E_RNA)
where:
Base-Base interactions energy: -258.670
where: short stacking energy: -152.227
Base-Backbone interact. energy: -0.545
local terms energy: -155.804355
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -31.472
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -20.297
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: 8, replica: 7
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -329.895040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.895040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.895040 (E_RNA)
where:
Base-Base interactions energy: -210.098
where: short stacking energy: -125.509
Base-Backbone interact. energy: 0.273
local terms energy: -120.070010
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -171.130540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.130540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.130540 (E_RNA)
where:
Base-Base interactions energy: -66.662
where: short stacking energy: -45.318
Base-Backbone interact. energy: -0.297
local terms energy: -104.172232
where:
bonds (distance) C4'-P energy: -33.115
bonds (distance) P-C4' energy: -26.497
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -167.386180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.386180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.386180 (E_RNA)
where:
Base-Base interactions energy: -64.175
where: short stacking energy: -50.340
Base-Backbone interact. energy: 0.198
local terms energy: -103.408887
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -37.039
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -584.792700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.792700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.792700 (E_RNA)
where:
Base-Base interactions energy: -413.039
where: short stacking energy: -196.569
Base-Backbone interact. energy: -0.663
local terms energy: -171.091298
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -31.180
flat angles C4'-P-C4' energy: -35.859
flat angles P-C4'-P energy: -22.263
tors. eta vs tors. theta energy: -50.826
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: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -584.322189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.322189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.322189 (E_RNA)
where:
Base-Base interactions energy: -404.415
where: short stacking energy: -179.060
Base-Backbone interact. energy: -0.845
local terms energy: -179.061685
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -28.963
flat angles C4'-P-C4' energy: -37.542
flat angles P-C4'-P energy: -25.948
tors. eta vs tors. theta energy: -52.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -526.694014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.694014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.694014 (E_RNA)
where:
Base-Base interactions energy: -357.994
where: short stacking energy: -166.075
Base-Backbone interact. energy: -3.058
local terms energy: -165.642022
where:
bonds (distance) C4'-P energy: -31.540
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: -50.862
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: 500
Temperature: 1.050000
Total energy: -513.903461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.903461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.903461 (E_RNA)
where:
Base-Base interactions energy: -348.458
where: short stacking energy: -168.660
Base-Backbone interact. energy: -0.064
local terms energy: -165.381858
where:
bonds (distance) C4'-P energy: -28.536
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -35.397
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: -43.842
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: 4
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -498.714692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.714692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.714692 (E_RNA)
where:
Base-Base interactions energy: -337.766
where: short stacking energy: -161.384
Base-Backbone interact. energy: -0.597
local terms energy: -160.351955
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -37.200
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -45.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -413.780802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.780802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.780802 (E_RNA)
where:
Base-Base interactions energy: -270.330
where: short stacking energy: -136.572
Base-Backbone interact. energy: -0.424
local terms energy: -143.026613
where:
bonds (distance) C4'-P energy: -26.048
bonds (distance) P-C4' energy: -28.326
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -31.685
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: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -368.346622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.346622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.346622 (E_RNA)
where:
Base-Base interactions energy: -233.943
where: short stacking energy: -129.538
Base-Backbone interact. energy: -0.978
local terms energy: -133.425756
where:
bonds (distance) C4'-P energy: -24.236
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -32.891
flat angles P-C4'-P energy: -24.201
tors. eta vs tors. theta energy: -27.873
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: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -268.170302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.170302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.170302 (E_RNA)
where:
Base-Base interactions energy: -156.672
where: short stacking energy: -106.873
Base-Backbone interact. energy: -0.168
local terms energy: -111.330341
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -168.716061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.716061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.716061 (E_RNA)
where:
Base-Base interactions energy: -69.664
where: short stacking energy: -59.880
Base-Backbone interact. energy: -0.243
local terms energy: -98.809191
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -30.329
flat angles C4'-P-C4' energy: -27.576
flat angles P-C4'-P energy: -19.060
tors. eta vs tors. theta energy: -3.849
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: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -168.586573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.586573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.586573 (E_RNA)
where:
Base-Base interactions energy: -69.014
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.324
local terms energy: -99.248241
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -33.916
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -585.304413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.304413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.304413 (E_RNA)
where:
Base-Base interactions energy: -399.717
where: short stacking energy: -184.499
Base-Backbone interact. energy: -0.858
local terms energy: -184.729031
where:
bonds (distance) C4'-P energy: -35.179
bonds (distance) P-C4' energy: -35.404
flat angles C4'-P-C4' energy: -36.331
flat angles P-C4'-P energy: -29.955
tors. eta vs tors. theta energy: -47.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -578.988037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.988037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.988037 (E_RNA)
where:
Base-Base interactions energy: -397.232
where: short stacking energy: -181.646
Base-Backbone interact. energy: -0.169
local terms energy: -181.587622
where:
bonds (distance) C4'-P energy: -33.419
bonds (distance) P-C4' energy: -32.503
flat angles C4'-P-C4' energy: -37.146
flat angles P-C4'-P energy: -31.245
tors. eta vs tors. theta energy: -47.275
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: 6
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -507.947839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.947839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.947839 (E_RNA)
where:
Base-Base interactions energy: -340.790
where: short stacking energy: -155.757
Base-Backbone interact. energy: 0.550
local terms energy: -167.707545
where:
bonds (distance) C4'-P energy: -30.981
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -48.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -497.176456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.176456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.176456 (E_RNA)
where:
Base-Base interactions energy: -332.681
where: short stacking energy: -139.742
Base-Backbone interact. energy: -0.489
local terms energy: -164.005700
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -29.547
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -28.125
tors. eta vs tors. theta energy: -40.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -500.683526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.683526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.683526 (E_RNA)
where:
Base-Base interactions energy: -337.169
where: short stacking energy: -151.513
Base-Backbone interact. energy: -0.726
local terms energy: -162.788353
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -33.068
flat angles C4'-P-C4' energy: -37.315
flat angles P-C4'-P energy: -22.180
tors. eta vs tors. theta energy: -45.257
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: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -453.640109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.640109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.640109 (E_RNA)
where:
Base-Base interactions energy: -309.484
where: short stacking energy: -156.584
Base-Backbone interact. energy: -0.331
local terms energy: -143.824657
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -31.086
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -38.831
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: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -325.204255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.204255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.204255 (E_RNA)
where:
Base-Base interactions energy: -193.733
where: short stacking energy: -105.376
Base-Backbone interact. energy: -0.853
local terms energy: -130.618055
where:
bonds (distance) C4'-P energy: -27.747
bonds (distance) P-C4' energy: -27.049
flat angles C4'-P-C4' energy: -31.405
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -21.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -251.558441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.558441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.558441 (E_RNA)
where:
Base-Base interactions energy: -152.278
where: short stacking energy: -95.509
Base-Backbone interact. energy: -0.070
local terms energy: -99.210551
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -13.162
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: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -165.181884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.181884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.181884 (E_RNA)
where:
Base-Base interactions energy: -69.343
where: short stacking energy: -50.008
Base-Backbone interact. energy: 0.291
local terms energy: -96.129990
where:
bonds (distance) C4'-P energy: -30.313
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: 0.412
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: 3
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -154.815986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.815986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.815986 (E_RNA)
where:
Base-Base interactions energy: -65.168
where: short stacking energy: -58.573
Base-Backbone interact. energy: -1.341
local terms energy: -88.307025
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -29.195
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: 1.240
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)
replica 8 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 34319534
moves confirmed later: 39890332
all moves confirmed: 74209866
percent of confirmed moves: 9.276233
current total energy: -553.647545
recalc. total energy: -553.647545
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 20621196
moves confirmed later: 21987464
all moves confirmed: 42608660
percent of confirmed moves: 5.326083
current total energy: -537.408080
recalc. total energy: -537.408080
replica 6 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 43631481
moves confirmed later: 51920513
all moves confirmed: 95551994
percent of confirmed moves: 11.943999
current total energy: -489.904216
recalc. total energy: -489.904216
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 22707182
moves confirmed later: 24622336
all moves confirmed: 47329518
percent of confirmed moves: 5.916190
current total energy: -429.409841
recalc. total energy: -429.409841
replica 2 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 28253038
moves confirmed later: 31843379
all moves confirmed: 60096417
percent of confirmed moves: 7.512052
current total energy: -393.663323
recalc. total energy: -393.663323
replica 5 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 25056563
moves confirmed later: 27582178
all moves confirmed: 52638741
percent of confirmed moves: 6.579843
current total energy: -317.320648
recalc. total energy: -317.320648
replica 7 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 48501593
moves confirmed later: 58309112
all moves confirmed: 106810705
percent of confirmed moves: 13.351338
current total energy: -202.038111
recalc. total energy: -202.038111
replica 10 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 31678728
moves confirmed later: 36275211
all moves confirmed: 67953939
percent of confirmed moves: 8.494242
current total energy: -263.316087
recalc. total energy: -263.316087
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 36828138
moves confirmed later: 43127131
all moves confirmed: 79955269
percent of confirmed moves: 9.994409
current total energy: -119.426521
recalc. total energy: -119.426521
replica 3 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 47448980
moves confirmed later: 56865132
all moves confirmed: 104314112
percent of confirmed moves: 13.039264
current total energy: -95.334207
recalc. total energy: -95.334207
out arg RESULTS//1/cln3-1b7becdb_01
Time of doing 8000000 iterations: 6243.895 seconds