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/2MIY-07c955fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2MIY-07c955fa/inputs/seq.fa: 1
curr_seq: _GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA
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 59 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: 300
n_atoms_counter: 300
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 59.000000 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/2MIY-07c955fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2MIY-07c955fa/inputs/seq.fa: 1
curr_seq: _GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA
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 59 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: 300
n_atoms_counter: 300
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 59.000000 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/2MIY-07c955fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2MIY-07c955fa/inputs/seq.fa: 1
curr_seq: _GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA
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 59 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: 300
n_atoms_counter: 300
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 59.000000 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/2MIY-07c955fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2MIY-07c955fa/inputs/seq.fa: 1
curr_seq: _GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA
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 59 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: 300
n_atoms_counter: 300
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 59.000000 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/2MIY-07c955fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2MIY-07c955fa/inputs/seq.fa: 1
curr_seq: _GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA
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 59 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: 300
n_atoms_counter: 300
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 59.000000 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/2MIY-07c955fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2MIY-07c955fa/inputs/seq.fa: 1
curr_seq: _GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA
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 59 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: 300
n_atoms_counter: 300
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 59.000000 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/2MIY-07c955fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2MIY-07c955fa/inputs/seq.fa: 1
curr_seq: _GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA
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 59 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: 300
n_atoms_counter: 300
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 59.000000 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/2MIY-07c955fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2MIY-07c955fa/inputs/seq.fa: 1
curr_seq: _GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA
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 59 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: 300
n_atoms_counter: 300
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 59.000000 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/2MIY-07c955fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2MIY-07c955fa/inputs/seq.fa: 1
curr_seq: _GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA
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 59 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: 300
n_atoms_counter: 300
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 59.000000 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/2MIY-07c955fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2MIY-07c955fa/inputs/seq.fa: 1
curr_seq: _GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUUGGUGCUUAGCUUCUUUCACCAAGCAUAUUACACGCGGAUAACCGCCAAAGGAGAA
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 59 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: 300
n_atoms_counter: 300
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 59.000000 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: -237.942614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.942614 (E_RNA)
where:
Base-Base interactions energy: -7.987
where: short stacking energy: -7.987
Base-Backbone interact. energy: -0.000
local terms energy: -229.955814
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -53.679
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -26.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -237.942614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.942614 (E_RNA)
where:
Base-Base interactions energy: -7.987
where: short stacking energy: -7.987
Base-Backbone interact. energy: -0.000
local terms energy: -229.955814
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -53.679
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -26.082
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -237.942614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.942614 (E_RNA)
where:
Base-Base interactions energy: -7.987
where: short stacking energy: -7.987
Base-Backbone interact. energy: -0.000
local terms energy: -229.955814
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -53.679
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -26.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -237.942614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.942614 (E_RNA)
where:
Base-Base interactions energy: -7.987
where: short stacking energy: -7.987
Base-Backbone interact. energy: -0.000
local terms energy: -229.955814
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -53.679
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -26.082
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: 1
Temperature: 1.100000
Total energy: -237.942614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.942614 (E_RNA)
where:
Base-Base interactions energy: -7.987
where: short stacking energy: -7.987
Base-Backbone interact. energy: -0.000
local terms energy: -229.955814
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -53.679
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -26.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -237.942614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.942614 (E_RNA)
where:
Base-Base interactions energy: -7.987
where: short stacking energy: -7.987
Base-Backbone interact. energy: -0.000
local terms energy: -229.955814
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -53.679
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -26.082
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -237.942614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.942614 (E_RNA)
where:
Base-Base interactions energy: -7.987
where: short stacking energy: -7.987
Base-Backbone interact. energy: -0.000
local terms energy: -229.955814
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -53.679
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -26.082
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -237.942614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.942614 (E_RNA)
where:
Base-Base interactions energy: -7.987
where: short stacking energy: -7.987
Base-Backbone interact. energy: -0.000
local terms energy: -229.955814
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -53.679
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -26.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -237.942614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.942614 (E_RNA)
where:
Base-Base interactions energy: -7.987
where: short stacking energy: -7.987
Base-Backbone interact. energy: -0.000
local terms energy: -229.955814
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -53.679
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -26.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -237.942614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.942614 (E_RNA)
where:
Base-Base interactions energy: -7.987
where: short stacking energy: -7.987
Base-Backbone interact. energy: -0.000
local terms energy: -229.955814
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -53.679
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -26.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -366.927340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.927340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.927340 (E_RNA)
where:
Base-Base interactions energy: -171.173
where: short stacking energy: -149.544
Base-Backbone interact. energy: -0.467
local terms energy: -195.287203
where:
bonds (distance) C4'-P energy: -45.122
bonds (distance) P-C4' energy: -34.804
flat angles C4'-P-C4' energy: -43.315
flat angles P-C4'-P energy: -31.816
tors. eta vs tors. theta energy: -40.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -326.585637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.585637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.585637 (E_RNA)
where:
Base-Base interactions energy: -176.118
where: short stacking energy: -119.100
Base-Backbone interact. energy: 0.838
local terms energy: -151.306460
where:
bonds (distance) C4'-P energy: -30.306
bonds (distance) P-C4' energy: -39.282
flat angles C4'-P-C4' energy: -37.743
flat angles P-C4'-P energy: -23.583
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -264.630595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.630595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.630595 (E_RNA)
where:
Base-Base interactions energy: -107.260
where: short stacking energy: -98.693
Base-Backbone interact. energy: -0.285
local terms energy: -157.085456
where:
bonds (distance) C4'-P energy: -38.577
bonds (distance) P-C4' energy: -36.806
flat angles C4'-P-C4' energy: -30.022
flat angles P-C4'-P energy: -29.840
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -290.763750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.763750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.763750 (E_RNA)
where:
Base-Base interactions energy: -124.343
where: short stacking energy: -104.713
Base-Backbone interact. energy: -0.229
local terms energy: -166.192630
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -39.668
flat angles C4'-P-C4' energy: -36.280
flat angles P-C4'-P energy: -31.697
tors. eta vs tors. theta energy: -24.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -266.184478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.184478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.184478 (E_RNA)
where:
Base-Base interactions energy: -105.684
where: short stacking energy: -86.669
Base-Backbone interact. energy: -0.296
local terms energy: -160.204214
where:
bonds (distance) C4'-P energy: -39.003
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -25.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -237.313624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.313624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.313624 (E_RNA)
where:
Base-Base interactions energy: -8.109
where: short stacking energy: -8.109
Base-Backbone interact. energy: -0.000
local terms energy: -229.204348
where:
bonds (distance) C4'-P energy: -57.207
bonds (distance) P-C4' energy: -53.672
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -49.478
tors. eta vs tors. theta energy: -26.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -237.313611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.313611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.313611 (E_RNA)
where:
Base-Base interactions energy: -8.109
where: short stacking energy: -8.109
Base-Backbone interact. energy: -0.000
local terms energy: -229.204348
where:
bonds (distance) C4'-P energy: -57.207
bonds (distance) P-C4' energy: -53.672
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -49.478
tors. eta vs tors. theta energy: -26.112
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: 2
Temperature: 1.250000
Total energy: -238.000323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.000323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.000323 (E_RNA)
where:
Base-Base interactions energy: -10.395
where: short stacking energy: -10.395
Base-Backbone interact. energy: -0.000
local terms energy: -227.605222
where:
bonds (distance) C4'-P energy: -56.118
bonds (distance) P-C4' energy: -53.418
flat angles C4'-P-C4' energy: -42.592
flat angles P-C4'-P energy: -49.431
tors. eta vs tors. theta energy: -26.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -237.676570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.676570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.676570 (E_RNA)
where:
Base-Base interactions energy: -10.395
where: short stacking energy: -10.395
Base-Backbone interact. energy: -0.000
local terms energy: -227.281402
where:
bonds (distance) C4'-P energy: -56.118
bonds (distance) P-C4' energy: -53.418
flat angles C4'-P-C4' energy: -42.268
flat angles P-C4'-P energy: -49.431
tors. eta vs tors. theta energy: -26.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -237.155337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.155337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.155337 (E_RNA)
where:
Base-Base interactions energy: -10.395
where: short stacking energy: -10.395
Base-Backbone interact. energy: -0.000
local terms energy: -226.760105
where:
bonds (distance) C4'-P energy: -56.118
bonds (distance) P-C4' energy: -52.897
flat angles C4'-P-C4' energy: -42.268
flat angles P-C4'-P energy: -49.431
tors. eta vs tors. theta energy: -26.046
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -368.296412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.296412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.296412 (E_RNA)
where:
Base-Base interactions energy: -190.586
where: short stacking energy: -138.513
Base-Backbone interact. energy: -0.506
local terms energy: -177.204793
where:
bonds (distance) C4'-P energy: -39.250
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -33.764
flat angles P-C4'-P energy: -34.405
tors. eta vs tors. theta energy: -30.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -393.051711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.051711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.051711 (E_RNA)
where:
Base-Base interactions energy: -231.851
where: short stacking energy: -110.103
Base-Backbone interact. energy: -0.959
local terms energy: -160.242058
where:
bonds (distance) C4'-P energy: -41.755
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -42.116
flat angles P-C4'-P energy: -19.049
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -283.743140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.743140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.743140 (E_RNA)
where:
Base-Base interactions energy: -134.098
where: short stacking energy: -111.796
Base-Backbone interact. energy: -0.433
local terms energy: -149.212073
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -39.633
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -273.587454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.587454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.587454 (E_RNA)
where:
Base-Base interactions energy: -141.626
where: short stacking energy: -62.088
Base-Backbone interact. energy: -0.725
local terms energy: -131.235693
where:
bonds (distance) C4'-P energy: -39.879
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -27.522
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -270.404071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.404071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.404071 (E_RNA)
where:
Base-Base interactions energy: -131.931
where: short stacking energy: -98.050
Base-Backbone interact. energy: -1.266
local terms energy: -137.207598
where:
bonds (distance) C4'-P energy: -32.452
bonds (distance) P-C4' energy: -35.809
flat angles C4'-P-C4' energy: -27.951
flat angles P-C4'-P energy: -27.799
tors. eta vs tors. theta energy: -13.196
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -255.215391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.215391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.215391 (E_RNA)
where:
Base-Base interactions energy: -140.590
where: short stacking energy: -66.485
Base-Backbone interact. energy: 0.217
local terms energy: -114.842720
where:
bonds (distance) C4'-P energy: -30.958
bonds (distance) P-C4' energy: -38.399
flat angles C4'-P-C4' energy: -34.107
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: 5.213
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -205.458901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.458901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.458901 (E_RNA)
where:
Base-Base interactions energy: -82.058
where: short stacking energy: -71.113
Base-Backbone interact. energy: -0.559
local terms energy: -122.841641
where:
bonds (distance) C4'-P energy: -26.446
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -23.373
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -199.547582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.547582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.547582 (E_RNA)
where:
Base-Base interactions energy: -72.079
where: short stacking energy: -66.295
Base-Backbone interact. energy: -0.585
local terms energy: -126.883236
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -39.933
flat angles C4'-P-C4' energy: -37.682
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -182.257164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.257164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.257164 (E_RNA)
where:
Base-Base interactions energy: -61.960
where: short stacking energy: -60.320
Base-Backbone interact. energy: -0.449
local terms energy: -119.848256
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -23.158
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -194.204638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.204638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.204638 (E_RNA)
where:
Base-Base interactions energy: -92.493
where: short stacking energy: -63.854
Base-Backbone interact. energy: -2.284
local terms energy: -99.427835
where:
bonds (distance) C4'-P energy: -25.595
bonds (distance) P-C4' energy: -29.671
flat angles C4'-P-C4' energy: -27.000
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -2.227
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: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -429.493142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.493142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.493142 (E_RNA)
where:
Base-Base interactions energy: -256.869
where: short stacking energy: -139.147
Base-Backbone interact. energy: 1.663
local terms energy: -174.287848
where:
bonds (distance) C4'-P energy: -38.107
bonds (distance) P-C4' energy: -34.962
flat angles C4'-P-C4' energy: -45.135
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: -29.360
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -384.279978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.279978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.279978 (E_RNA)
where:
Base-Base interactions energy: -211.019
where: short stacking energy: -142.429
Base-Backbone interact. energy: -1.992
local terms energy: -171.268779
where:
bonds (distance) C4'-P energy: -39.626
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -41.451
flat angles P-C4'-P energy: -21.727
tors. eta vs tors. theta energy: -33.892
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: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -362.514231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.514231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.514231 (E_RNA)
where:
Base-Base interactions energy: -216.607
where: short stacking energy: -97.618
Base-Backbone interact. energy: 2.359
local terms energy: -148.266408
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -48.144
flat angles C4'-P-C4' energy: -32.030
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -13.481
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: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -267.805719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.805719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.805719 (E_RNA)
where:
Base-Base interactions energy: -120.150
where: short stacking energy: -108.977
Base-Backbone interact. energy: 2.377
local terms energy: -150.032411
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -37.398
flat angles C4'-P-C4' energy: -38.518
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -313.424122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.424122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.424122 (E_RNA)
where:
Base-Base interactions energy: -162.537
where: short stacking energy: -100.164
Base-Backbone interact. energy: 0.966
local terms energy: -151.853405
where:
bonds (distance) C4'-P energy: -34.423
bonds (distance) P-C4' energy: -37.039
flat angles C4'-P-C4' energy: -36.891
flat angles P-C4'-P energy: -26.751
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -233.486322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.486322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.486322 (E_RNA)
where:
Base-Base interactions energy: -105.306
where: short stacking energy: -72.502
Base-Backbone interact. energy: -0.113
local terms energy: -128.068092
where:
bonds (distance) C4'-P energy: -23.797
bonds (distance) P-C4' energy: -34.723
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -23.894
tors. eta vs tors. theta energy: -10.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -245.683046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.683046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.683046 (E_RNA)
where:
Base-Base interactions energy: -119.897
where: short stacking energy: -80.471
Base-Backbone interact. energy: -1.402
local terms energy: -124.384382
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -29.707
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -25.068
tors. eta vs tors. theta energy: -11.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -227.584764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.584764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.584764 (E_RNA)
where:
Base-Base interactions energy: -112.021
where: short stacking energy: -61.118
Base-Backbone interact. energy: -2.915
local terms energy: -112.648495
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -29.351
flat angles C4'-P-C4' energy: -28.461
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -179.031780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.031780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.031780 (E_RNA)
where:
Base-Base interactions energy: -70.646
where: short stacking energy: -66.971
Base-Backbone interact. energy: 3.226
local terms energy: -111.612091
where:
bonds (distance) C4'-P energy: -28.356
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -29.426
flat angles P-C4'-P energy: -25.131
tors. eta vs tors. theta energy: -0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -174.795079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.795079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.795079 (E_RNA)
where:
Base-Base interactions energy: -68.076
where: short stacking energy: -66.459
Base-Backbone interact. energy: -0.367
local terms energy: -106.351595
where:
bonds (distance) C4'-P energy: -37.532
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -26.414
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -5.676
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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -440.008611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.008611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.008611 (E_RNA)
where:
Base-Base interactions energy: -263.700
where: short stacking energy: -144.571
Base-Backbone interact. energy: -0.368
local terms energy: -175.939964
where:
bonds (distance) C4'-P energy: -31.678
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -38.025
flat angles P-C4'-P energy: -31.844
tors. eta vs tors. theta energy: -37.070
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: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -431.215598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.215598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.215598 (E_RNA)
where:
Base-Base interactions energy: -265.744
where: short stacking energy: -130.212
Base-Backbone interact. energy: -0.062
local terms energy: -165.409738
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -38.987
flat angles C4'-P-C4' energy: -37.121
flat angles P-C4'-P energy: -28.209
tors. eta vs tors. theta energy: -26.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -343.556214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.556214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.556214 (E_RNA)
where:
Base-Base interactions energy: -176.872
where: short stacking energy: -126.355
Base-Backbone interact. energy: -0.721
local terms energy: -165.962810
where:
bonds (distance) C4'-P energy: -37.286
bonds (distance) P-C4' energy: -38.213
flat angles C4'-P-C4' energy: -40.376
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -30.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -339.087867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.087867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.087867 (E_RNA)
where:
Base-Base interactions energy: -180.993
where: short stacking energy: -109.357
Base-Backbone interact. energy: 0.808
local terms energy: -158.903081
where:
bonds (distance) C4'-P energy: -38.251
bonds (distance) P-C4' energy: -45.518
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -277.302923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.302923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.302923 (E_RNA)
where:
Base-Base interactions energy: -111.365
where: short stacking energy: -97.350
Base-Backbone interact. energy: -1.022
local terms energy: -164.916399
where:
bonds (distance) C4'-P energy: -37.843
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -35.376
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -25.708
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: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -276.577100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.577100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.577100 (E_RNA)
where:
Base-Base interactions energy: -126.098
where: short stacking energy: -87.955
Base-Backbone interact. energy: 0.894
local terms energy: -151.373737
where:
bonds (distance) C4'-P energy: -41.012
bonds (distance) P-C4' energy: -37.702
flat angles C4'-P-C4' energy: -35.759
flat angles P-C4'-P energy: -28.118
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -199.036125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.036125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.036125 (E_RNA)
where:
Base-Base interactions energy: -79.376
where: short stacking energy: -49.100
Base-Backbone interact. energy: -1.556
local terms energy: -118.103985
where:
bonds (distance) C4'-P energy: -38.862
bonds (distance) P-C4' energy: -34.161
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -21.465
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: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -237.296281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.296281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.296281 (E_RNA)
where:
Base-Base interactions energy: -100.876
where: short stacking energy: -78.958
Base-Backbone interact. energy: 0.538
local terms energy: -136.957660
where:
bonds (distance) C4'-P energy: -35.817
bonds (distance) P-C4' energy: -37.441
flat angles C4'-P-C4' energy: -31.515
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -10.925
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: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -222.417506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.417506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.417506 (E_RNA)
where:
Base-Base interactions energy: -106.853
where: short stacking energy: -74.981
Base-Backbone interact. energy: -0.950
local terms energy: -114.613930
where:
bonds (distance) C4'-P energy: -40.417
bonds (distance) P-C4' energy: -30.973
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: 6.283
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: 5
Temperature: 1.350000
Total energy: -176.637298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.637298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.637298 (E_RNA)
where:
Base-Base interactions energy: -71.773
where: short stacking energy: -65.098
Base-Backbone interact. energy: -1.191
local terms energy: -103.673022
where:
bonds (distance) C4'-P energy: -34.953
bonds (distance) P-C4' energy: -28.397
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -441.340640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.340640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.340640 (E_RNA)
where:
Base-Base interactions energy: -262.354
where: short stacking energy: -117.187
Base-Backbone interact. energy: -0.760
local terms energy: -178.226459
where:
bonds (distance) C4'-P energy: -38.437
bonds (distance) P-C4' energy: -39.679
flat angles C4'-P-C4' energy: -42.573
flat angles P-C4'-P energy: -32.261
tors. eta vs tors. theta energy: -25.277
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: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -428.948463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.948463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.948463 (E_RNA)
where:
Base-Base interactions energy: -246.143
where: short stacking energy: -126.559
Base-Backbone interact. energy: -0.312
local terms energy: -182.493671
where:
bonds (distance) C4'-P energy: -28.987
bonds (distance) P-C4' energy: -44.561
flat angles C4'-P-C4' energy: -46.653
flat angles P-C4'-P energy: -28.443
tors. eta vs tors. theta energy: -33.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -365.267504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.267504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.267504 (E_RNA)
where:
Base-Base interactions energy: -203.101
where: short stacking energy: -112.057
Base-Backbone interact. energy: -1.500
local terms energy: -160.666475
where:
bonds (distance) C4'-P energy: -34.603
bonds (distance) P-C4' energy: -41.710
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -28.172
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -324.852700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.852700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.852700 (E_RNA)
where:
Base-Base interactions energy: -176.639
where: short stacking energy: -114.307
Base-Backbone interact. energy: -1.652
local terms energy: -146.561055
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -31.842
flat angles C4'-P-C4' energy: -41.407
flat angles P-C4'-P energy: -26.084
tors. eta vs tors. theta energy: -20.689
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: 5, replica: 3
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -293.568031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.568031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.568031 (E_RNA)
where:
Base-Base interactions energy: -139.690
where: short stacking energy: -110.591
Base-Backbone interact. energy: 2.244
local terms energy: -156.121793
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -37.087
flat angles C4'-P-C4' energy: -42.450
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -26.751
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: 6
Temperature: 1.150000
Total energy: -286.929590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.929590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.929590 (E_RNA)
where:
Base-Base interactions energy: -154.450
where: short stacking energy: -86.552
Base-Backbone interact. energy: -0.843
local terms energy: -131.636749
where:
bonds (distance) C4'-P energy: -31.667
bonds (distance) P-C4' energy: -41.558
flat angles C4'-P-C4' energy: -28.740
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -9.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -280.430687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.430687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.430687 (E_RNA)
where:
Base-Base interactions energy: -147.570
where: short stacking energy: -72.874
Base-Backbone interact. energy: -0.628
local terms energy: -132.233317
where:
bonds (distance) C4'-P energy: -39.481
bonds (distance) P-C4' energy: -31.249
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -213.465918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.465918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.465918 (E_RNA)
where:
Base-Base interactions energy: -92.321
where: short stacking energy: -67.269
Base-Backbone interact. energy: 0.336
local terms energy: -121.481589
where:
bonds (distance) C4'-P energy: -32.066
bonds (distance) P-C4' energy: -38.644
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -190.064240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.064240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.064240 (E_RNA)
where:
Base-Base interactions energy: -82.295
where: short stacking energy: -58.128
Base-Backbone interact. energy: -0.596
local terms energy: -107.173272
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -30.562
flat angles C4'-P-C4' energy: -27.353
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -9.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -173.252022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.252022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.252022 (E_RNA)
where:
Base-Base interactions energy: -52.813
where: short stacking energy: -46.940
Base-Backbone interact. energy: -0.466
local terms energy: -119.973868
where:
bonds (distance) C4'-P energy: -30.074
bonds (distance) P-C4' energy: -38.785
flat angles C4'-P-C4' energy: -36.202
flat angles P-C4'-P energy: -16.898
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: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -454.179032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.179032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.179032 (E_RNA)
where:
Base-Base interactions energy: -277.375
where: short stacking energy: -137.214
Base-Backbone interact. energy: -0.857
local terms energy: -175.947181
where:
bonds (distance) C4'-P energy: -36.714
bonds (distance) P-C4' energy: -37.640
flat angles C4'-P-C4' energy: -40.573
flat angles P-C4'-P energy: -23.500
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: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -427.046547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.046547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.046547 (E_RNA)
where:
Base-Base interactions energy: -259.968
where: short stacking energy: -133.895
Base-Backbone interact. energy: -1.619
local terms energy: -165.459146
where:
bonds (distance) C4'-P energy: -36.365
bonds (distance) P-C4' energy: -41.535
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -24.780
tors. eta vs tors. theta energy: -29.385
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: 7
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -357.153783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.153783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.153783 (E_RNA)
where:
Base-Base interactions energy: -193.861
where: short stacking energy: -112.847
Base-Backbone interact. energy: -0.701
local terms energy: -162.591621
where:
bonds (distance) C4'-P energy: -38.144
bonds (distance) P-C4' energy: -34.915
flat angles C4'-P-C4' energy: -37.811
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -25.233
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: 4, replica: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -425.757512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.757512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.757512 (E_RNA)
where:
Base-Base interactions energy: -263.220
where: short stacking energy: -119.500
Base-Backbone interact. energy: -1.575
local terms energy: -160.962421
where:
bonds (distance) C4'-P energy: -27.427
bonds (distance) P-C4' energy: -40.165
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -26.331
tors. eta vs tors. theta energy: -27.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -326.666565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.666565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.666565 (E_RNA)
where:
Base-Base interactions energy: -185.066
where: short stacking energy: -101.206
Base-Backbone interact. energy: -0.798
local terms energy: -140.803200
where:
bonds (distance) C4'-P energy: -32.088
bonds (distance) P-C4' energy: -40.723
flat angles C4'-P-C4' energy: -29.464
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -313.093674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.093674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.093674 (E_RNA)
where:
Base-Base interactions energy: -184.020
where: short stacking energy: -72.657
Base-Backbone interact. energy: -1.509
local terms energy: -127.564209
where:
bonds (distance) C4'-P energy: -25.853
bonds (distance) P-C4' energy: -38.484
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -22.629
tors. eta vs tors. theta energy: -11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -255.368728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.368728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.368728 (E_RNA)
where:
Base-Base interactions energy: -117.813
where: short stacking energy: -55.016
Base-Backbone interact. energy: 0.712
local terms energy: -138.267939
where:
bonds (distance) C4'-P energy: -35.696
bonds (distance) P-C4' energy: -42.569
flat angles C4'-P-C4' energy: -38.027
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -2.463
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: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -195.095046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.095046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.095046 (E_RNA)
where:
Base-Base interactions energy: -73.390
where: short stacking energy: -57.801
Base-Backbone interact. energy: -2.061
local terms energy: -119.644377
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -45.291
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -1.018
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: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -184.512578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.512578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.512578 (E_RNA)
where:
Base-Base interactions energy: -76.360
where: short stacking energy: -58.000
Base-Backbone interact. energy: 3.283
local terms energy: -111.434876
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -33.794
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -185.390469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.390469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.390469 (E_RNA)
where:
Base-Base interactions energy: -73.897
where: short stacking energy: -65.049
Base-Backbone interact. energy: -0.961
local terms energy: -110.531648
where:
bonds (distance) C4'-P energy: -30.153
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -33.743
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -3.306
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: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -465.682695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.682695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.682695 (E_RNA)
where:
Base-Base interactions energy: -271.907
where: short stacking energy: -154.658
Base-Backbone interact. energy: -0.927
local terms energy: -192.848709
where:
bonds (distance) C4'-P energy: -41.570
bonds (distance) P-C4' energy: -35.881
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: -43.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -462.836473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.836473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.836473 (E_RNA)
where:
Base-Base interactions energy: -297.008
where: short stacking energy: -140.963
Base-Backbone interact. energy: -0.428
local terms energy: -165.400036
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -38.687
flat angles C4'-P-C4' energy: -36.676
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -29.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -412.627450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.627450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.627450 (E_RNA)
where:
Base-Base interactions energy: -269.615
where: short stacking energy: -133.448
Base-Backbone interact. energy: -1.146
local terms energy: -141.866501
where:
bonds (distance) C4'-P energy: -37.114
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -39.755
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -22.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -330.798181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.798181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.798181 (E_RNA)
where:
Base-Base interactions energy: -173.193
where: short stacking energy: -108.038
Base-Backbone interact. energy: 0.628
local terms energy: -158.232875
where:
bonds (distance) C4'-P energy: -34.843
bonds (distance) P-C4' energy: -35.492
flat angles C4'-P-C4' energy: -35.214
flat angles P-C4'-P energy: -28.635
tors. eta vs tors. theta energy: -24.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -382.279819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.279819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.279819 (E_RNA)
where:
Base-Base interactions energy: -242.757
where: short stacking energy: -103.596
Base-Backbone interact. energy: 0.451
local terms energy: -139.973831
where:
bonds (distance) C4'-P energy: -31.584
bonds (distance) P-C4' energy: -38.776
flat angles C4'-P-C4' energy: -35.617
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -14.819
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: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -324.882731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.882731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.882731 (E_RNA)
where:
Base-Base interactions energy: -172.047
where: short stacking energy: -99.931
Base-Backbone interact. energy: -0.149
local terms energy: -152.685846
where:
bonds (distance) C4'-P energy: -38.140
bonds (distance) P-C4' energy: -34.430
flat angles C4'-P-C4' energy: -36.254
flat angles P-C4'-P energy: -23.437
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -221.806903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.806903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.806903 (E_RNA)
where:
Base-Base interactions energy: -90.102
where: short stacking energy: -72.409
Base-Backbone interact. energy: 1.015
local terms energy: -132.720015
where:
bonds (distance) C4'-P energy: -36.590
bonds (distance) P-C4' energy: -36.904
flat angles C4'-P-C4' energy: -37.960
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -241.136244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.136244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.136244 (E_RNA)
where:
Base-Base interactions energy: -120.977
where: short stacking energy: -74.095
Base-Backbone interact. energy: 1.954
local terms energy: -122.112912
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -37.299
flat angles C4'-P-C4' energy: -26.096
flat angles P-C4'-P energy: -24.095
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: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -184.409525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.409525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.409525 (E_RNA)
where:
Base-Base interactions energy: -64.941
where: short stacking energy: -53.952
Base-Backbone interact. energy: 0.147
local terms energy: -119.615907
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -41.638
flat angles C4'-P-C4' energy: -29.387
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -175.116232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.116232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.116232 (E_RNA)
where:
Base-Base interactions energy: -63.487
where: short stacking energy: -58.927
Base-Backbone interact. energy: 0.557
local terms energy: -112.185841
where:
bonds (distance) C4'-P energy: -35.481
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -495.091823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.091823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.091823 (E_RNA)
where:
Base-Base interactions energy: -304.412
where: short stacking energy: -160.628
Base-Backbone interact. energy: -0.392
local terms energy: -190.287895
where:
bonds (distance) C4'-P energy: -33.072
bonds (distance) P-C4' energy: -46.356
flat angles C4'-P-C4' energy: -39.236
flat angles P-C4'-P energy: -33.965
tors. eta vs tors. theta energy: -37.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -427.883363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.883363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.883363 (E_RNA)
where:
Base-Base interactions energy: -265.456
where: short stacking energy: -134.275
Base-Backbone interact. energy: -1.115
local terms energy: -161.311709
where:
bonds (distance) C4'-P energy: -44.620
bonds (distance) P-C4' energy: -33.420
flat angles C4'-P-C4' energy: -43.024
flat angles P-C4'-P energy: -21.971
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -423.056701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.056701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.056701 (E_RNA)
where:
Base-Base interactions energy: -267.413
where: short stacking energy: -112.525
Base-Backbone interact. energy: -1.124
local terms energy: -154.520060
where:
bonds (distance) C4'-P energy: -38.085
bonds (distance) P-C4' energy: -41.007
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -20.102
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: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -422.110625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.110625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.110625 (E_RNA)
where:
Base-Base interactions energy: -258.679
where: short stacking energy: -136.759
Base-Backbone interact. energy: -0.734
local terms energy: -162.697714
where:
bonds (distance) C4'-P energy: -39.139
bonds (distance) P-C4' energy: -40.647
flat angles C4'-P-C4' energy: -33.141
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -27.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -305.975916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.975916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.975916 (E_RNA)
where:
Base-Base interactions energy: -157.860
where: short stacking energy: -107.368
Base-Backbone interact. energy: -0.192
local terms energy: -147.924599
where:
bonds (distance) C4'-P energy: -38.596
bonds (distance) P-C4' energy: -31.438
flat angles C4'-P-C4' energy: -37.480
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -20.994
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: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -315.534918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.534918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.534918 (E_RNA)
where:
Base-Base interactions energy: -185.544
where: short stacking energy: -98.770
Base-Backbone interact. energy: -0.023
local terms energy: -129.968211
where:
bonds (distance) C4'-P energy: -29.075
bonds (distance) P-C4' energy: -42.786
flat angles C4'-P-C4' energy: -29.204
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -273.181846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.181846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.181846 (E_RNA)
where:
Base-Base interactions energy: -134.974
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.332
local terms energy: -137.876306
where:
bonds (distance) C4'-P energy: -30.504
bonds (distance) P-C4' energy: -40.409
flat angles C4'-P-C4' energy: -31.502
flat angles P-C4'-P energy: -27.270
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: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -235.909024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.909024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.909024 (E_RNA)
where:
Base-Base interactions energy: -103.023
where: short stacking energy: -64.598
Base-Backbone interact. energy: -0.502
local terms energy: -132.383226
where:
bonds (distance) C4'-P energy: -40.530
bonds (distance) P-C4' energy: -38.210
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -202.671670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.671670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.671670 (E_RNA)
where:
Base-Base interactions energy: -90.182
where: short stacking energy: -62.222
Base-Backbone interact. energy: -0.834
local terms energy: -111.655857
where:
bonds (distance) C4'-P energy: -29.471
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -22.429
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -173.651230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.651230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.651230 (E_RNA)
where:
Base-Base interactions energy: -63.118
where: short stacking energy: -50.131
Base-Backbone interact. energy: 0.165
local terms energy: -110.699098
where:
bonds (distance) C4'-P energy: -32.671
bonds (distance) P-C4' energy: -42.734
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: 6.223
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: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -513.316235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.316235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.316235 (E_RNA)
where:
Base-Base interactions energy: -321.418
where: short stacking energy: -158.392
Base-Backbone interact. energy: -0.475
local terms energy: -191.423576
where:
bonds (distance) C4'-P energy: -43.255
bonds (distance) P-C4' energy: -42.439
flat angles C4'-P-C4' energy: -41.876
flat angles P-C4'-P energy: -23.717
tors. eta vs tors. theta energy: -40.137
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -481.947027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.947027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.947027 (E_RNA)
where:
Base-Base interactions energy: -298.602
where: short stacking energy: -146.181
Base-Backbone interact. energy: -0.026
local terms energy: -183.319651
where:
bonds (distance) C4'-P energy: -36.460
bonds (distance) P-C4' energy: -40.286
flat angles C4'-P-C4' energy: -42.408
flat angles P-C4'-P energy: -25.103
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: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -470.145637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.145637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.145637 (E_RNA)
where:
Base-Base interactions energy: -288.040
where: short stacking energy: -122.386
Base-Backbone interact. energy: -0.554
local terms energy: -181.551634
where:
bonds (distance) C4'-P energy: -45.184
bonds (distance) P-C4' energy: -41.693
flat angles C4'-P-C4' energy: -41.644
flat angles P-C4'-P energy: -23.415
tors. eta vs tors. theta energy: -29.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -404.740543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.740543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.740543 (E_RNA)
where:
Base-Base interactions energy: -253.307
where: short stacking energy: -131.161
Base-Backbone interact. energy: 0.344
local terms energy: -151.777359
where:
bonds (distance) C4'-P energy: -28.397
bonds (distance) P-C4' energy: -31.899
flat angles C4'-P-C4' energy: -40.828
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -34.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -333.445062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.445062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.445062 (E_RNA)
where:
Base-Base interactions energy: -199.341
where: short stacking energy: -102.919
Base-Backbone interact. energy: -0.332
local terms energy: -133.772077
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -28.158
flat angles C4'-P-C4' energy: -35.075
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: -16.395
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: 10
Temperature: 1.150000
Total energy: -300.771963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.771963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.771963 (E_RNA)
where:
Base-Base interactions energy: -171.953
where: short stacking energy: -103.183
Base-Backbone interact. energy: 0.577
local terms energy: -129.395360
where:
bonds (distance) C4'-P energy: -25.760
bonds (distance) P-C4' energy: -28.310
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -17.561
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: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -277.469800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.469800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.469800 (E_RNA)
where:
Base-Base interactions energy: -139.602
where: short stacking energy: -91.045
Base-Backbone interact. energy: -1.781
local terms energy: -136.086826
where:
bonds (distance) C4'-P energy: -28.525
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -36.221
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -304.715881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.715881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.715881 (E_RNA)
where:
Base-Base interactions energy: -170.844
where: short stacking energy: -82.501
Base-Backbone interact. energy: 1.123
local terms energy: -134.994967
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -43.150
flat angles C4'-P-C4' energy: -31.883
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -13.205
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: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -183.913711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.913711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.913711 (E_RNA)
where:
Base-Base interactions energy: -61.513
where: short stacking energy: -56.451
Base-Backbone interact. energy: 1.800
local terms energy: -124.200975
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -38.044
flat angles C4'-P-C4' energy: -33.494
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: 0.604
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: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -222.417685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.417685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.417685 (E_RNA)
where:
Base-Base interactions energy: -115.052
where: short stacking energy: -73.701
Base-Backbone interact. energy: 5.223
local terms energy: -112.588808
where:
bonds (distance) C4'-P energy: -25.132
bonds (distance) P-C4' energy: -31.022
flat angles C4'-P-C4' energy: -25.592
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -510.397698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.397698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.397698 (E_RNA)
where:
Base-Base interactions energy: -328.309
where: short stacking energy: -150.436
Base-Backbone interact. energy: 2.844
local terms energy: -184.932525
where:
bonds (distance) C4'-P energy: -29.289
bonds (distance) P-C4' energy: -39.939
flat angles C4'-P-C4' energy: -45.088
flat angles P-C4'-P energy: -31.350
tors. eta vs tors. theta energy: -39.267
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: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -463.704875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.704875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.704875 (E_RNA)
where:
Base-Base interactions energy: -290.279
where: short stacking energy: -138.559
Base-Backbone interact. energy: -1.868
local terms energy: -171.557080
where:
bonds (distance) C4'-P energy: -39.936
bonds (distance) P-C4' energy: -37.245
flat angles C4'-P-C4' energy: -34.707
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -36.230
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: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -493.282578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.282578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.282578 (E_RNA)
where:
Base-Base interactions energy: -316.914
where: short stacking energy: -141.776
Base-Backbone interact. energy: -0.956
local terms energy: -175.411966
where:
bonds (distance) C4'-P energy: -32.233
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -48.967
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -36.699
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: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -425.309541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.309541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.309541 (E_RNA)
where:
Base-Base interactions energy: -254.538
where: short stacking energy: -131.784
Base-Backbone interact. energy: -1.315
local terms energy: -169.456921
where:
bonds (distance) C4'-P energy: -31.398
bonds (distance) P-C4' energy: -38.223
flat angles C4'-P-C4' energy: -35.085
flat angles P-C4'-P energy: -25.235
tors. eta vs tors. theta energy: -39.517
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: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -322.745098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.745098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.745098 (E_RNA)
where:
Base-Base interactions energy: -172.330
where: short stacking energy: -91.148
Base-Backbone interact. energy: -1.584
local terms energy: -148.830481
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -40.191
flat angles C4'-P-C4' energy: -34.611
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -13.977
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: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -324.106567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.106567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.106567 (E_RNA)
where:
Base-Base interactions energy: -188.509
where: short stacking energy: -108.779
Base-Backbone interact. energy: -0.367
local terms energy: -135.229928
where:
bonds (distance) C4'-P energy: -22.824
bonds (distance) P-C4' energy: -30.720
flat angles C4'-P-C4' energy: -32.074
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -27.252
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: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -274.907742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.907742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.907742 (E_RNA)
where:
Base-Base interactions energy: -149.596
where: short stacking energy: -73.551
Base-Backbone interact. energy: 1.806
local terms energy: -127.117711
where:
bonds (distance) C4'-P energy: -39.231
bonds (distance) P-C4' energy: -28.880
flat angles C4'-P-C4' energy: -38.042
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -309.270689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.270689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.270689 (E_RNA)
where:
Base-Base interactions energy: -178.404
where: short stacking energy: -95.299
Base-Backbone interact. energy: 1.143
local terms energy: -132.009916
where:
bonds (distance) C4'-P energy: -37.130
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -28.622
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -10.569
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: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -186.982807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.982807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.982807 (E_RNA)
where:
Base-Base interactions energy: -69.517
where: short stacking energy: -54.077
Base-Backbone interact. energy: 3.596
local terms energy: -121.061682
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -34.813
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -170.235574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.235574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.235574 (E_RNA)
where:
Base-Base interactions energy: -53.762
where: short stacking energy: -45.951
Base-Backbone interact. energy: 1.130
local terms energy: -117.604219
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -42.066
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: 6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -522.524388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.524388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.524388 (E_RNA)
where:
Base-Base interactions energy: -335.593
where: short stacking energy: -152.133
Base-Backbone interact. energy: -0.684
local terms energy: -186.247393
where:
bonds (distance) C4'-P energy: -37.408
bonds (distance) P-C4' energy: -34.508
flat angles C4'-P-C4' energy: -43.493
flat angles P-C4'-P energy: -29.424
tors. eta vs tors. theta energy: -41.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -487.828288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.828288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.828288 (E_RNA)
where:
Base-Base interactions energy: -315.620
where: short stacking energy: -145.649
Base-Backbone interact. energy: 2.539
local terms energy: -174.747570
where:
bonds (distance) C4'-P energy: -41.515
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -37.910
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -40.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -499.552688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.552688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.552688 (E_RNA)
where:
Base-Base interactions energy: -321.553
where: short stacking energy: -147.876
Base-Backbone interact. energy: -0.614
local terms energy: -177.385697
where:
bonds (distance) C4'-P energy: -27.473
bonds (distance) P-C4' energy: -46.321
flat angles C4'-P-C4' energy: -37.992
flat angles P-C4'-P energy: -26.500
tors. eta vs tors. theta energy: -39.099
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: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -425.826623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.826623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.826623 (E_RNA)
where:
Base-Base interactions energy: -240.998
where: short stacking energy: -135.023
Base-Backbone interact. energy: 0.071
local terms energy: -184.899830
where:
bonds (distance) C4'-P energy: -40.084
bonds (distance) P-C4' energy: -42.210
flat angles C4'-P-C4' energy: -41.875
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -35.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -335.021941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.021941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.021941 (E_RNA)
where:
Base-Base interactions energy: -187.785
where: short stacking energy: -114.397
Base-Backbone interact. energy: -1.124
local terms energy: -146.112294
where:
bonds (distance) C4'-P energy: -34.687
bonds (distance) P-C4' energy: -33.517
flat angles C4'-P-C4' energy: -36.273
flat angles P-C4'-P energy: -21.383
tors. eta vs tors. theta energy: -20.253
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: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -311.273255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.273255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.273255 (E_RNA)
where:
Base-Base interactions energy: -183.053
where: short stacking energy: -96.697
Base-Backbone interact. energy: -0.199
local terms energy: -128.021431
where:
bonds (distance) C4'-P energy: -39.898
bonds (distance) P-C4' energy: -31.990
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -316.571687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.571687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.571687 (E_RNA)
where:
Base-Base interactions energy: -168.490
where: short stacking energy: -98.237
Base-Backbone interact. energy: 0.346
local terms energy: -148.428435
where:
bonds (distance) C4'-P energy: -36.573
bonds (distance) P-C4' energy: -39.527
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -23.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -259.682572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.682572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.682572 (E_RNA)
where:
Base-Base interactions energy: -133.034
where: short stacking energy: -80.922
Base-Backbone interact. energy: -0.523
local terms energy: -126.126097
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -37.777
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -9.660
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: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -187.743041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.743041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.743041 (E_RNA)
where:
Base-Base interactions energy: -78.502
where: short stacking energy: -63.701
Base-Backbone interact. energy: -0.409
local terms energy: -108.831434
where:
bonds (distance) C4'-P energy: -27.959
bonds (distance) P-C4' energy: -28.615
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -25.398
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -163.216752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.216752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.216752 (E_RNA)
where:
Base-Base interactions energy: -56.900
where: short stacking energy: -49.711
Base-Backbone interact. energy: 1.515
local terms energy: -107.831590
where:
bonds (distance) C4'-P energy: -36.460
bonds (distance) P-C4' energy: -35.354
flat angles C4'-P-C4' energy: -33.059
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: 2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -546.017675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.017675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.017675 (E_RNA)
where:
Base-Base interactions energy: -365.936
where: short stacking energy: -172.114
Base-Backbone interact. energy: 0.191
local terms energy: -180.273025
where:
bonds (distance) C4'-P energy: -40.910
bonds (distance) P-C4' energy: -40.190
flat angles C4'-P-C4' energy: -35.167
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -43.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -478.107082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.107082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.107082 (E_RNA)
where:
Base-Base interactions energy: -299.516
where: short stacking energy: -144.213
Base-Backbone interact. energy: -2.051
local terms energy: -176.540047
where:
bonds (distance) C4'-P energy: -39.089
bonds (distance) P-C4' energy: -38.201
flat angles C4'-P-C4' energy: -40.505
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -32.525
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: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -503.255846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.255846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.255846 (E_RNA)
where:
Base-Base interactions energy: -330.244
where: short stacking energy: -151.331
Base-Backbone interact. energy: 0.366
local terms energy: -173.377206
where:
bonds (distance) C4'-P energy: -38.627
bonds (distance) P-C4' energy: -39.268
flat angles C4'-P-C4' energy: -38.106
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -37.370
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: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -417.230214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.230214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.230214 (E_RNA)
where:
Base-Base interactions energy: -238.879
where: short stacking energy: -109.566
Base-Backbone interact. energy: -0.359
local terms energy: -177.992230
where:
bonds (distance) C4'-P energy: -40.633
bonds (distance) P-C4' energy: -39.352
flat angles C4'-P-C4' energy: -38.059
flat angles P-C4'-P energy: -30.791
tors. eta vs tors. theta energy: -29.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -374.652444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.652444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.652444 (E_RNA)
where:
Base-Base interactions energy: -196.206
where: short stacking energy: -121.999
Base-Backbone interact. energy: -1.343
local terms energy: -177.102782
where:
bonds (distance) C4'-P energy: -34.324
bonds (distance) P-C4' energy: -45.241
flat angles C4'-P-C4' energy: -41.412
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: -33.015
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: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -295.966143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.966143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.966143 (E_RNA)
where:
Base-Base interactions energy: -160.012
where: short stacking energy: -80.560
Base-Backbone interact. energy: -0.014
local terms energy: -135.940224
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -42.897
flat angles C4'-P-C4' energy: -27.593
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -10.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -309.034531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.034531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.034531 (E_RNA)
where:
Base-Base interactions energy: -165.001
where: short stacking energy: -87.498
Base-Backbone interact. energy: -1.015
local terms energy: -143.018387
where:
bonds (distance) C4'-P energy: -33.867
bonds (distance) P-C4' energy: -38.832
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -18.189
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: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -196.974312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.974312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.974312 (E_RNA)
where:
Base-Base interactions energy: -72.263
where: short stacking energy: -60.502
Base-Backbone interact. energy: 0.984
local terms energy: -125.695304
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -30.926
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -226.898901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.898901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.898901 (E_RNA)
where:
Base-Base interactions energy: -104.683
where: short stacking energy: -58.352
Base-Backbone interact. energy: -0.158
local terms energy: -122.057854
where:
bonds (distance) C4'-P energy: -36.115
bonds (distance) P-C4' energy: -36.620
flat angles C4'-P-C4' energy: -29.704
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -4.850
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: 13
Temperature: 1.350000
Total energy: -165.785271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.785271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.785271 (E_RNA)
where:
Base-Base interactions energy: -66.922
where: short stacking energy: -32.760
Base-Backbone interact. energy: -1.467
local terms energy: -97.395936
where:
bonds (distance) C4'-P energy: -39.654
bonds (distance) P-C4' energy: -34.431
flat angles C4'-P-C4' energy: -31.670
flat angles P-C4'-P energy: -7.842
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: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -565.751852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.751852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.751852 (E_RNA)
where:
Base-Base interactions energy: -380.003
where: short stacking energy: -175.050
Base-Backbone interact. energy: -1.548
local terms energy: -184.200175
where:
bonds (distance) C4'-P energy: -37.822
bonds (distance) P-C4' energy: -33.458
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -28.625
tors. eta vs tors. theta energy: -50.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -468.134131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.134131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.134131 (E_RNA)
where:
Base-Base interactions energy: -310.872
where: short stacking energy: -137.854
Base-Backbone interact. energy: -1.362
local terms energy: -155.899784
where:
bonds (distance) C4'-P energy: -38.656
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -34.988
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -30.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -511.482581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.482581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.482581 (E_RNA)
where:
Base-Base interactions energy: -336.046
where: short stacking energy: -151.356
Base-Backbone interact. energy: -0.799
local terms energy: -174.637903
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -41.953
flat angles C4'-P-C4' energy: -39.951
flat angles P-C4'-P energy: -23.786
tors. eta vs tors. theta energy: -36.700
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: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -413.353839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.353839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.353839 (E_RNA)
where:
Base-Base interactions energy: -243.761
where: short stacking energy: -135.734
Base-Backbone interact. energy: -1.983
local terms energy: -167.609820
where:
bonds (distance) C4'-P energy: -32.080
bonds (distance) P-C4' energy: -32.648
flat angles C4'-P-C4' energy: -43.389
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -36.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -327.802468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.802468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.802468 (E_RNA)
where:
Base-Base interactions energy: -178.970
where: short stacking energy: -97.169
Base-Backbone interact. energy: 0.374
local terms energy: -149.206571
where:
bonds (distance) C4'-P energy: -36.775
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -41.931
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -334.823113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.823113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.823113 (E_RNA)
where:
Base-Base interactions energy: -186.036
where: short stacking energy: -105.744
Base-Backbone interact. energy: -0.464
local terms energy: -148.322719
where:
bonds (distance) C4'-P energy: -38.904
bonds (distance) P-C4' energy: -34.302
flat angles C4'-P-C4' energy: -35.486
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -288.075338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.075338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.075338 (E_RNA)
where:
Base-Base interactions energy: -156.561
where: short stacking energy: -94.547
Base-Backbone interact. energy: 0.224
local terms energy: -131.738087
where:
bonds (distance) C4'-P energy: -31.235
bonds (distance) P-C4' energy: -38.334
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -11.996
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: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -214.211331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.211331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.211331 (E_RNA)
where:
Base-Base interactions energy: -86.911
where: short stacking energy: -65.393
Base-Backbone interact. energy: -1.118
local terms energy: -126.182598
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -33.494
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -12.219
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: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -198.869559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.869559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.869559 (E_RNA)
where:
Base-Base interactions energy: -86.142
where: short stacking energy: -65.680
Base-Backbone interact. energy: -0.906
local terms energy: -111.821541
where:
bonds (distance) C4'-P energy: -33.655
bonds (distance) P-C4' energy: -37.053
flat angles C4'-P-C4' energy: -28.283
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: 3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -181.076288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.076288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.076288 (E_RNA)
where:
Base-Base interactions energy: -85.271
where: short stacking energy: -50.242
Base-Backbone interact. energy: -0.764
local terms energy: -95.041038
where:
bonds (distance) C4'-P energy: -31.728
bonds (distance) P-C4' energy: -25.034
flat angles C4'-P-C4' energy: -26.407
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -563.416946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.416946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.416946 (E_RNA)
where:
Base-Base interactions energy: -359.822
where: short stacking energy: -183.805
Base-Backbone interact. energy: 0.738
local terms energy: -204.333206
where:
bonds (distance) C4'-P energy: -41.795
bonds (distance) P-C4' energy: -40.993
flat angles C4'-P-C4' energy: -45.265
flat angles P-C4'-P energy: -28.794
tors. eta vs tors. theta energy: -47.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -505.231897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.231897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.231897 (E_RNA)
where:
Base-Base interactions energy: -321.579
where: short stacking energy: -142.688
Base-Backbone interact. energy: 0.280
local terms energy: -183.933455
where:
bonds (distance) C4'-P energy: -46.407
bonds (distance) P-C4' energy: -39.782
flat angles C4'-P-C4' energy: -36.353
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -35.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -445.118882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.118882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.118882 (E_RNA)
where:
Base-Base interactions energy: -269.498
where: short stacking energy: -120.537
Base-Backbone interact. energy: -0.856
local terms energy: -174.765308
where:
bonds (distance) C4'-P energy: -42.430
bonds (distance) P-C4' energy: -43.236
flat angles C4'-P-C4' energy: -38.877
flat angles P-C4'-P energy: -24.568
tors. eta vs tors. theta energy: -25.654
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: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -438.894134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.894134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.894134 (E_RNA)
where:
Base-Base interactions energy: -262.111
where: short stacking energy: -138.548
Base-Backbone interact. energy: -0.382
local terms energy: -176.401113
where:
bonds (distance) C4'-P energy: -37.009
bonds (distance) P-C4' energy: -40.028
flat angles C4'-P-C4' energy: -39.585
flat angles P-C4'-P energy: -21.072
tors. eta vs tors. theta energy: -38.706
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: 15
Temperature: 1.100000
Total energy: -334.853287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.853287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.853287 (E_RNA)
where:
Base-Base interactions energy: -185.552
where: short stacking energy: -125.306
Base-Backbone interact. energy: 1.017
local terms energy: -150.319079
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -39.143
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -30.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -333.707495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.707495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.707495 (E_RNA)
where:
Base-Base interactions energy: -192.237
where: short stacking energy: -100.992
Base-Backbone interact. energy: 0.944
local terms energy: -142.413686
where:
bonds (distance) C4'-P energy: -37.910
bonds (distance) P-C4' energy: -33.940
flat angles C4'-P-C4' energy: -37.286
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -11.531
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: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -337.086071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.086071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.086071 (E_RNA)
where:
Base-Base interactions energy: -187.760
where: short stacking energy: -118.806
Base-Backbone interact. energy: -0.085
local terms energy: -149.240812
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -31.395
flat angles C4'-P-C4' energy: -32.813
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -29.256
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: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -277.808978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.808978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.808978 (E_RNA)
where:
Base-Base interactions energy: -152.025
where: short stacking energy: -94.429
Base-Backbone interact. energy: -0.828
local terms energy: -124.956187
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -36.116
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -26.714
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -207.823713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.823713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.823713 (E_RNA)
where:
Base-Base interactions energy: -76.571
where: short stacking energy: -72.012
Base-Backbone interact. energy: -0.411
local terms energy: -130.841293
where:
bonds (distance) C4'-P energy: -34.603
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -33.125
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -12.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -182.343867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.343867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.343867 (E_RNA)
where:
Base-Base interactions energy: -69.419
where: short stacking energy: -62.708
Base-Backbone interact. energy: -0.412
local terms energy: -112.512802
where:
bonds (distance) C4'-P energy: -40.555
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: 3.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -580.466669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.466669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.466669 (E_RNA)
where:
Base-Base interactions energy: -375.216
where: short stacking energy: -192.081
Base-Backbone interact. energy: -0.125
local terms energy: -205.125583
where:
bonds (distance) C4'-P energy: -40.929
bonds (distance) P-C4' energy: -43.778
flat angles C4'-P-C4' energy: -42.735
flat angles P-C4'-P energy: -26.627
tors. eta vs tors. theta energy: -51.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -530.168119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.168119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.168119 (E_RNA)
where:
Base-Base interactions energy: -357.683
where: short stacking energy: -163.008
Base-Backbone interact. energy: -1.133
local terms energy: -171.352126
where:
bonds (distance) C4'-P energy: -38.920
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -37.406
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -41.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -434.616626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.616626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.616626 (E_RNA)
where:
Base-Base interactions energy: -273.557
where: short stacking energy: -109.939
Base-Backbone interact. energy: 1.090
local terms energy: -162.149145
where:
bonds (distance) C4'-P energy: -41.613
bonds (distance) P-C4' energy: -40.696
flat angles C4'-P-C4' energy: -33.221
flat angles P-C4'-P energy: -27.416
tors. eta vs tors. theta energy: -19.204
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: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -435.835854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.835854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.835854 (E_RNA)
where:
Base-Base interactions energy: -266.050
where: short stacking energy: -126.018
Base-Backbone interact. energy: 0.289
local terms energy: -170.075029
where:
bonds (distance) C4'-P energy: -33.923
bonds (distance) P-C4' energy: -39.388
flat angles C4'-P-C4' energy: -44.179
flat angles P-C4'-P energy: -21.195
tors. eta vs tors. theta energy: -31.391
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: 16
Temperature: 1.100000
Total energy: -321.997862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.997862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.997862 (E_RNA)
where:
Base-Base interactions energy: -178.873
where: short stacking energy: -105.690
Base-Backbone interact. energy: -0.846
local terms energy: -142.278985
where:
bonds (distance) C4'-P energy: -28.160
bonds (distance) P-C4' energy: -35.408
flat angles C4'-P-C4' energy: -34.302
flat angles P-C4'-P energy: -29.381
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -356.833055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.833055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.833055 (E_RNA)
where:
Base-Base interactions energy: -208.600
where: short stacking energy: -113.151
Base-Backbone interact. energy: -0.322
local terms energy: -147.910868
where:
bonds (distance) C4'-P energy: -29.631
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -26.694
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: 16
Temperature: 1.200000
Total energy: -377.045754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.045754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.045754 (E_RNA)
where:
Base-Base interactions energy: -223.329
where: short stacking energy: -101.590
Base-Backbone interact. energy: -0.370
local terms energy: -153.346557
where:
bonds (distance) C4'-P energy: -37.657
bonds (distance) P-C4' energy: -37.516
flat angles C4'-P-C4' energy: -35.172
flat angles P-C4'-P energy: -26.183
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -240.822048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.822048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.822048 (E_RNA)
where:
Base-Base interactions energy: -118.957
where: short stacking energy: -76.327
Base-Backbone interact. energy: -1.420
local terms energy: -120.445372
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -34.986
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -6.725
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: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -179.468390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.468390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.468390 (E_RNA)
where:
Base-Base interactions energy: -64.407
where: short stacking energy: -58.878
Base-Backbone interact. energy: 2.346
local terms energy: -117.407349
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -40.686
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: 4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -186.115201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.115201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.115201 (E_RNA)
where:
Base-Base interactions energy: -77.690
where: short stacking energy: -67.895
Base-Backbone interact. energy: -0.199
local terms energy: -108.226029
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -562.898399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.898399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.898399 (E_RNA)
where:
Base-Base interactions energy: -373.167
where: short stacking energy: -179.817
Base-Backbone interact. energy: -1.011
local terms energy: -188.720268
where:
bonds (distance) C4'-P energy: -31.818
bonds (distance) P-C4' energy: -39.004
flat angles C4'-P-C4' energy: -44.759
flat angles P-C4'-P energy: -26.543
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: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -552.763399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.763399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.763399 (E_RNA)
where:
Base-Base interactions energy: -371.257
where: short stacking energy: -151.818
Base-Backbone interact. energy: -0.612
local terms energy: -180.894620
where:
bonds (distance) C4'-P energy: -39.316
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -40.880
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -41.880
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: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -455.099287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.099287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.099287 (E_RNA)
where:
Base-Base interactions energy: -283.021
where: short stacking energy: -128.836
Base-Backbone interact. energy: -0.402
local terms energy: -171.676490
where:
bonds (distance) C4'-P energy: -35.333
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -36.761
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -32.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -421.427611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.427611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.427611 (E_RNA)
where:
Base-Base interactions energy: -249.356
where: short stacking energy: -121.911
Base-Backbone interact. energy: 0.756
local terms energy: -172.827246
where:
bonds (distance) C4'-P energy: -40.090
bonds (distance) P-C4' energy: -39.200
flat angles C4'-P-C4' energy: -38.320
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -31.336
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: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -375.179176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.179176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.179176 (E_RNA)
where:
Base-Base interactions energy: -220.609
where: short stacking energy: -125.620
Base-Backbone interact. energy: 0.772
local terms energy: -155.341653
where:
bonds (distance) C4'-P energy: -38.077
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -30.540
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -34.458
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: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -359.883666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.883666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.883666 (E_RNA)
where:
Base-Base interactions energy: -215.007
where: short stacking energy: -132.388
Base-Backbone interact. energy: -0.796
local terms energy: -144.081283
where:
bonds (distance) C4'-P energy: -35.853
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -33.981
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: -27.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -349.853401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.853401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.853401 (E_RNA)
where:
Base-Base interactions energy: -217.404
where: short stacking energy: -99.065
Base-Backbone interact. energy: 0.112
local terms energy: -132.561847
where:
bonds (distance) C4'-P energy: -33.479
bonds (distance) P-C4' energy: -35.848
flat angles C4'-P-C4' energy: -34.143
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -249.212776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.212776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.212776 (E_RNA)
where:
Base-Base interactions energy: -113.210
where: short stacking energy: -78.074
Base-Backbone interact. energy: -1.270
local terms energy: -134.732179
where:
bonds (distance) C4'-P energy: -29.082
bonds (distance) P-C4' energy: -41.374
flat angles C4'-P-C4' energy: -35.988
flat angles P-C4'-P energy: -24.153
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -167.163626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.163626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.163626 (E_RNA)
where:
Base-Base interactions energy: -74.762
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.360
local terms energy: -92.041613
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -38.452
flat angles C4'-P-C4' energy: -22.214
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: 2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -228.784322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.784322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.784322 (E_RNA)
where:
Base-Base interactions energy: -118.553
where: short stacking energy: -54.628
Base-Backbone interact. energy: -0.131
local terms energy: -110.100738
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -38.789
flat angles C4'-P-C4' energy: -30.174
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -0.405
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: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -580.233558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.233558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.233558 (E_RNA)
where:
Base-Base interactions energy: -405.591
where: short stacking energy: -183.875
Base-Backbone interact. energy: 0.756
local terms energy: -175.398134
where:
bonds (distance) C4'-P energy: -43.800
bonds (distance) P-C4' energy: -38.867
flat angles C4'-P-C4' energy: -41.289
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -37.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -564.971994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.971994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.971994 (E_RNA)
where:
Base-Base interactions energy: -365.773
where: short stacking energy: -177.561
Base-Backbone interact. energy: -0.717
local terms energy: -198.481944
where:
bonds (distance) C4'-P energy: -32.343
bonds (distance) P-C4' energy: -37.510
flat angles C4'-P-C4' energy: -46.348
flat angles P-C4'-P energy: -27.405
tors. eta vs tors. theta energy: -54.876
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: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -457.448930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.448930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.448930 (E_RNA)
where:
Base-Base interactions energy: -282.903
where: short stacking energy: -134.279
Base-Backbone interact. energy: -1.715
local terms energy: -172.830612
where:
bonds (distance) C4'-P energy: -40.197
bonds (distance) P-C4' energy: -46.006
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -32.185
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: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -451.477940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.477940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.477940 (E_RNA)
where:
Base-Base interactions energy: -283.479
where: short stacking energy: -125.402
Base-Backbone interact. energy: 0.237
local terms energy: -168.236566
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -38.750
flat angles C4'-P-C4' energy: -38.225
flat angles P-C4'-P energy: -27.289
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -417.731093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.731093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.731093 (E_RNA)
where:
Base-Base interactions energy: -264.082
where: short stacking energy: -123.147
Base-Backbone interact. energy: -0.266
local terms energy: -153.383136
where:
bonds (distance) C4'-P energy: -38.512
bonds (distance) P-C4' energy: -39.848
flat angles C4'-P-C4' energy: -29.380
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -25.788
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: 6, replica: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -370.627513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.627513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.627513 (E_RNA)
where:
Base-Base interactions energy: -215.373
where: short stacking energy: -105.333
Base-Backbone interact. energy: 0.787
local terms energy: -156.040854
where:
bonds (distance) C4'-P energy: -42.525
bonds (distance) P-C4' energy: -32.164
flat angles C4'-P-C4' energy: -29.925
flat angles P-C4'-P energy: -28.144
tors. eta vs tors. theta energy: -23.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -433.302580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.302580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.302580 (E_RNA)
where:
Base-Base interactions energy: -283.153
where: short stacking energy: -119.269
Base-Backbone interact. energy: -0.462
local terms energy: -149.687571
where:
bonds (distance) C4'-P energy: -30.183
bonds (distance) P-C4' energy: -30.360
flat angles C4'-P-C4' energy: -37.972
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -33.450
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: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -225.906166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.906166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.906166 (E_RNA)
where:
Base-Base interactions energy: -107.304
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.569
local terms energy: -118.033753
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -38.617
flat angles C4'-P-C4' energy: -34.238
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: 1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -271.642139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.642139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.642139 (E_RNA)
where:
Base-Base interactions energy: -157.954
where: short stacking energy: -75.738
Base-Backbone interact. energy: 5.807
local terms energy: -119.494713
where:
bonds (distance) C4'-P energy: -31.917
bonds (distance) P-C4' energy: -36.342
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -15.489
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: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -176.332335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.332335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.332335 (E_RNA)
where:
Base-Base interactions energy: -66.952
where: short stacking energy: -48.790
Base-Backbone interact. energy: 1.891
local terms energy: -111.271571
where:
bonds (distance) C4'-P energy: -35.769
bonds (distance) P-C4' energy: -34.483
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -18.801
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: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -580.543072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.543072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.543072 (E_RNA)
where:
Base-Base interactions energy: -402.520
where: short stacking energy: -172.645
Base-Backbone interact. energy: -0.509
local terms energy: -177.513836
where:
bonds (distance) C4'-P energy: -37.164
bonds (distance) P-C4' energy: -28.309
flat angles C4'-P-C4' energy: -40.455
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: -41.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -550.198337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.198337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.198337 (E_RNA)
where:
Base-Base interactions energy: -354.138
where: short stacking energy: -167.689
Base-Backbone interact. energy: -0.644
local terms energy: -195.416747
where:
bonds (distance) C4'-P energy: -40.905
bonds (distance) P-C4' energy: -35.629
flat angles C4'-P-C4' energy: -43.069
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -49.679
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: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -451.862203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.862203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.862203 (E_RNA)
where:
Base-Base interactions energy: -288.156
where: short stacking energy: -138.128
Base-Backbone interact. energy: 0.346
local terms energy: -164.052321
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -32.207
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -32.293
tors. eta vs tors. theta energy: -35.283
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: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -483.152342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.152342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.152342 (E_RNA)
where:
Base-Base interactions energy: -303.304
where: short stacking energy: -151.380
Base-Backbone interact. energy: 0.237
local terms energy: -180.085380
where:
bonds (distance) C4'-P energy: -33.359
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -43.774
flat angles P-C4'-P energy: -25.364
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: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -420.339201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.339201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.339201 (E_RNA)
where:
Base-Base interactions energy: -258.450
where: short stacking energy: -122.638
Base-Backbone interact. energy: -0.722
local terms energy: -161.167577
where:
bonds (distance) C4'-P energy: -30.908
bonds (distance) P-C4' energy: -42.397
flat angles C4'-P-C4' energy: -33.828
flat angles P-C4'-P energy: -28.740
tors. eta vs tors. theta energy: -25.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -457.750736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.750736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.750736 (E_RNA)
where:
Base-Base interactions energy: -289.083
where: short stacking energy: -135.529
Base-Backbone interact. energy: -0.371
local terms energy: -168.296025
where:
bonds (distance) C4'-P energy: -35.337
bonds (distance) P-C4' energy: -34.588
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -36.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -359.613898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.613898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.613898 (E_RNA)
where:
Base-Base interactions energy: -211.945
where: short stacking energy: -114.297
Base-Backbone interact. energy: -1.031
local terms energy: -146.637802
where:
bonds (distance) C4'-P energy: -31.367
bonds (distance) P-C4' energy: -34.300
flat angles C4'-P-C4' energy: -35.883
flat angles P-C4'-P energy: -26.425
tors. eta vs tors. theta energy: -18.661
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: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -276.886705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.886705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.886705 (E_RNA)
where:
Base-Base interactions energy: -155.129
where: short stacking energy: -84.560
Base-Backbone interact. energy: 2.759
local terms energy: -124.517110
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -35.959
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -173.796026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.796026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.796026 (E_RNA)
where:
Base-Base interactions energy: -71.990
where: short stacking energy: -54.624
Base-Backbone interact. energy: -0.657
local terms energy: -101.148780
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -33.454
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: 1.567
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: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -175.263448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.263448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.263448 (E_RNA)
where:
Base-Base interactions energy: -58.319
where: short stacking energy: -45.838
Base-Backbone interact. energy: -0.189
local terms energy: -116.755301
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -38.277
flat angles C4'-P-C4' energy: -36.564
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -599.472441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.472441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.472441 (E_RNA)
where:
Base-Base interactions energy: -403.762
where: short stacking energy: -173.216
Base-Backbone interact. energy: -0.663
local terms energy: -195.047119
where:
bonds (distance) C4'-P energy: -37.623
bonds (distance) P-C4' energy: -42.200
flat angles C4'-P-C4' energy: -43.105
flat angles P-C4'-P energy: -29.228
tors. eta vs tors. theta energy: -42.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -557.832460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.832460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.832460 (E_RNA)
where:
Base-Base interactions energy: -368.699
where: short stacking energy: -173.388
Base-Backbone interact. energy: -0.906
local terms energy: -188.227649
where:
bonds (distance) C4'-P energy: -30.976
bonds (distance) P-C4' energy: -41.599
flat angles C4'-P-C4' energy: -39.850
flat angles P-C4'-P energy: -29.874
tors. eta vs tors. theta energy: -45.929
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: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -485.854905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.854905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.854905 (E_RNA)
where:
Base-Base interactions energy: -305.824
where: short stacking energy: -155.580
Base-Backbone interact. energy: -1.292
local terms energy: -178.739229
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -39.746
flat angles C4'-P-C4' energy: -41.494
flat angles P-C4'-P energy: -28.801
tors. eta vs tors. theta energy: -43.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -458.560565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.560565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.560565 (E_RNA)
where:
Base-Base interactions energy: -298.664
where: short stacking energy: -138.182
Base-Backbone interact. energy: 0.536
local terms energy: -160.433258
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -39.916
flat angles C4'-P-C4' energy: -42.261
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: -27.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -493.399547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.399547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.399547 (E_RNA)
where:
Base-Base interactions energy: -316.402
where: short stacking energy: -156.333
Base-Backbone interact. energy: -0.061
local terms energy: -176.936307
where:
bonds (distance) C4'-P energy: -28.083
bonds (distance) P-C4' energy: -38.884
flat angles C4'-P-C4' energy: -37.866
flat angles P-C4'-P energy: -22.230
tors. eta vs tors. theta energy: -49.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -389.427428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.427428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.427428 (E_RNA)
where:
Base-Base interactions energy: -236.327
where: short stacking energy: -106.732
Base-Backbone interact. energy: -1.452
local terms energy: -151.649256
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -41.932
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -24.938
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -337.202050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.202050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.202050 (E_RNA)
where:
Base-Base interactions energy: -211.424
where: short stacking energy: -110.328
Base-Backbone interact. energy: 0.395
local terms energy: -126.173503
where:
bonds (distance) C4'-P energy: -31.846
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -15.923
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: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -305.658451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.658451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.658451 (E_RNA)
where:
Base-Base interactions energy: -168.594
where: short stacking energy: -94.100
Base-Backbone interact. energy: 0.092
local terms energy: -137.156815
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -32.691
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -24.254
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: 20
Temperature: 1.300000
Total energy: -178.384659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.384659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.384659 (E_RNA)
where:
Base-Base interactions energy: -68.552
where: short stacking energy: -52.827
Base-Backbone interact. energy: 1.276
local terms energy: -111.108426
where:
bonds (distance) C4'-P energy: -28.247
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -187.269754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.269754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.269754 (E_RNA)
where:
Base-Base interactions energy: -74.821
where: short stacking energy: -61.652
Base-Backbone interact. energy: 0.019
local terms energy: -112.467972
where:
bonds (distance) C4'-P energy: -34.148
bonds (distance) P-C4' energy: -31.748
flat angles C4'-P-C4' energy: -23.469
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -6.017
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: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -577.081023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.081023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.081023 (E_RNA)
where:
Base-Base interactions energy: -383.719
where: short stacking energy: -155.888
Base-Backbone interact. energy: -1.940
local terms energy: -191.421806
where:
bonds (distance) C4'-P energy: -38.369
bonds (distance) P-C4' energy: -44.975
flat angles C4'-P-C4' energy: -41.308
flat angles P-C4'-P energy: -28.572
tors. eta vs tors. theta energy: -38.199
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: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -562.093291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.093291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.093291 (E_RNA)
where:
Base-Base interactions energy: -369.568
where: short stacking energy: -178.953
Base-Backbone interact. energy: -0.935
local terms energy: -191.590118
where:
bonds (distance) C4'-P energy: -37.823
bonds (distance) P-C4' energy: -35.515
flat angles C4'-P-C4' energy: -41.361
flat angles P-C4'-P energy: -27.129
tors. eta vs tors. theta energy: -49.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -524.026160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.026160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.026160 (E_RNA)
where:
Base-Base interactions energy: -331.485
where: short stacking energy: -162.119
Base-Backbone interact. energy: -1.001
local terms energy: -191.540031
where:
bonds (distance) C4'-P energy: -36.074
bonds (distance) P-C4' energy: -34.683
flat angles C4'-P-C4' energy: -44.675
flat angles P-C4'-P energy: -29.334
tors. eta vs tors. theta energy: -46.775
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: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -468.685398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.685398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.685398 (E_RNA)
where:
Base-Base interactions energy: -284.207
where: short stacking energy: -135.639
Base-Backbone interact. energy: -2.097
local terms energy: -182.381004
where:
bonds (distance) C4'-P energy: -26.866
bonds (distance) P-C4' energy: -42.916
flat angles C4'-P-C4' energy: -42.505
flat angles P-C4'-P energy: -30.407
tors. eta vs tors. theta energy: -39.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -472.849448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.849448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.849448 (E_RNA)
where:
Base-Base interactions energy: -305.388
where: short stacking energy: -143.215
Base-Backbone interact. energy: -0.614
local terms energy: -166.848318
where:
bonds (distance) C4'-P energy: -30.715
bonds (distance) P-C4' energy: -37.764
flat angles C4'-P-C4' energy: -36.713
flat angles P-C4'-P energy: -28.298
tors. eta vs tors. theta energy: -33.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -412.383754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.383754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.383754 (E_RNA)
where:
Base-Base interactions energy: -245.868
where: short stacking energy: -115.000
Base-Backbone interact. energy: 0.707
local terms energy: -167.222836
where:
bonds (distance) C4'-P energy: -32.725
bonds (distance) P-C4' energy: -39.737
flat angles C4'-P-C4' energy: -39.048
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -29.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -357.174229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.174229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.174229 (E_RNA)
where:
Base-Base interactions energy: -220.722
where: short stacking energy: -93.468
Base-Backbone interact. energy: 1.400
local terms energy: -137.852752
where:
bonds (distance) C4'-P energy: -26.463
bonds (distance) P-C4' energy: -43.440
flat angles C4'-P-C4' energy: -39.055
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -9.468
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: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -275.554514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.554514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.554514 (E_RNA)
where:
Base-Base interactions energy: -148.483
where: short stacking energy: -89.627
Base-Backbone interact. energy: -0.325
local terms energy: -126.746865
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -35.851
flat angles C4'-P-C4' energy: -29.243
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -20.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -164.145756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.145756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.145756 (E_RNA)
where:
Base-Base interactions energy: -57.534
where: short stacking energy: -40.251
Base-Backbone interact. energy: 3.913
local terms energy: -110.524429
where:
bonds (distance) C4'-P energy: -30.279
bonds (distance) P-C4' energy: -44.939
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: 6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -181.458494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.458494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.458494 (E_RNA)
where:
Base-Base interactions energy: -55.526
where: short stacking energy: -36.307
Base-Backbone interact. energy: 3.350
local terms energy: -129.282290
where:
bonds (distance) C4'-P energy: -35.998
bonds (distance) P-C4' energy: -43.013
flat angles C4'-P-C4' energy: -36.374
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -5.245
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: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -583.794887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.794887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.794887 (E_RNA)
where:
Base-Base interactions energy: -383.805
where: short stacking energy: -185.526
Base-Backbone interact. energy: -0.328
local terms energy: -199.662177
where:
bonds (distance) C4'-P energy: -37.727
bonds (distance) P-C4' energy: -42.051
flat angles C4'-P-C4' energy: -40.443
flat angles P-C4'-P energy: -25.858
tors. eta vs tors. theta energy: -53.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -564.201999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.201999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.201999 (E_RNA)
where:
Base-Base interactions energy: -373.638
where: short stacking energy: -172.060
Base-Backbone interact. energy: -1.388
local terms energy: -189.175527
where:
bonds (distance) C4'-P energy: -32.727
bonds (distance) P-C4' energy: -40.614
flat angles C4'-P-C4' energy: -41.761
flat angles P-C4'-P energy: -26.517
tors. eta vs tors. theta energy: -47.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -494.335808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.335808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.335808 (E_RNA)
where:
Base-Base interactions energy: -329.147
where: short stacking energy: -138.594
Base-Backbone interact. energy: 0.092
local terms energy: -165.279998
where:
bonds (distance) C4'-P energy: -35.198
bonds (distance) P-C4' energy: -30.547
flat angles C4'-P-C4' energy: -38.162
flat angles P-C4'-P energy: -27.622
tors. eta vs tors. theta energy: -33.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -486.242045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.242045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.242045 (E_RNA)
where:
Base-Base interactions energy: -306.689
where: short stacking energy: -152.067
Base-Backbone interact. energy: -1.395
local terms energy: -178.157521
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -39.967
flat angles C4'-P-C4' energy: -46.760
flat angles P-C4'-P energy: -16.349
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: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -478.622438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.622438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.622438 (E_RNA)
where:
Base-Base interactions energy: -309.824
where: short stacking energy: -135.919
Base-Backbone interact. energy: -0.012
local terms energy: -168.786838
where:
bonds (distance) C4'-P energy: -33.579
bonds (distance) P-C4' energy: -38.326
flat angles C4'-P-C4' energy: -35.063
flat angles P-C4'-P energy: -25.719
tors. eta vs tors. theta energy: -36.100
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: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -436.485150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.485150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.485150 (E_RNA)
where:
Base-Base interactions energy: -271.418
where: short stacking energy: -127.448
Base-Backbone interact. energy: -1.055
local terms energy: -164.012323
where:
bonds (distance) C4'-P energy: -38.351
bonds (distance) P-C4' energy: -31.012
flat angles C4'-P-C4' energy: -44.605
flat angles P-C4'-P energy: -19.016
tors. eta vs tors. theta energy: -31.028
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: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -317.882978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.882978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.882978 (E_RNA)
where:
Base-Base interactions energy: -162.648
where: short stacking energy: -94.043
Base-Backbone interact. energy: 1.517
local terms energy: -156.752576
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -40.823
flat angles P-C4'-P energy: -28.374
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -326.977975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.977975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.977975 (E_RNA)
where:
Base-Base interactions energy: -187.254
where: short stacking energy: -100.552
Base-Backbone interact. energy: -0.382
local terms energy: -139.342420
where:
bonds (distance) C4'-P energy: -29.725
bonds (distance) P-C4' energy: -30.078
flat angles C4'-P-C4' energy: -33.686
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: -18.360
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: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -209.605096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.605096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.605096 (E_RNA)
where:
Base-Base interactions energy: -85.620
where: short stacking energy: -69.116
Base-Backbone interact. energy: 1.652
local terms energy: -125.637285
where:
bonds (distance) C4'-P energy: -36.303
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -27.222
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -169.748993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.748993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.748993 (E_RNA)
where:
Base-Base interactions energy: -54.346
where: short stacking energy: -49.550
Base-Backbone interact. energy: -0.528
local terms energy: -114.874193
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -37.865
flat angles C4'-P-C4' energy: -32.985
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: 1.781
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: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -569.004829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.004829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.004829 (E_RNA)
where:
Base-Base interactions energy: -370.898
where: short stacking energy: -166.373
Base-Backbone interact. energy: -0.456
local terms energy: -197.651123
where:
bonds (distance) C4'-P energy: -36.710
bonds (distance) P-C4' energy: -42.241
flat angles C4'-P-C4' energy: -46.901
flat angles P-C4'-P energy: -31.028
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: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -559.233889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.233889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.233889 (E_RNA)
where:
Base-Base interactions energy: -359.224
where: short stacking energy: -163.911
Base-Backbone interact. energy: -0.947
local terms energy: -199.063500
where:
bonds (distance) C4'-P energy: -41.714
bonds (distance) P-C4' energy: -39.184
flat angles C4'-P-C4' energy: -41.499
flat angles P-C4'-P energy: -30.563
tors. eta vs tors. theta energy: -46.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -479.091756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.091756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.091756 (E_RNA)
where:
Base-Base interactions energy: -303.586
where: short stacking energy: -134.382
Base-Backbone interact. energy: 0.121
local terms energy: -175.627075
where:
bonds (distance) C4'-P energy: -39.254
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -41.187
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -33.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -529.495229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.495229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.495229 (E_RNA)
where:
Base-Base interactions energy: -355.114
where: short stacking energy: -157.970
Base-Backbone interact. energy: -0.303
local terms energy: -174.079023
where:
bonds (distance) C4'-P energy: -30.036
bonds (distance) P-C4' energy: -33.710
flat angles C4'-P-C4' energy: -43.240
flat angles P-C4'-P energy: -22.199
tors. eta vs tors. theta energy: -44.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -452.284509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.284509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.284509 (E_RNA)
where:
Base-Base interactions energy: -287.504
where: short stacking energy: -133.214
Base-Backbone interact. energy: -1.771
local terms energy: -163.009373
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -35.254
flat angles C4'-P-C4' energy: -41.658
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -34.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -388.667326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.667326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.667326 (E_RNA)
where:
Base-Base interactions energy: -237.307
where: short stacking energy: -98.397
Base-Backbone interact. energy: -0.716
local terms energy: -150.643827
where:
bonds (distance) C4'-P energy: -37.489
bonds (distance) P-C4' energy: -34.360
flat angles C4'-P-C4' energy: -40.683
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -295.589666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.589666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.589666 (E_RNA)
where:
Base-Base interactions energy: -152.517
where: short stacking energy: -85.275
Base-Backbone interact. energy: -0.561
local terms energy: -142.511614
where:
bonds (distance) C4'-P energy: -34.042
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -32.739
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -20.754
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: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -331.122621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.122621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.122621 (E_RNA)
where:
Base-Base interactions energy: -201.624
where: short stacking energy: -94.566
Base-Backbone interact. energy: -1.531
local terms energy: -127.967324
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -29.663
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -24.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -201.649994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.649994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.649994 (E_RNA)
where:
Base-Base interactions energy: -88.069
where: short stacking energy: -44.478
Base-Backbone interact. energy: -1.508
local terms energy: -112.073299
where:
bonds (distance) C4'-P energy: -32.576
bonds (distance) P-C4' energy: -31.763
flat angles C4'-P-C4' energy: -26.254
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -4.944
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: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -179.551272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.551272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.551272 (E_RNA)
where:
Base-Base interactions energy: -69.631
where: short stacking energy: -66.635
Base-Backbone interact. energy: 7.051
local terms energy: -116.971598
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -40.360
flat angles C4'-P-C4' energy: -23.085
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -573.738982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.738982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.738982 (E_RNA)
where:
Base-Base interactions energy: -380.274
where: short stacking energy: -177.691
Base-Backbone interact. energy: -1.259
local terms energy: -192.205694
where:
bonds (distance) C4'-P energy: -37.389
bonds (distance) P-C4' energy: -37.696
flat angles C4'-P-C4' energy: -39.949
flat angles P-C4'-P energy: -25.269
tors. eta vs tors. theta energy: -51.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -552.991850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.991850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.991850 (E_RNA)
where:
Base-Base interactions energy: -369.051
where: short stacking energy: -169.053
Base-Backbone interact. energy: -0.350
local terms energy: -183.591023
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -44.124
flat angles C4'-P-C4' energy: -39.268
flat angles P-C4'-P energy: -27.857
tors. eta vs tors. theta energy: -40.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -558.864683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.864683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.864683 (E_RNA)
where:
Base-Base interactions energy: -356.952
where: short stacking energy: -168.619
Base-Backbone interact. energy: -0.838
local terms energy: -201.074704
where:
bonds (distance) C4'-P energy: -41.937
bonds (distance) P-C4' energy: -40.136
flat angles C4'-P-C4' energy: -39.592
flat angles P-C4'-P energy: -28.816
tors. eta vs tors. theta energy: -50.593
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: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -479.456504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.456504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.456504 (E_RNA)
where:
Base-Base interactions energy: -325.547
where: short stacking energy: -136.870
Base-Backbone interact. energy: -0.002
local terms energy: -153.907976
where:
bonds (distance) C4'-P energy: -34.208
bonds (distance) P-C4' energy: -28.772
flat angles C4'-P-C4' energy: -37.498
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -32.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -406.365013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.365013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.365013 (E_RNA)
where:
Base-Base interactions energy: -245.592
where: short stacking energy: -124.633
Base-Backbone interact. energy: -1.254
local terms energy: -159.519651
where:
bonds (distance) C4'-P energy: -37.339
bonds (distance) P-C4' energy: -33.245
flat angles C4'-P-C4' energy: -35.597
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: -29.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -402.936716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.936716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.936716 (E_RNA)
where:
Base-Base interactions energy: -259.163
where: short stacking energy: -121.179
Base-Backbone interact. energy: 0.403
local terms energy: -144.176667
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -36.979
flat angles C4'-P-C4' energy: -37.940
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -23.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -349.593790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.593790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.593790 (E_RNA)
where:
Base-Base interactions energy: -198.993
where: short stacking energy: -101.173
Base-Backbone interact. energy: -0.917
local terms energy: -149.683412
where:
bonds (distance) C4'-P energy: -30.301
bonds (distance) P-C4' energy: -38.690
flat angles C4'-P-C4' energy: -38.945
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -20.090
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: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -303.428823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.428823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.428823 (E_RNA)
where:
Base-Base interactions energy: -177.662
where: short stacking energy: -91.457
Base-Backbone interact. energy: 4.422
local terms energy: -130.188913
where:
bonds (distance) C4'-P energy: -29.606
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -31.053
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -22.633
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: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -219.376803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.376803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.376803 (E_RNA)
where:
Base-Base interactions energy: -101.860
where: short stacking energy: -69.188
Base-Backbone interact. energy: -0.995
local terms energy: -116.521646
where:
bonds (distance) C4'-P energy: -24.711
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -36.203
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -166.652265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.652265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.652265 (E_RNA)
where:
Base-Base interactions energy: -59.660
where: short stacking energy: -55.410
Base-Backbone interact. energy: 3.323
local terms energy: -110.315658
where:
bonds (distance) C4'-P energy: -36.335
bonds (distance) P-C4' energy: -30.095
flat angles C4'-P-C4' energy: -27.871
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: 4.565
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: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -577.210925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.210925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.210925 (E_RNA)
where:
Base-Base interactions energy: -379.773
where: short stacking energy: -178.530
Base-Backbone interact. energy: -0.994
local terms energy: -196.443800
where:
bonds (distance) C4'-P energy: -37.964
bonds (distance) P-C4' energy: -36.286
flat angles C4'-P-C4' energy: -43.382
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: -53.111
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: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -567.280224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.280224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.280224 (E_RNA)
where:
Base-Base interactions energy: -373.890
where: short stacking energy: -175.792
Base-Backbone interact. energy: -1.347
local terms energy: -192.042963
where:
bonds (distance) C4'-P energy: -36.225
bonds (distance) P-C4' energy: -38.498
flat angles C4'-P-C4' energy: -44.460
flat angles P-C4'-P energy: -27.541
tors. eta vs tors. theta energy: -45.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -540.141804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.141804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.141804 (E_RNA)
where:
Base-Base interactions energy: -360.797
where: short stacking energy: -177.739
Base-Backbone interact. energy: -0.455
local terms energy: -178.889187
where:
bonds (distance) C4'-P energy: -42.280
bonds (distance) P-C4' energy: -34.730
flat angles C4'-P-C4' energy: -33.304
flat angles P-C4'-P energy: -21.436
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: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -496.847861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.847861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.847861 (E_RNA)
where:
Base-Base interactions energy: -320.863
where: short stacking energy: -136.430
Base-Backbone interact. energy: -1.227
local terms energy: -174.757636
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -38.516
flat angles C4'-P-C4' energy: -41.183
flat angles P-C4'-P energy: -30.873
tors. eta vs tors. theta energy: -29.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -355.238052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.238052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.238052 (E_RNA)
where:
Base-Base interactions energy: -205.863
where: short stacking energy: -102.802
Base-Backbone interact. energy: -0.858
local terms energy: -148.517789
where:
bonds (distance) C4'-P energy: -33.572
bonds (distance) P-C4' energy: -41.299
flat angles C4'-P-C4' energy: -35.694
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -17.574
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: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -391.946313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.946313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.946313 (E_RNA)
where:
Base-Base interactions energy: -241.834
where: short stacking energy: -113.745
Base-Backbone interact. energy: -0.721
local terms energy: -149.391491
where:
bonds (distance) C4'-P energy: -28.743
bonds (distance) P-C4' energy: -29.116
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -27.036
tors. eta vs tors. theta energy: -28.172
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: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -321.449376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.449376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.449376 (E_RNA)
where:
Base-Base interactions energy: -185.716
where: short stacking energy: -92.568
Base-Backbone interact. energy: 0.163
local terms energy: -135.896319
where:
bonds (distance) C4'-P energy: -34.737
bonds (distance) P-C4' energy: -37.145
flat angles C4'-P-C4' energy: -36.071
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: -5.393
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: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -300.497317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.497317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.497317 (E_RNA)
where:
Base-Base interactions energy: -166.422
where: short stacking energy: -81.893
Base-Backbone interact. energy: -0.456
local terms energy: -133.618886
where:
bonds (distance) C4'-P energy: -32.378
bonds (distance) P-C4' energy: -37.657
flat angles C4'-P-C4' energy: -34.384
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -10.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -182.362160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.362160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.362160 (E_RNA)
where:
Base-Base interactions energy: -72.110
where: short stacking energy: -59.192
Base-Backbone interact. energy: -1.006
local terms energy: -109.247025
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -41.211
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -0.795
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: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -173.807518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.807518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.807518 (E_RNA)
where:
Base-Base interactions energy: -58.091
where: short stacking energy: -57.465
Base-Backbone interact. energy: -0.400
local terms energy: -115.316275
where:
bonds (distance) C4'-P energy: -34.853
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -32.638
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -571.317288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.317288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.317288 (E_RNA)
where:
Base-Base interactions energy: -391.928
where: short stacking energy: -159.139
Base-Backbone interact. energy: -0.002
local terms energy: -179.388112
where:
bonds (distance) C4'-P energy: -37.841
bonds (distance) P-C4' energy: -38.655
flat angles C4'-P-C4' energy: -42.558
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -33.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -539.840553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.840553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.840553 (E_RNA)
where:
Base-Base interactions energy: -349.896
where: short stacking energy: -171.195
Base-Backbone interact. energy: -0.304
local terms energy: -189.640920
where:
bonds (distance) C4'-P energy: -36.870
bonds (distance) P-C4' energy: -44.906
flat angles C4'-P-C4' energy: -36.361
flat angles P-C4'-P energy: -24.840
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: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -562.182577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.182577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.182577 (E_RNA)
where:
Base-Base interactions energy: -359.143
where: short stacking energy: -170.346
Base-Backbone interact. energy: -0.074
local terms energy: -202.965209
where:
bonds (distance) C4'-P energy: -41.411
bonds (distance) P-C4' energy: -35.659
flat angles C4'-P-C4' energy: -46.224
flat angles P-C4'-P energy: -34.466
tors. eta vs tors. theta energy: -45.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -491.579151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.579151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.579151 (E_RNA)
where:
Base-Base interactions energy: -317.164
where: short stacking energy: -140.357
Base-Backbone interact. energy: -0.421
local terms energy: -173.994195
where:
bonds (distance) C4'-P energy: -35.669
bonds (distance) P-C4' energy: -38.715
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: -37.054
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: 26
Temperature: 1.100000
Total energy: -406.673319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.673319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.673319 (E_RNA)
where:
Base-Base interactions energy: -255.306
where: short stacking energy: -122.078
Base-Backbone interact. energy: -0.854
local terms energy: -150.513329
where:
bonds (distance) C4'-P energy: -30.175
bonds (distance) P-C4' energy: -29.096
flat angles C4'-P-C4' energy: -41.199
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -28.519
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: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -421.739030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.739030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.739030 (E_RNA)
where:
Base-Base interactions energy: -265.404
where: short stacking energy: -131.935
Base-Backbone interact. energy: -1.660
local terms energy: -154.675336
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -33.885
flat angles C4'-P-C4' energy: -40.029
flat angles P-C4'-P energy: -21.344
tors. eta vs tors. theta energy: -28.163
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: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -349.703621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.703621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.703621 (E_RNA)
where:
Base-Base interactions energy: -200.964
where: short stacking energy: -105.365
Base-Backbone interact. energy: -1.084
local terms energy: -147.654946
where:
bonds (distance) C4'-P energy: -30.567
bonds (distance) P-C4' energy: -39.899
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -24.361
tors. eta vs tors. theta energy: -18.631
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: 26
Temperature: 1.250000
Total energy: -273.904248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.904248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.904248 (E_RNA)
where:
Base-Base interactions energy: -144.744
where: short stacking energy: -77.655
Base-Backbone interact. energy: -0.509
local terms energy: -128.651218
where:
bonds (distance) C4'-P energy: -30.496
bonds (distance) P-C4' energy: -40.651
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -20.438
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: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -195.226751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.226751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.226751 (E_RNA)
where:
Base-Base interactions energy: -66.304
where: short stacking energy: -51.575
Base-Backbone interact. energy: -1.613
local terms energy: -127.310027
where:
bonds (distance) C4'-P energy: -36.726
bonds (distance) P-C4' energy: -35.994
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -22.605
tors. eta vs tors. theta energy: -7.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -177.692794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.692794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.692794 (E_RNA)
where:
Base-Base interactions energy: -67.775
where: short stacking energy: -66.118
Base-Backbone interact. energy: -1.108
local terms energy: -108.809855
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -29.627
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: 6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -565.129006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.129006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.129006 (E_RNA)
where:
Base-Base interactions energy: -378.487
where: short stacking energy: -161.488
Base-Backbone interact. energy: 0.199
local terms energy: -186.841609
where:
bonds (distance) C4'-P energy: -39.400
bonds (distance) P-C4' energy: -39.581
flat angles C4'-P-C4' energy: -40.235
flat angles P-C4'-P energy: -24.616
tors. eta vs tors. theta energy: -43.009
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: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -545.976397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.976397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.976397 (E_RNA)
where:
Base-Base interactions energy: -364.810
where: short stacking energy: -169.178
Base-Backbone interact. energy: 0.486
local terms energy: -181.652499
where:
bonds (distance) C4'-P energy: -36.842
bonds (distance) P-C4' energy: -34.475
flat angles C4'-P-C4' energy: -39.395
flat angles P-C4'-P energy: -27.052
tors. eta vs tors. theta energy: -43.888
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: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -517.330097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.330097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.330097 (E_RNA)
where:
Base-Base interactions energy: -335.513
where: short stacking energy: -159.183
Base-Backbone interact. energy: -0.656
local terms energy: -181.160305
where:
bonds (distance) C4'-P energy: -39.302
bonds (distance) P-C4' energy: -42.788
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -22.379
tors. eta vs tors. theta energy: -38.835
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: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -489.328151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.328151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.328151 (E_RNA)
where:
Base-Base interactions energy: -323.315
where: short stacking energy: -138.204
Base-Backbone interact. energy: -0.734
local terms energy: -165.278824
where:
bonds (distance) C4'-P energy: -30.977
bonds (distance) P-C4' energy: -38.908
flat angles C4'-P-C4' energy: -32.065
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: -42.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -378.089060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.089060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.089060 (E_RNA)
where:
Base-Base interactions energy: -223.852
where: short stacking energy: -95.535
Base-Backbone interact. energy: -0.336
local terms energy: -153.901664
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -40.789
flat angles P-C4'-P energy: -26.603
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: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -446.046473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.046473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.046473 (E_RNA)
where:
Base-Base interactions energy: -285.873
where: short stacking energy: -141.453
Base-Backbone interact. energy: 0.111
local terms energy: -160.283624
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -39.149
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -28.987
tors. eta vs tors. theta energy: -30.008
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: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -324.341746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.341746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.341746 (E_RNA)
where:
Base-Base interactions energy: -182.560
where: short stacking energy: -92.610
Base-Backbone interact. energy: -0.228
local terms energy: -141.553763
where:
bonds (distance) C4'-P energy: -37.405
bonds (distance) P-C4' energy: -40.201
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -24.191
tors. eta vs tors. theta energy: -6.841
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: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -270.284744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.284744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.284744 (E_RNA)
where:
Base-Base interactions energy: -130.450
where: short stacking energy: -80.155
Base-Backbone interact. energy: 0.301
local terms energy: -140.135948
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -37.690
flat angles C4'-P-C4' energy: -42.449
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -10.536
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: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -191.317402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.317402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.317402 (E_RNA)
where:
Base-Base interactions energy: -60.610
where: short stacking energy: -48.717
Base-Backbone interact. energy: -0.029
local terms energy: -130.678493
where:
bonds (distance) C4'-P energy: -31.136
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -31.887
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: -9.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -181.432505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.432505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.432505 (E_RNA)
where:
Base-Base interactions energy: -68.663
where: short stacking energy: -57.756
Base-Backbone interact. energy: -1.244
local terms energy: -111.525854
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -39.991
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -23.297
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -571.856563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.856563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.856563 (E_RNA)
where:
Base-Base interactions energy: -371.708
where: short stacking energy: -181.483
Base-Backbone interact. energy: -1.917
local terms energy: -198.232011
where:
bonds (distance) C4'-P energy: -36.262
bonds (distance) P-C4' energy: -39.074
flat angles C4'-P-C4' energy: -44.143
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -49.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -554.300679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.300679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.300679 (E_RNA)
where:
Base-Base interactions energy: -368.668
where: short stacking energy: -167.077
Base-Backbone interact. energy: -0.121
local terms energy: -185.512277
where:
bonds (distance) C4'-P energy: -33.919
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -47.088
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: -46.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -521.203987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.203987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.203987 (E_RNA)
where:
Base-Base interactions energy: -335.953
where: short stacking energy: -158.193
Base-Backbone interact. energy: -0.530
local terms energy: -184.721135
where:
bonds (distance) C4'-P energy: -41.985
bonds (distance) P-C4' energy: -31.750
flat angles C4'-P-C4' energy: -41.808
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -39.059
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: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -482.618712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.618712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.618712 (E_RNA)
where:
Base-Base interactions energy: -311.185
where: short stacking energy: -131.535
Base-Backbone interact. energy: -2.545
local terms energy: -168.889212
where:
bonds (distance) C4'-P energy: -37.193
bonds (distance) P-C4' energy: -42.615
flat angles C4'-P-C4' energy: -35.436
flat angles P-C4'-P energy: -25.676
tors. eta vs tors. theta energy: -27.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -478.156147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.156147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.156147 (E_RNA)
where:
Base-Base interactions energy: -313.517
where: short stacking energy: -149.833
Base-Backbone interact. energy: -2.359
local terms energy: -162.280936
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -34.856
flat angles P-C4'-P energy: -26.878
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: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -351.262960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.262960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.262960 (E_RNA)
where:
Base-Base interactions energy: -194.497
where: short stacking energy: -102.981
Base-Backbone interact. energy: -1.191
local terms energy: -155.574791
where:
bonds (distance) C4'-P energy: -26.904
bonds (distance) P-C4' energy: -44.585
flat angles C4'-P-C4' energy: -38.963
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -23.760
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: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -313.191196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.191196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.191196 (E_RNA)
where:
Base-Base interactions energy: -174.804
where: short stacking energy: -102.277
Base-Backbone interact. energy: 0.126
local terms energy: -138.513113
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -32.222
flat angles C4'-P-C4' energy: -35.174
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -22.801
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: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -335.884092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.884092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.884092 (E_RNA)
where:
Base-Base interactions energy: -209.420
where: short stacking energy: -104.209
Base-Backbone interact. energy: -0.478
local terms energy: -125.985672
where:
bonds (distance) C4'-P energy: -30.786
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -186.699373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.699373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.699373 (E_RNA)
where:
Base-Base interactions energy: -76.343
where: short stacking energy: -44.271
Base-Backbone interact. energy: -0.624
local terms energy: -109.732263
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -36.178
flat angles C4'-P-C4' energy: -29.239
flat angles P-C4'-P energy: -22.560
tors. eta vs tors. theta energy: 6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -168.436732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.436732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.436732 (E_RNA)
where:
Base-Base interactions energy: -44.084
where: short stacking energy: -40.497
Base-Backbone interact. energy: -0.552
local terms energy: -123.800243
where:
bonds (distance) C4'-P energy: -38.417
bonds (distance) P-C4' energy: -37.076
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: 7.123
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: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -572.520794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.520794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.520794 (E_RNA)
where:
Base-Base interactions energy: -370.727
where: short stacking energy: -179.453
Base-Backbone interact. energy: -1.025
local terms energy: -200.768526
where:
bonds (distance) C4'-P energy: -40.933
bonds (distance) P-C4' energy: -41.038
flat angles C4'-P-C4' energy: -40.904
flat angles P-C4'-P energy: -30.212
tors. eta vs tors. theta energy: -47.681
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: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -533.366000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.366000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.366000 (E_RNA)
where:
Base-Base interactions energy: -345.292
where: short stacking energy: -169.418
Base-Backbone interact. energy: -0.308
local terms energy: -187.765729
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -40.831
flat angles C4'-P-C4' energy: -45.199
flat angles P-C4'-P energy: -22.075
tors. eta vs tors. theta energy: -45.283
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: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -518.498933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.498933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.498933 (E_RNA)
where:
Base-Base interactions energy: -321.592
where: short stacking energy: -139.676
Base-Backbone interact. energy: -0.643
local terms energy: -196.264106
where:
bonds (distance) C4'-P energy: -38.664
bonds (distance) P-C4' energy: -39.387
flat angles C4'-P-C4' energy: -45.876
flat angles P-C4'-P energy: -27.124
tors. eta vs tors. theta energy: -45.214
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: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -516.044893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.044893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.044893 (E_RNA)
where:
Base-Base interactions energy: -349.180
where: short stacking energy: -156.209
Base-Backbone interact. energy: -0.392
local terms energy: -166.472589
where:
bonds (distance) C4'-P energy: -38.240
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -36.985
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -38.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -462.931377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.931377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.931377 (E_RNA)
where:
Base-Base interactions energy: -298.237
where: short stacking energy: -129.249
Base-Backbone interact. energy: -0.217
local terms energy: -164.477484
where:
bonds (distance) C4'-P energy: -37.933
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -33.227
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -28.006
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: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -369.272919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.272919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.272919 (E_RNA)
where:
Base-Base interactions energy: -206.643
where: short stacking energy: -109.158
Base-Backbone interact. energy: -0.485
local terms energy: -162.144806
where:
bonds (distance) C4'-P energy: -43.100
bonds (distance) P-C4' energy: -35.212
flat angles C4'-P-C4' energy: -34.541
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -280.059819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.059819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.059819 (E_RNA)
where:
Base-Base interactions energy: -153.110
where: short stacking energy: -97.414
Base-Backbone interact. energy: 0.135
local terms energy: -127.084611
where:
bonds (distance) C4'-P energy: -34.916
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -33.804
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -17.996
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: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -331.736893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.736893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.736893 (E_RNA)
where:
Base-Base interactions energy: -204.237
where: short stacking energy: -107.545
Base-Backbone interact. energy: -1.508
local terms energy: -125.991376
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -28.114
flat angles C4'-P-C4' energy: -31.373
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -189.406529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.406529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.406529 (E_RNA)
where:
Base-Base interactions energy: -74.051
where: short stacking energy: -69.148
Base-Backbone interact. energy: 0.635
local terms energy: -115.990452
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -39.138
flat angles C4'-P-C4' energy: -32.524
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -157.046864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.046864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.046864 (E_RNA)
where:
Base-Base interactions energy: -55.152
where: short stacking energy: -53.324
Base-Backbone interact. energy: -0.201
local terms energy: -101.694198
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -34.293
flat angles C4'-P-C4' energy: -28.816
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: 8.021
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: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -598.846907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.846907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.846907 (E_RNA)
where:
Base-Base interactions energy: -386.855
where: short stacking energy: -187.558
Base-Backbone interact. energy: -0.314
local terms energy: -211.677248
where:
bonds (distance) C4'-P energy: -38.166
bonds (distance) P-C4' energy: -41.976
flat angles C4'-P-C4' energy: -43.005
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -57.050
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: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -538.024247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.024247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.024247 (E_RNA)
where:
Base-Base interactions energy: -357.857
where: short stacking energy: -153.529
Base-Backbone interact. energy: -1.354
local terms energy: -178.813734
where:
bonds (distance) C4'-P energy: -38.505
bonds (distance) P-C4' energy: -39.401
flat angles C4'-P-C4' energy: -41.697
flat angles P-C4'-P energy: -22.736
tors. eta vs tors. theta energy: -36.475
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: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -529.118733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.118733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.118733 (E_RNA)
where:
Base-Base interactions energy: -342.874
where: short stacking energy: -158.060
Base-Backbone interact. energy: 1.351
local terms energy: -187.595631
where:
bonds (distance) C4'-P energy: -35.942
bonds (distance) P-C4' energy: -43.033
flat angles C4'-P-C4' energy: -46.601
flat angles P-C4'-P energy: -29.071
tors. eta vs tors. theta energy: -32.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -493.969783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.969783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.969783 (E_RNA)
where:
Base-Base interactions energy: -331.512
where: short stacking energy: -154.339
Base-Backbone interact. energy: -0.239
local terms energy: -162.218570
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -31.137
flat angles C4'-P-C4' energy: -40.539
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -32.205
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: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -473.443524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.443524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.443524 (E_RNA)
where:
Base-Base interactions energy: -300.159
where: short stacking energy: -144.925
Base-Backbone interact. energy: -1.137
local terms energy: -172.147140
where:
bonds (distance) C4'-P energy: -37.810
bonds (distance) P-C4' energy: -39.942
flat angles C4'-P-C4' energy: -34.690
flat angles P-C4'-P energy: -25.878
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: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -388.192920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.192920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.192920 (E_RNA)
where:
Base-Base interactions energy: -238.346
where: short stacking energy: -128.256
Base-Backbone interact. energy: -1.035
local terms energy: -148.811505
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -39.133
flat angles C4'-P-C4' energy: -33.244
flat angles P-C4'-P energy: -21.909
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: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -352.860332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.860332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.860332 (E_RNA)
where:
Base-Base interactions energy: -199.170
where: short stacking energy: -102.456
Base-Backbone interact. energy: -1.017
local terms energy: -152.673619
where:
bonds (distance) C4'-P energy: -37.734
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -36.611
flat angles P-C4'-P energy: -25.797
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -285.887813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.887813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.887813 (E_RNA)
where:
Base-Base interactions energy: -162.094
where: short stacking energy: -101.490
Base-Backbone interact. energy: -0.307
local terms energy: -123.487207
where:
bonds (distance) C4'-P energy: -29.698
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -10.089
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: 30
Temperature: 1.300000
Total energy: -200.918037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.918037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.918037 (E_RNA)
where:
Base-Base interactions energy: -86.367
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.571
local terms energy: -113.980715
where:
bonds (distance) C4'-P energy: -32.730
bonds (distance) P-C4' energy: -42.727
flat angles C4'-P-C4' energy: -21.354
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -0.843
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: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -170.938466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.938466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.938466 (E_RNA)
where:
Base-Base interactions energy: -63.515
where: short stacking energy: -52.362
Base-Backbone interact. energy: -0.571
local terms energy: -106.851627
where:
bonds (distance) C4'-P energy: -39.664
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -14.983
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: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -606.206842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.206842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.206842 (E_RNA)
where:
Base-Base interactions energy: -392.715
where: short stacking energy: -185.036
Base-Backbone interact. energy: -1.421
local terms energy: -212.070910
where:
bonds (distance) C4'-P energy: -39.040
bonds (distance) P-C4' energy: -36.548
flat angles C4'-P-C4' energy: -41.688
flat angles P-C4'-P energy: -34.900
tors. eta vs tors. theta energy: -59.895
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: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -545.319070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.319070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.319070 (E_RNA)
where:
Base-Base interactions energy: -370.413
where: short stacking energy: -156.998
Base-Backbone interact. energy: -1.602
local terms energy: -173.303808
where:
bonds (distance) C4'-P energy: -34.055
bonds (distance) P-C4' energy: -37.453
flat angles C4'-P-C4' energy: -39.296
flat angles P-C4'-P energy: -26.278
tors. eta vs tors. theta energy: -36.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -523.783212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.783212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.783212 (E_RNA)
where:
Base-Base interactions energy: -349.458
where: short stacking energy: -149.012
Base-Backbone interact. energy: -1.577
local terms energy: -172.747818
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -36.982
flat angles C4'-P-C4' energy: -41.388
flat angles P-C4'-P energy: -26.249
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: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -505.240222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.240222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.240222 (E_RNA)
where:
Base-Base interactions energy: -322.892
where: short stacking energy: -131.447
Base-Backbone interact. energy: -1.221
local terms energy: -181.126679
where:
bonds (distance) C4'-P energy: -38.826
bonds (distance) P-C4' energy: -33.293
flat angles C4'-P-C4' energy: -46.377
flat angles P-C4'-P energy: -26.777
tors. eta vs tors. theta energy: -35.854
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: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -493.062311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.062311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.062311 (E_RNA)
where:
Base-Base interactions energy: -324.140
where: short stacking energy: -150.800
Base-Backbone interact. energy: 1.456
local terms energy: -170.377612
where:
bonds (distance) C4'-P energy: -37.669
bonds (distance) P-C4' energy: -26.039
flat angles C4'-P-C4' energy: -43.110
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: -36.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -382.010040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.010040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.010040 (E_RNA)
where:
Base-Base interactions energy: -229.661
where: short stacking energy: -120.326
Base-Backbone interact. energy: -0.613
local terms energy: -151.735538
where:
bonds (distance) C4'-P energy: -38.920
bonds (distance) P-C4' energy: -30.166
flat angles C4'-P-C4' energy: -41.200
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -24.392
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: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -388.693268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.693268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.693268 (E_RNA)
where:
Base-Base interactions energy: -249.019
where: short stacking energy: -104.889
Base-Backbone interact. energy: -1.525
local terms energy: -138.148929
where:
bonds (distance) C4'-P energy: -32.661
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -38.733
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -279.370681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.370681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.370681 (E_RNA)
where:
Base-Base interactions energy: -139.394
where: short stacking energy: -79.327
Base-Backbone interact. energy: 0.020
local terms energy: -139.996887
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -35.294
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -24.430
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: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -190.365877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.365877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.365877 (E_RNA)
where:
Base-Base interactions energy: -79.115
where: short stacking energy: -59.614
Base-Backbone interact. energy: 1.035
local terms energy: -112.285353
where:
bonds (distance) C4'-P energy: -36.726
bonds (distance) P-C4' energy: -34.011
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: 0.127
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: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -178.718699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.718699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.718699 (E_RNA)
where:
Base-Base interactions energy: -63.825
where: short stacking energy: -42.166
Base-Backbone interact. energy: -0.366
local terms energy: -114.527884
where:
bonds (distance) C4'-P energy: -33.436
bonds (distance) P-C4' energy: -30.974
flat angles C4'-P-C4' energy: -34.357
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -1.211
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: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -595.136855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.136855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.136855 (E_RNA)
where:
Base-Base interactions energy: -387.891
where: short stacking energy: -180.863
Base-Backbone interact. energy: -0.556
local terms energy: -206.689454
where:
bonds (distance) C4'-P energy: -37.747
bonds (distance) P-C4' energy: -41.718
flat angles C4'-P-C4' energy: -47.662
flat angles P-C4'-P energy: -27.239
tors. eta vs tors. theta energy: -52.324
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: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -560.862654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.862654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.862654 (E_RNA)
where:
Base-Base interactions energy: -379.866
where: short stacking energy: -137.819
Base-Backbone interact. energy: -1.317
local terms energy: -179.679167
where:
bonds (distance) C4'-P energy: -32.613
bonds (distance) P-C4' energy: -44.506
flat angles C4'-P-C4' energy: -33.449
flat angles P-C4'-P energy: -33.653
tors. eta vs tors. theta energy: -35.458
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: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -547.812712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.812712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.812712 (E_RNA)
where:
Base-Base interactions energy: -368.083
where: short stacking energy: -166.944
Base-Backbone interact. energy: -1.259
local terms energy: -178.470692
where:
bonds (distance) C4'-P energy: -31.908
bonds (distance) P-C4' energy: -40.107
flat angles C4'-P-C4' energy: -36.925
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -43.726
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: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -539.604048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.604048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.604048 (E_RNA)
where:
Base-Base interactions energy: -362.835
where: short stacking energy: -169.088
Base-Backbone interact. energy: -0.954
local terms energy: -175.814685
where:
bonds (distance) C4'-P energy: -35.680
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -39.678
flat angles P-C4'-P energy: -31.371
tors. eta vs tors. theta energy: -38.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -499.348123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.348123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.348123 (E_RNA)
where:
Base-Base interactions energy: -320.053
where: short stacking energy: -138.440
Base-Backbone interact. energy: 0.346
local terms energy: -179.640474
where:
bonds (distance) C4'-P energy: -38.008
bonds (distance) P-C4' energy: -38.898
flat angles C4'-P-C4' energy: -40.145
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: -33.458
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: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -356.554316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.554316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.554316 (E_RNA)
where:
Base-Base interactions energy: -217.783
where: short stacking energy: -99.011
Base-Backbone interact. energy: -1.126
local terms energy: -137.644520
where:
bonds (distance) C4'-P energy: -31.976
bonds (distance) P-C4' energy: -35.530
flat angles C4'-P-C4' energy: -34.402
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -430.680780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.680780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.680780 (E_RNA)
where:
Base-Base interactions energy: -282.888
where: short stacking energy: -117.265
Base-Backbone interact. energy: -0.329
local terms energy: -147.463887
where:
bonds (distance) C4'-P energy: -32.567
bonds (distance) P-C4' energy: -35.925
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -32.964
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: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -272.756956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.756956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.756956 (E_RNA)
where:
Base-Base interactions energy: -153.282
where: short stacking energy: -87.876
Base-Backbone interact. energy: -0.356
local terms energy: -119.119047
where:
bonds (distance) C4'-P energy: -33.766
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -8.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -205.927981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.927981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.927981 (E_RNA)
where:
Base-Base interactions energy: -81.370
where: short stacking energy: -68.593
Base-Backbone interact. energy: -0.360
local terms energy: -124.198134
where:
bonds (distance) C4'-P energy: -32.394
bonds (distance) P-C4' energy: -37.809
flat angles C4'-P-C4' energy: -36.559
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: 0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -152.836480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.836480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.836480 (E_RNA)
where:
Base-Base interactions energy: -56.474
where: short stacking energy: -56.474
Base-Backbone interact. energy: 0.678
local terms energy: -97.040562
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -27.137
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: 7.897
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: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -606.470387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.470387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.470387 (E_RNA)
where:
Base-Base interactions energy: -405.024
where: short stacking energy: -192.863
Base-Backbone interact. energy: 0.496
local terms energy: -201.943378
where:
bonds (distance) C4'-P energy: -39.827
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -41.838
flat angles P-C4'-P energy: -32.564
tors. eta vs tors. theta energy: -52.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -562.383234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.383234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.383234 (E_RNA)
where:
Base-Base interactions energy: -382.871
where: short stacking energy: -156.500
Base-Backbone interact. energy: -0.759
local terms energy: -178.753146
where:
bonds (distance) C4'-P energy: -37.766
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -36.755
flat angles P-C4'-P energy: -27.842
tors. eta vs tors. theta energy: -39.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -538.589644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.589644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.589644 (E_RNA)
where:
Base-Base interactions energy: -358.239
where: short stacking energy: -160.356
Base-Backbone interact. energy: -1.307
local terms energy: -179.044146
where:
bonds (distance) C4'-P energy: -34.664
bonds (distance) P-C4' energy: -42.617
flat angles C4'-P-C4' energy: -39.336
flat angles P-C4'-P energy: -19.387
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: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -537.831592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.831592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.831592 (E_RNA)
where:
Base-Base interactions energy: -356.321
where: short stacking energy: -168.481
Base-Backbone interact. energy: 0.490
local terms energy: -182.000529
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -41.976
flat angles C4'-P-C4' energy: -38.837
flat angles P-C4'-P energy: -29.619
tors. eta vs tors. theta energy: -39.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -483.707246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.707246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.707246 (E_RNA)
where:
Base-Base interactions energy: -323.239
where: short stacking energy: -132.638
Base-Backbone interact. energy: -0.468
local terms energy: -160.000083
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -38.872
flat angles C4'-P-C4' energy: -37.792
flat angles P-C4'-P energy: -30.138
tors. eta vs tors. theta energy: -25.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -458.563260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.563260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.563260 (E_RNA)
where:
Base-Base interactions energy: -310.246
where: short stacking energy: -140.240
Base-Backbone interact. energy: -0.454
local terms energy: -147.862501
where:
bonds (distance) C4'-P energy: -28.808
bonds (distance) P-C4' energy: -40.904
flat angles C4'-P-C4' energy: -35.613
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -27.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -343.728256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.728256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.728256 (E_RNA)
where:
Base-Base interactions energy: -198.979
where: short stacking energy: -92.505
Base-Backbone interact. energy: -1.165
local terms energy: -143.583821
where:
bonds (distance) C4'-P energy: -32.867
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -39.018
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -295.741803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.741803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.741803 (E_RNA)
where:
Base-Base interactions energy: -178.269
where: short stacking energy: -88.749
Base-Backbone interact. energy: -0.824
local terms energy: -116.648834
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -191.537677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.537677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.537677 (E_RNA)
where:
Base-Base interactions energy: -54.042
where: short stacking energy: -53.589
Base-Backbone interact. energy: 2.817
local terms energy: -140.312547
where:
bonds (distance) C4'-P energy: -35.818
bonds (distance) P-C4' energy: -38.586
flat angles C4'-P-C4' energy: -43.632
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -4.464
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: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -180.885866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.885866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.885866 (E_RNA)
where:
Base-Base interactions energy: -77.831
where: short stacking energy: -67.255
Base-Backbone interact. energy: 3.629
local terms energy: -106.684498
where:
bonds (distance) C4'-P energy: -28.103
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -32.151
flat angles P-C4'-P energy: -21.697
tors. eta vs tors. theta energy: 2.731
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: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -594.699195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.699195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.699195 (E_RNA)
where:
Base-Base interactions energy: -411.561
where: short stacking energy: -169.222
Base-Backbone interact. energy: -1.393
local terms energy: -181.745233
where:
bonds (distance) C4'-P energy: -35.109
bonds (distance) P-C4' energy: -41.137
flat angles C4'-P-C4' energy: -38.977
flat angles P-C4'-P energy: -23.904
tors. eta vs tors. theta energy: -42.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -587.212055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.212055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.212055 (E_RNA)
where:
Base-Base interactions energy: -396.330
where: short stacking energy: -182.193
Base-Backbone interact. energy: -0.719
local terms energy: -190.163059
where:
bonds (distance) C4'-P energy: -33.787
bonds (distance) P-C4' energy: -36.146
flat angles C4'-P-C4' energy: -40.709
flat angles P-C4'-P energy: -34.272
tors. eta vs tors. theta energy: -45.249
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: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -533.949057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.949057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.949057 (E_RNA)
where:
Base-Base interactions energy: -366.667
where: short stacking energy: -157.160
Base-Backbone interact. energy: 1.257
local terms energy: -168.539813
where:
bonds (distance) C4'-P energy: -33.117
bonds (distance) P-C4' energy: -41.671
flat angles C4'-P-C4' energy: -32.503
flat angles P-C4'-P energy: -25.485
tors. eta vs tors. theta energy: -35.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -528.874239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.874239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.874239 (E_RNA)
where:
Base-Base interactions energy: -362.684
where: short stacking energy: -163.943
Base-Backbone interact. energy: -1.882
local terms energy: -164.308077
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -37.761
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -37.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -485.823869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.823869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.823869 (E_RNA)
where:
Base-Base interactions energy: -299.888
where: short stacking energy: -146.778
Base-Backbone interact. energy: -0.132
local terms energy: -185.804051
where:
bonds (distance) C4'-P energy: -38.389
bonds (distance) P-C4' energy: -34.450
flat angles C4'-P-C4' energy: -41.407
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -44.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -476.851216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.851216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.851216 (E_RNA)
where:
Base-Base interactions energy: -315.577
where: short stacking energy: -131.670
Base-Backbone interact. energy: 1.368
local terms energy: -162.641636
where:
bonds (distance) C4'-P energy: -32.664
bonds (distance) P-C4' energy: -34.121
flat angles C4'-P-C4' energy: -33.052
flat angles P-C4'-P energy: -24.806
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: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -345.534658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.534658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.534658 (E_RNA)
where:
Base-Base interactions energy: -205.887
where: short stacking energy: -100.520
Base-Backbone interact. energy: -1.792
local terms energy: -137.855703
where:
bonds (distance) C4'-P energy: -29.522
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -30.617
flat angles P-C4'-P energy: -24.293
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -287.174559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.174559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.174559 (E_RNA)
where:
Base-Base interactions energy: -139.033
where: short stacking energy: -85.217
Base-Backbone interact. energy: 0.770
local terms energy: -148.911105
where:
bonds (distance) C4'-P energy: -37.183
bonds (distance) P-C4' energy: -37.946
flat angles C4'-P-C4' energy: -36.291
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -9.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -170.769554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.769554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.769554 (E_RNA)
where:
Base-Base interactions energy: -62.076
where: short stacking energy: -51.691
Base-Backbone interact. energy: -1.667
local terms energy: -107.027068
where:
bonds (distance) C4'-P energy: -28.258
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -29.947
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: 0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -183.214999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.214999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.214999 (E_RNA)
where:
Base-Base interactions energy: -63.822
where: short stacking energy: -51.921
Base-Backbone interact. energy: -0.524
local terms energy: -118.868608
where:
bonds (distance) C4'-P energy: -31.477
bonds (distance) P-C4' energy: -39.918
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -603.312418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.312418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.312418 (E_RNA)
where:
Base-Base interactions energy: -405.748
where: short stacking energy: -167.230
Base-Backbone interact. energy: -3.796
local terms energy: -193.768421
where:
bonds (distance) C4'-P energy: -39.833
bonds (distance) P-C4' energy: -39.394
flat angles C4'-P-C4' energy: -42.166
flat angles P-C4'-P energy: -28.422
tors. eta vs tors. theta energy: -43.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -578.606025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.606025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.606025 (E_RNA)
where:
Base-Base interactions energy: -373.660
where: short stacking energy: -170.516
Base-Backbone interact. energy: -1.569
local terms energy: -203.377149
where:
bonds (distance) C4'-P energy: -38.241
bonds (distance) P-C4' energy: -40.552
flat angles C4'-P-C4' energy: -41.444
flat angles P-C4'-P energy: -31.002
tors. eta vs tors. theta energy: -52.138
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: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -543.902798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.902798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.902798 (E_RNA)
where:
Base-Base interactions energy: -371.374
where: short stacking energy: -170.641
Base-Backbone interact. energy: -0.853
local terms energy: -171.675630
where:
bonds (distance) C4'-P energy: -37.206
bonds (distance) P-C4' energy: -32.419
flat angles C4'-P-C4' energy: -41.086
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -40.290
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: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -517.980231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.980231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.980231 (E_RNA)
where:
Base-Base interactions energy: -361.144
where: short stacking energy: -153.849
Base-Backbone interact. energy: -2.596
local terms energy: -154.240282
where:
bonds (distance) C4'-P energy: -30.753
bonds (distance) P-C4' energy: -26.942
flat angles C4'-P-C4' energy: -46.805
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -40.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -505.891396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.891396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.891396 (E_RNA)
where:
Base-Base interactions energy: -330.192
where: short stacking energy: -143.866
Base-Backbone interact. energy: -0.821
local terms energy: -174.878224
where:
bonds (distance) C4'-P energy: -36.149
bonds (distance) P-C4' energy: -31.683
flat angles C4'-P-C4' energy: -42.484
flat angles P-C4'-P energy: -24.747
tors. eta vs tors. theta energy: -39.815
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: 3
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -460.983322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.983322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.983322 (E_RNA)
where:
Base-Base interactions energy: -301.752
where: short stacking energy: -135.892
Base-Backbone interact. energy: -0.252
local terms energy: -158.979322
where:
bonds (distance) C4'-P energy: -27.137
bonds (distance) P-C4' energy: -33.509
flat angles C4'-P-C4' energy: -39.464
flat angles P-C4'-P energy: -27.226
tors. eta vs tors. theta energy: -31.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -381.382202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.382202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.382202 (E_RNA)
where:
Base-Base interactions energy: -223.361
where: short stacking energy: -99.044
Base-Backbone interact. energy: -1.188
local terms energy: -156.833042
where:
bonds (distance) C4'-P energy: -40.089
bonds (distance) P-C4' energy: -38.461
flat angles C4'-P-C4' energy: -35.035
flat angles P-C4'-P energy: -22.763
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -301.254198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.254198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.254198 (E_RNA)
where:
Base-Base interactions energy: -169.249
where: short stacking energy: -92.741
Base-Backbone interact. energy: -0.032
local terms energy: -131.973066
where:
bonds (distance) C4'-P energy: -44.017
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -34.512
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -16.759
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: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -213.041510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.041510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.041510 (E_RNA)
where:
Base-Base interactions energy: -114.836
where: short stacking energy: -60.337
Base-Backbone interact. energy: -0.594
local terms energy: -97.612450
where:
bonds (distance) C4'-P energy: -30.453
bonds (distance) P-C4' energy: -31.594
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -0.273
tors. eta vs tors. theta energy: -2.301
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: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -173.113649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.113649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.113649 (E_RNA)
where:
Base-Base interactions energy: -63.438
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.304
local terms energy: -109.371508
where:
bonds (distance) C4'-P energy: -29.698
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -592.237937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.237937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.237937 (E_RNA)
where:
Base-Base interactions energy: -395.390
where: short stacking energy: -183.651
Base-Backbone interact. energy: -1.664
local terms energy: -195.183995
where:
bonds (distance) C4'-P energy: -38.515
bonds (distance) P-C4' energy: -35.992
flat angles C4'-P-C4' energy: -43.838
flat angles P-C4'-P energy: -24.093
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: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -581.650226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.650226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.650226 (E_RNA)
where:
Base-Base interactions energy: -401.555
where: short stacking energy: -156.652
Base-Backbone interact. energy: -0.286
local terms energy: -179.809272
where:
bonds (distance) C4'-P energy: -34.708
bonds (distance) P-C4' energy: -43.670
flat angles C4'-P-C4' energy: -31.543
flat angles P-C4'-P energy: -25.401
tors. eta vs tors. theta energy: -44.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -541.232555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.232555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.232555 (E_RNA)
where:
Base-Base interactions energy: -362.511
where: short stacking energy: -164.523
Base-Backbone interact. energy: -0.601
local terms energy: -178.120100
where:
bonds (distance) C4'-P energy: -35.216
bonds (distance) P-C4' energy: -34.437
flat angles C4'-P-C4' energy: -42.933
flat angles P-C4'-P energy: -25.758
tors. eta vs tors. theta energy: -39.775
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: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -480.110625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.110625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.110625 (E_RNA)
where:
Base-Base interactions energy: -304.476
where: short stacking energy: -140.939
Base-Backbone interact. energy: -0.644
local terms energy: -174.990464
where:
bonds (distance) C4'-P energy: -37.571
bonds (distance) P-C4' energy: -39.730
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -27.845
tors. eta vs tors. theta energy: -36.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -530.210898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.210898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.210898 (E_RNA)
where:
Base-Base interactions energy: -341.108
where: short stacking energy: -163.783
Base-Backbone interact. energy: -0.076
local terms energy: -189.027319
where:
bonds (distance) C4'-P energy: -38.320
bonds (distance) P-C4' energy: -40.538
flat angles C4'-P-C4' energy: -39.443
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -45.932
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: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -464.904891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.904891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.904891 (E_RNA)
where:
Base-Base interactions energy: -296.329
where: short stacking energy: -140.321
Base-Backbone interact. energy: -0.423
local terms energy: -168.152542
where:
bonds (distance) C4'-P energy: -31.930
bonds (distance) P-C4' energy: -41.049
flat angles C4'-P-C4' energy: -34.983
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: -35.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -332.915123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.915123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.915123 (E_RNA)
where:
Base-Base interactions energy: -205.117
where: short stacking energy: -99.444
Base-Backbone interact. energy: 0.397
local terms energy: -128.195507
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -38.707
flat angles C4'-P-C4' energy: -26.411
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -357.920067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.920067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.920067 (E_RNA)
where:
Base-Base interactions energy: -220.016
where: short stacking energy: -97.022
Base-Backbone interact. energy: -0.193
local terms energy: -137.711596
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -45.347
flat angles C4'-P-C4' energy: -36.233
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: -14.220
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: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -239.505566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.505566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.505566 (E_RNA)
where:
Base-Base interactions energy: -128.261
where: short stacking energy: -70.643
Base-Backbone interact. energy: -0.246
local terms energy: -110.999419
where:
bonds (distance) C4'-P energy: -31.815
bonds (distance) P-C4' energy: -24.973
flat angles C4'-P-C4' energy: -35.997
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -185.561793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.561793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.561793 (E_RNA)
where:
Base-Base interactions energy: -86.922
where: short stacking energy: -73.735
Base-Backbone interact. energy: -0.546
local terms energy: -98.093740
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -38.508
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -651.928075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.928075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.928075 (E_RNA)
where:
Base-Base interactions energy: -460.013
where: short stacking energy: -192.188
Base-Backbone interact. energy: -1.318
local terms energy: -190.596605
where:
bonds (distance) C4'-P energy: -37.110
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -42.198
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -54.047
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: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -561.600536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.600536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.600536 (E_RNA)
where:
Base-Base interactions energy: -388.474
where: short stacking energy: -156.326
Base-Backbone interact. energy: -0.332
local terms energy: -172.795276
where:
bonds (distance) C4'-P energy: -30.757
bonds (distance) P-C4' energy: -40.795
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -40.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -536.673675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.673675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.673675 (E_RNA)
where:
Base-Base interactions energy: -350.298
where: short stacking energy: -155.531
Base-Backbone interact. energy: 0.299
local terms energy: -186.674997
where:
bonds (distance) C4'-P energy: -37.772
bonds (distance) P-C4' energy: -39.224
flat angles C4'-P-C4' energy: -40.414
flat angles P-C4'-P energy: -26.605
tors. eta vs tors. theta energy: -42.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -476.583199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.583199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.583199 (E_RNA)
where:
Base-Base interactions energy: -311.429
where: short stacking energy: -134.162
Base-Backbone interact. energy: -0.118
local terms energy: -165.036145
where:
bonds (distance) C4'-P energy: -36.964
bonds (distance) P-C4' energy: -41.985
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -22.719
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: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -505.011078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.011078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.011078 (E_RNA)
where:
Base-Base interactions energy: -322.191
where: short stacking energy: -159.987
Base-Backbone interact. energy: -1.832
local terms energy: -180.988901
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -36.856
flat angles C4'-P-C4' energy: -46.850
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -47.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -476.320052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.320052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.320052 (E_RNA)
where:
Base-Base interactions energy: -304.086
where: short stacking energy: -134.845
Base-Backbone interact. energy: -0.107
local terms energy: -172.127124
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -40.558
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -30.759
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: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -341.243231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.243231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.243231 (E_RNA)
where:
Base-Base interactions energy: -200.227
where: short stacking energy: -102.584
Base-Backbone interact. energy: -1.054
local terms energy: -139.962192
where:
bonds (distance) C4'-P energy: -26.925
bonds (distance) P-C4' energy: -30.980
flat angles C4'-P-C4' energy: -38.631
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -24.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -315.609170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.609170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.609170 (E_RNA)
where:
Base-Base interactions energy: -187.357
where: short stacking energy: -92.335
Base-Backbone interact. energy: -0.377
local terms energy: -127.874888
where:
bonds (distance) C4'-P energy: -39.916
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -30.685
tors. eta vs tors. theta energy: -5.460
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: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -209.569831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.569831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.569831 (E_RNA)
where:
Base-Base interactions energy: -94.217
where: short stacking energy: -89.783
Base-Backbone interact. energy: 1.359
local terms energy: -116.712099
where:
bonds (distance) C4'-P energy: -37.531
bonds (distance) P-C4' energy: -31.576
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -222.355146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.355146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.355146 (E_RNA)
where:
Base-Base interactions energy: -107.136
where: short stacking energy: -63.368
Base-Backbone interact. energy: 0.651
local terms energy: -115.870648
where:
bonds (distance) C4'-P energy: -43.137
bonds (distance) P-C4' energy: -31.163
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: 3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -636.328891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.328891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.328891 (E_RNA)
where:
Base-Base interactions energy: -438.515
where: short stacking energy: -169.145
Base-Backbone interact. energy: -1.702
local terms energy: -196.111413
where:
bonds (distance) C4'-P energy: -38.045
bonds (distance) P-C4' energy: -38.088
flat angles C4'-P-C4' energy: -42.013
flat angles P-C4'-P energy: -31.178
tors. eta vs tors. theta energy: -46.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -552.066658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.066658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.066658 (E_RNA)
where:
Base-Base interactions energy: -374.168
where: short stacking energy: -155.272
Base-Backbone interact. energy: 0.299
local terms energy: -178.197736
where:
bonds (distance) C4'-P energy: -31.140
bonds (distance) P-C4' energy: -40.417
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -30.332
tors. eta vs tors. theta energy: -41.074
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: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -550.817035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.817035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.817035 (E_RNA)
where:
Base-Base interactions energy: -364.810
where: short stacking energy: -168.638
Base-Backbone interact. energy: 0.437
local terms energy: -186.443575
where:
bonds (distance) C4'-P energy: -42.807
bonds (distance) P-C4' energy: -37.765
flat angles C4'-P-C4' energy: -39.862
flat angles P-C4'-P energy: -27.775
tors. eta vs tors. theta energy: -38.235
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: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -498.032895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.032895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.032895 (E_RNA)
where:
Base-Base interactions energy: -317.537
where: short stacking energy: -161.986
Base-Backbone interact. energy: -0.866
local terms energy: -179.630130
where:
bonds (distance) C4'-P energy: -34.364
bonds (distance) P-C4' energy: -36.527
flat angles C4'-P-C4' energy: -37.002
flat angles P-C4'-P energy: -27.588
tors. eta vs tors. theta energy: -44.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -487.989422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.989422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.989422 (E_RNA)
where:
Base-Base interactions energy: -327.060
where: short stacking energy: -151.910
Base-Backbone interact. energy: 1.505
local terms energy: -162.434101
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -36.871
flat angles C4'-P-C4' energy: -30.999
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -40.546
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: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -502.993831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.993831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.993831 (E_RNA)
where:
Base-Base interactions energy: -330.413
where: short stacking energy: -133.442
Base-Backbone interact. energy: 0.147
local terms energy: -172.727803
where:
bonds (distance) C4'-P energy: -37.924
bonds (distance) P-C4' energy: -42.973
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -33.856
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: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -307.114501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.114501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.114501 (E_RNA)
where:
Base-Base interactions energy: -154.050
where: short stacking energy: -93.072
Base-Backbone interact. energy: -0.825
local terms energy: -152.239818
where:
bonds (distance) C4'-P energy: -40.258
bonds (distance) P-C4' energy: -37.172
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -17.099
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: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -271.877464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.877464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.877464 (E_RNA)
where:
Base-Base interactions energy: -151.275
where: short stacking energy: -83.723
Base-Backbone interact. energy: -2.810
local terms energy: -117.792170
where:
bonds (distance) C4'-P energy: -31.274
bonds (distance) P-C4' energy: -24.934
flat angles C4'-P-C4' energy: -36.989
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: 0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -238.735895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.735895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.735895 (E_RNA)
where:
Base-Base interactions energy: -119.938
where: short stacking energy: -78.848
Base-Backbone interact. energy: -0.363
local terms energy: -118.434978
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -31.773
flat angles C4'-P-C4' energy: -37.121
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -0.026
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: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -181.642928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.642928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.642928 (E_RNA)
where:
Base-Base interactions energy: -66.203
where: short stacking energy: -58.096
Base-Backbone interact. energy: -0.951
local terms energy: -114.488648
where:
bonds (distance) C4'-P energy: -35.350
bonds (distance) P-C4' energy: -33.838
flat angles C4'-P-C4' energy: -31.036
flat angles P-C4'-P energy: -14.638
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: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -629.316838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.316838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.316838 (E_RNA)
where:
Base-Base interactions energy: -431.308
where: short stacking energy: -180.199
Base-Backbone interact. energy: -2.578
local terms energy: -195.430809
where:
bonds (distance) C4'-P energy: -35.275
bonds (distance) P-C4' energy: -43.309
flat angles C4'-P-C4' energy: -34.636
flat angles P-C4'-P energy: -27.793
tors. eta vs tors. theta energy: -54.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -557.711810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.711810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.711810 (E_RNA)
where:
Base-Base interactions energy: -379.875
where: short stacking energy: -161.366
Base-Backbone interact. energy: -0.779
local terms energy: -177.058047
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -46.214
flat angles C4'-P-C4' energy: -40.074
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -37.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -530.646889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.646889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.646889 (E_RNA)
where:
Base-Base interactions energy: -348.278
where: short stacking energy: -151.458
Base-Backbone interact. energy: -0.814
local terms energy: -181.555461
where:
bonds (distance) C4'-P energy: -38.004
bonds (distance) P-C4' energy: -38.033
flat angles C4'-P-C4' energy: -41.609
flat angles P-C4'-P energy: -29.637
tors. eta vs tors. theta energy: -34.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -518.287421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.287421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.287421 (E_RNA)
where:
Base-Base interactions energy: -354.260
where: short stacking energy: -165.268
Base-Backbone interact. energy: 0.272
local terms energy: -164.299223
where:
bonds (distance) C4'-P energy: -24.872
bonds (distance) P-C4' energy: -40.460
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -27.704
tors. eta vs tors. theta energy: -37.009
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: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -499.314353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.314353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.314353 (E_RNA)
where:
Base-Base interactions energy: -329.412
where: short stacking energy: -148.535
Base-Backbone interact. energy: -1.738
local terms energy: -168.164291
where:
bonds (distance) C4'-P energy: -36.358
bonds (distance) P-C4' energy: -29.378
flat angles C4'-P-C4' energy: -34.043
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: -41.627
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: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -494.958873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.958873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.958873 (E_RNA)
where:
Base-Base interactions energy: -331.494
where: short stacking energy: -132.844
Base-Backbone interact. energy: 0.928
local terms energy: -164.393502
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -40.559
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -34.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -287.050227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.050227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.050227 (E_RNA)
where:
Base-Base interactions energy: -148.428
where: short stacking energy: -81.734
Base-Backbone interact. energy: 1.724
local terms energy: -140.345697
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -41.311
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -13.725
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: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -259.704968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.704968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.704968 (E_RNA)
where:
Base-Base interactions energy: -123.742
where: short stacking energy: -67.489
Base-Backbone interact. energy: 1.986
local terms energy: -137.948930
where:
bonds (distance) C4'-P energy: -35.801
bonds (distance) P-C4' energy: -37.296
flat angles C4'-P-C4' energy: -32.160
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -185.416730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.416730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.416730 (E_RNA)
where:
Base-Base interactions energy: -83.795
where: short stacking energy: -68.578
Base-Backbone interact. energy: -1.149
local terms energy: -100.473033
where:
bonds (distance) C4'-P energy: -32.628
bonds (distance) P-C4' energy: -32.153
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -8.892
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: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -168.899256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.899256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.899256 (E_RNA)
where:
Base-Base interactions energy: -87.881
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.134
local terms energy: -80.884187
where:
bonds (distance) C4'-P energy: -33.643
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: 12.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -634.363225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.363225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.363225 (E_RNA)
where:
Base-Base interactions energy: -436.514
where: short stacking energy: -180.351
Base-Backbone interact. energy: -1.799
local terms energy: -196.050054
where:
bonds (distance) C4'-P energy: -36.439
bonds (distance) P-C4' energy: -37.801
flat angles C4'-P-C4' energy: -42.941
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -47.980
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: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -561.859891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.859891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.859891 (E_RNA)
where:
Base-Base interactions energy: -369.259
where: short stacking energy: -152.810
Base-Backbone interact. energy: 0.454
local terms energy: -193.054226
where:
bonds (distance) C4'-P energy: -40.458
bonds (distance) P-C4' energy: -42.573
flat angles C4'-P-C4' energy: -46.344
flat angles P-C4'-P energy: -27.610
tors. eta vs tors. theta energy: -36.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -536.394829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.394829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.394829 (E_RNA)
where:
Base-Base interactions energy: -350.149
where: short stacking energy: -151.804
Base-Backbone interact. energy: -0.508
local terms energy: -185.738042
where:
bonds (distance) C4'-P energy: -36.797
bonds (distance) P-C4' energy: -38.507
flat angles C4'-P-C4' energy: -39.313
flat angles P-C4'-P energy: -31.030
tors. eta vs tors. theta energy: -40.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -498.941167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.941167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.941167 (E_RNA)
where:
Base-Base interactions energy: -321.566
where: short stacking energy: -146.314
Base-Backbone interact. energy: 1.097
local terms energy: -178.473016
where:
bonds (distance) C4'-P energy: -39.396
bonds (distance) P-C4' energy: -41.924
flat angles C4'-P-C4' energy: -36.323
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -34.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -530.554996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.554996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.554996 (E_RNA)
where:
Base-Base interactions energy: -361.516
where: short stacking energy: -144.565
Base-Backbone interact. energy: -0.315
local terms energy: -168.724713
where:
bonds (distance) C4'-P energy: -33.708
bonds (distance) P-C4' energy: -35.138
flat angles C4'-P-C4' energy: -33.196
flat angles P-C4'-P energy: -27.447
tors. eta vs tors. theta energy: -39.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -446.134183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.134183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.134183 (E_RNA)
where:
Base-Base interactions energy: -290.465
where: short stacking energy: -127.578
Base-Backbone interact. energy: 0.392
local terms energy: -156.061549
where:
bonds (distance) C4'-P energy: -28.066
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -36.296
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -33.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -301.082763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.082763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.082763 (E_RNA)
where:
Base-Base interactions energy: -176.689
where: short stacking energy: -112.849
Base-Backbone interact. energy: -0.028
local terms energy: -124.365548
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -36.993
flat angles C4'-P-C4' energy: -32.497
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -314.231124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.231124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.231124 (E_RNA)
where:
Base-Base interactions energy: -184.505
where: short stacking energy: -94.655
Base-Backbone interact. energy: -1.304
local terms energy: -128.421320
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -38.530
flat angles C4'-P-C4' energy: -36.156
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -7.907
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: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -197.668694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.668694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.668694 (E_RNA)
where:
Base-Base interactions energy: -63.697
where: short stacking energy: -61.074
Base-Backbone interact. energy: -0.155
local terms energy: -133.816521
where:
bonds (distance) C4'-P energy: -43.433
bonds (distance) P-C4' energy: -38.911
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -24.916
tors. eta vs tors. theta energy: -7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -189.610161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.610161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.610161 (E_RNA)
where:
Base-Base interactions energy: -59.638
where: short stacking energy: -55.747
Base-Backbone interact. energy: 0.917
local terms energy: -130.889609
where:
bonds (distance) C4'-P energy: -36.974
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -38.794
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: 1.458
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: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -632.416043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.416043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.416043 (E_RNA)
where:
Base-Base interactions energy: -442.456
where: short stacking energy: -173.165
Base-Backbone interact. energy: -2.826
local terms energy: -187.133418
where:
bonds (distance) C4'-P energy: -35.715
bonds (distance) P-C4' energy: -33.379
flat angles C4'-P-C4' energy: -42.435
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -47.184
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: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -547.940613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.940613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.940613 (E_RNA)
where:
Base-Base interactions energy: -367.877
where: short stacking energy: -166.917
Base-Backbone interact. energy: -0.803
local terms energy: -179.260426
where:
bonds (distance) C4'-P energy: -29.569
bonds (distance) P-C4' energy: -37.452
flat angles C4'-P-C4' energy: -41.853
flat angles P-C4'-P energy: -25.887
tors. eta vs tors. theta energy: -44.500
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: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -546.871136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.871136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.871136 (E_RNA)
where:
Base-Base interactions energy: -359.496
where: short stacking energy: -164.181
Base-Backbone interact. energy: -1.703
local terms energy: -185.671912
where:
bonds (distance) C4'-P energy: -37.837
bonds (distance) P-C4' energy: -40.810
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -41.661
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: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -548.689419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.689419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.689419 (E_RNA)
where:
Base-Base interactions energy: -365.981
where: short stacking energy: -154.003
Base-Backbone interact. energy: -0.561
local terms energy: -182.147947
where:
bonds (distance) C4'-P energy: -35.430
bonds (distance) P-C4' energy: -33.369
flat angles C4'-P-C4' energy: -46.093
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: -40.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -474.725867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.725867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.725867 (E_RNA)
where:
Base-Base interactions energy: -313.282
where: short stacking energy: -142.945
Base-Backbone interact. energy: -3.297
local terms energy: -158.146524
where:
bonds (distance) C4'-P energy: -36.522
bonds (distance) P-C4' energy: -35.794
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -36.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -432.861328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.861328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.861328 (E_RNA)
where:
Base-Base interactions energy: -270.940
where: short stacking energy: -133.475
Base-Backbone interact. energy: -0.738
local terms energy: -161.182932
where:
bonds (distance) C4'-P energy: -37.113
bonds (distance) P-C4' energy: -31.905
flat angles C4'-P-C4' energy: -36.125
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -31.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -294.515748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.515748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.515748 (E_RNA)
where:
Base-Base interactions energy: -159.022
where: short stacking energy: -92.463
Base-Backbone interact. energy: 0.168
local terms energy: -135.661922
where:
bonds (distance) C4'-P energy: -28.589
bonds (distance) P-C4' energy: -36.349
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -15.358
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: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -322.299740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.299740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.299740 (E_RNA)
where:
Base-Base interactions energy: -188.006
where: short stacking energy: -94.977
Base-Backbone interact. energy: 2.234
local terms energy: -136.528409
where:
bonds (distance) C4'-P energy: -28.737
bonds (distance) P-C4' energy: -38.274
flat angles C4'-P-C4' energy: -28.286
flat angles P-C4'-P energy: -26.880
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -177.468443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.468443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.468443 (E_RNA)
where:
Base-Base interactions energy: -59.908
where: short stacking energy: -57.829
Base-Backbone interact. energy: -0.717
local terms energy: -116.844138
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -32.497
flat angles C4'-P-C4' energy: -36.093
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -0.432
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: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -177.669406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.669406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.669406 (E_RNA)
where:
Base-Base interactions energy: -73.615
where: short stacking energy: -60.195
Base-Backbone interact. energy: -0.471
local terms energy: -103.583695
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -31.302
flat angles C4'-P-C4' energy: -32.415
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: 2.017
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: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -571.153177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.153177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.153177 (E_RNA)
where:
Base-Base interactions energy: -393.042
where: short stacking energy: -162.906
Base-Backbone interact. energy: -0.265
local terms energy: -177.846274
where:
bonds (distance) C4'-P energy: -37.402
bonds (distance) P-C4' energy: -35.748
flat angles C4'-P-C4' energy: -41.794
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -38.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -632.649253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.649253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.649253 (E_RNA)
where:
Base-Base interactions energy: -436.714
where: short stacking energy: -173.544
Base-Backbone interact. energy: -3.280
local terms energy: -192.656161
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -40.443
flat angles C4'-P-C4' energy: -40.577
flat angles P-C4'-P energy: -33.099
tors. eta vs tors. theta energy: -47.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -577.384734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.384734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.384734 (E_RNA)
where:
Base-Base interactions energy: -386.574
where: short stacking energy: -154.562
Base-Backbone interact. energy: -1.756
local terms energy: -189.054877
where:
bonds (distance) C4'-P energy: -29.403
bonds (distance) P-C4' energy: -41.673
flat angles C4'-P-C4' energy: -43.240
flat angles P-C4'-P energy: -33.089
tors. eta vs tors. theta energy: -41.650
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: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -539.550182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.550182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.550182 (E_RNA)
where:
Base-Base interactions energy: -364.933
where: short stacking energy: -155.523
Base-Backbone interact. energy: -0.602
local terms energy: -174.015202
where:
bonds (distance) C4'-P energy: -40.530
bonds (distance) P-C4' energy: -34.568
flat angles C4'-P-C4' energy: -36.067
flat angles P-C4'-P energy: -31.381
tors. eta vs tors. theta energy: -31.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -480.877555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.877555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.877555 (E_RNA)
where:
Base-Base interactions energy: -319.717
where: short stacking energy: -142.266
Base-Backbone interact. energy: -1.728
local terms energy: -159.433125
where:
bonds (distance) C4'-P energy: -40.461
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -18.751
tors. eta vs tors. theta energy: -36.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -477.773107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.773107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.773107 (E_RNA)
where:
Base-Base interactions energy: -316.717
where: short stacking energy: -144.407
Base-Backbone interact. energy: 1.311
local terms energy: -162.367380
where:
bonds (distance) C4'-P energy: -31.301
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -40.179
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -39.150
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: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -341.002291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.002291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.002291 (E_RNA)
where:
Base-Base interactions energy: -202.141
where: short stacking energy: -88.568
Base-Backbone interact. energy: -0.603
local terms energy: -138.258245
where:
bonds (distance) C4'-P energy: -32.214
bonds (distance) P-C4' energy: -39.047
flat angles C4'-P-C4' energy: -36.507
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -15.795
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: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -289.143729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.143729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.143729 (E_RNA)
where:
Base-Base interactions energy: -161.393
where: short stacking energy: -76.836
Base-Backbone interact. energy: -1.065
local terms energy: -126.685641
where:
bonds (distance) C4'-P energy: -27.485
bonds (distance) P-C4' energy: -38.428
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -20.677
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: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -181.230431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.230431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.230431 (E_RNA)
where:
Base-Base interactions energy: -62.244
where: short stacking energy: -61.661
Base-Backbone interact. energy: 0.182
local terms energy: -119.169294
where:
bonds (distance) C4'-P energy: -40.653
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -28.546
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -9.898
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: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -170.569185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.569185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.569185 (E_RNA)
where:
Base-Base interactions energy: -51.074
where: short stacking energy: -35.617
Base-Backbone interact. energy: 3.186
local terms energy: -122.680485
where:
bonds (distance) C4'-P energy: -30.000
bonds (distance) P-C4' energy: -40.756
flat angles C4'-P-C4' energy: -31.662
flat angles P-C4'-P energy: -26.057
tors. eta vs tors. theta energy: 5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -584.504070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.504070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.504070 (E_RNA)
where:
Base-Base interactions energy: -400.637
where: short stacking energy: -162.317
Base-Backbone interact. energy: -1.353
local terms energy: -182.514343
where:
bonds (distance) C4'-P energy: -39.954
bonds (distance) P-C4' energy: -35.379
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -40.132
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: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -626.897849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.897849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.897849 (E_RNA)
where:
Base-Base interactions energy: -432.198
where: short stacking energy: -186.042
Base-Backbone interact. energy: -1.684
local terms energy: -193.015681
where:
bonds (distance) C4'-P energy: -38.921
bonds (distance) P-C4' energy: -39.391
flat angles C4'-P-C4' energy: -35.575
flat angles P-C4'-P energy: -28.384
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: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -564.147576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.147576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.147576 (E_RNA)
where:
Base-Base interactions energy: -386.336
where: short stacking energy: -159.965
Base-Backbone interact. energy: -0.174
local terms energy: -177.637887
where:
bonds (distance) C4'-P energy: -29.124
bonds (distance) P-C4' energy: -37.704
flat angles C4'-P-C4' energy: -42.040
flat angles P-C4'-P energy: -26.635
tors. eta vs tors. theta energy: -42.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -494.729097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.729097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.729097 (E_RNA)
where:
Base-Base interactions energy: -315.588
where: short stacking energy: -130.531
Base-Backbone interact. energy: -0.434
local terms energy: -178.706914
where:
bonds (distance) C4'-P energy: -41.857
bonds (distance) P-C4' energy: -41.101
flat angles C4'-P-C4' energy: -39.632
flat angles P-C4'-P energy: -20.687
tors. eta vs tors. theta energy: -35.429
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: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -510.865051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.865051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.865051 (E_RNA)
where:
Base-Base interactions energy: -341.575
where: short stacking energy: -155.102
Base-Backbone interact. energy: 0.390
local terms energy: -169.680891
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -28.235
flat angles P-C4'-P energy: -24.838
tors. eta vs tors. theta energy: -43.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -462.895724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.895724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.895724 (E_RNA)
where:
Base-Base interactions energy: -292.191
where: short stacking energy: -138.552
Base-Backbone interact. energy: -0.551
local terms energy: -170.153002
where:
bonds (distance) C4'-P energy: -39.231
bonds (distance) P-C4' energy: -33.379
flat angles C4'-P-C4' energy: -36.443
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -41.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -356.185903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.185903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.185903 (E_RNA)
where:
Base-Base interactions energy: -218.791
where: short stacking energy: -117.281
Base-Backbone interact. energy: -0.253
local terms energy: -137.142273
where:
bonds (distance) C4'-P energy: -32.375
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -22.468
tors. eta vs tors. theta energy: -23.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -304.381112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.381112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.381112 (E_RNA)
where:
Base-Base interactions energy: -167.814
where: short stacking energy: -87.215
Base-Backbone interact. energy: 0.340
local terms energy: -136.906737
where:
bonds (distance) C4'-P energy: -34.399
bonds (distance) P-C4' energy: -31.189
flat angles C4'-P-C4' energy: -34.097
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -17.239
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: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -189.318573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.318573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.318573 (E_RNA)
where:
Base-Base interactions energy: -75.962
where: short stacking energy: -57.632
Base-Backbone interact. energy: -0.613
local terms energy: -112.742990
where:
bonds (distance) C4'-P energy: -32.633
bonds (distance) P-C4' energy: -32.573
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -186.862522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.862522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.862522 (E_RNA)
where:
Base-Base interactions energy: -65.253
where: short stacking energy: -62.069
Base-Backbone interact. energy: -1.539
local terms energy: -120.070667
where:
bonds (distance) C4'-P energy: -31.550
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -27.040
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -6.196
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: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -633.208073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.208073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.208073 (E_RNA)
where:
Base-Base interactions energy: -445.463
where: short stacking energy: -183.296
Base-Backbone interact. energy: 0.061
local terms energy: -187.805525
where:
bonds (distance) C4'-P energy: -27.748
bonds (distance) P-C4' energy: -36.888
flat angles C4'-P-C4' energy: -40.139
flat angles P-C4'-P energy: -28.482
tors. eta vs tors. theta energy: -54.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -584.899638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.899638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.899638 (E_RNA)
where:
Base-Base interactions energy: -400.846
where: short stacking energy: -164.176
Base-Backbone interact. energy: 0.575
local terms energy: -184.628853
where:
bonds (distance) C4'-P energy: -39.862
bonds (distance) P-C4' energy: -41.355
flat angles C4'-P-C4' energy: -41.144
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: -38.115
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: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -507.200953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.200953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.200953 (E_RNA)
where:
Base-Base interactions energy: -334.881
where: short stacking energy: -136.120
Base-Backbone interact. energy: -0.126
local terms energy: -172.194122
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -37.397
flat angles C4'-P-C4' energy: -40.648
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -31.913
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: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -549.585426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.585426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.585426 (E_RNA)
where:
Base-Base interactions energy: -373.161
where: short stacking energy: -158.941
Base-Backbone interact. energy: 0.108
local terms energy: -176.532449
where:
bonds (distance) C4'-P energy: -40.676
bonds (distance) P-C4' energy: -33.729
flat angles C4'-P-C4' energy: -37.203
flat angles P-C4'-P energy: -29.081
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: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -513.016216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.016216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.016216 (E_RNA)
where:
Base-Base interactions energy: -325.600
where: short stacking energy: -161.470
Base-Backbone interact. energy: -0.504
local terms energy: -186.913081
where:
bonds (distance) C4'-P energy: -42.524
bonds (distance) P-C4' energy: -38.136
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -21.185
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: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -471.797966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.797966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.797966 (E_RNA)
where:
Base-Base interactions energy: -315.250
where: short stacking energy: -142.657
Base-Backbone interact. energy: 0.534
local terms energy: -157.082388
where:
bonds (distance) C4'-P energy: -30.783
bonds (distance) P-C4' energy: -36.215
flat angles C4'-P-C4' energy: -42.855
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -26.197
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: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -278.448082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.448082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.448082 (E_RNA)
where:
Base-Base interactions energy: -142.228
where: short stacking energy: -80.975
Base-Backbone interact. energy: -0.446
local terms energy: -135.774892
where:
bonds (distance) C4'-P energy: -35.234
bonds (distance) P-C4' energy: -41.227
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -335.676840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.676840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.676840 (E_RNA)
where:
Base-Base interactions energy: -192.277
where: short stacking energy: -81.073
Base-Backbone interact. energy: -0.411
local terms energy: -142.988639
where:
bonds (distance) C4'-P energy: -35.134
bonds (distance) P-C4' energy: -41.104
flat angles C4'-P-C4' energy: -33.686
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -12.487
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: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -185.705053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.705053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.705053 (E_RNA)
where:
Base-Base interactions energy: -70.089
where: short stacking energy: -65.833
Base-Backbone interact. energy: -0.328
local terms energy: -115.288521
where:
bonds (distance) C4'-P energy: -27.787
bonds (distance) P-C4' energy: -42.038
flat angles C4'-P-C4' energy: -25.790
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -0.958
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: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -174.777373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.777373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.777373 (E_RNA)
where:
Base-Base interactions energy: -65.750
where: short stacking energy: -36.905
Base-Backbone interact. energy: 4.298
local terms energy: -113.325023
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -31.655
flat angles C4'-P-C4' energy: -34.381
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: 0.676
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: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -634.613131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.613131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.613131 (E_RNA)
where:
Base-Base interactions energy: -439.305
where: short stacking energy: -169.728
Base-Backbone interact. energy: -2.336
local terms energy: -192.971604
where:
bonds (distance) C4'-P energy: -37.592
bonds (distance) P-C4' energy: -42.938
flat angles C4'-P-C4' energy: -39.817
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -50.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -554.242992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.242992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.242992 (E_RNA)
where:
Base-Base interactions energy: -364.559
where: short stacking energy: -156.912
Base-Backbone interact. energy: -1.037
local terms energy: -188.647294
where:
bonds (distance) C4'-P energy: -39.908
bonds (distance) P-C4' energy: -41.147
flat angles C4'-P-C4' energy: -38.672
flat angles P-C4'-P energy: -27.750
tors. eta vs tors. theta energy: -41.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -513.960415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.960415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.960415 (E_RNA)
where:
Base-Base interactions energy: -344.711
where: short stacking energy: -150.931
Base-Backbone interact. energy: -1.346
local terms energy: -167.904134
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -39.371
flat angles C4'-P-C4' energy: -39.096
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -38.975
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: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -533.774664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.774664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.774664 (E_RNA)
where:
Base-Base interactions energy: -352.528
where: short stacking energy: -146.609
Base-Backbone interact. energy: 0.442
local terms energy: -181.687945
where:
bonds (distance) C4'-P energy: -41.858
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -41.862
flat angles P-C4'-P energy: -26.955
tors. eta vs tors. theta energy: -35.507
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: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -509.286148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.286148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.286148 (E_RNA)
where:
Base-Base interactions energy: -340.144
where: short stacking energy: -143.439
Base-Backbone interact. energy: -0.154
local terms energy: -168.987826
where:
bonds (distance) C4'-P energy: -41.460
bonds (distance) P-C4' energy: -28.047
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -22.118
tors. eta vs tors. theta energy: -40.740
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: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -447.214575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.214575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.214575 (E_RNA)
where:
Base-Base interactions energy: -296.871
where: short stacking energy: -125.681
Base-Backbone interact. energy: -0.892
local terms energy: -149.451768
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -34.242
flat angles C4'-P-C4' energy: -40.480
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: -25.187
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: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -286.616449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.616449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.616449 (E_RNA)
where:
Base-Base interactions energy: -147.257
where: short stacking energy: -87.112
Base-Backbone interact. energy: 1.435
local terms energy: -140.794328
where:
bonds (distance) C4'-P energy: -34.878
bonds (distance) P-C4' energy: -36.288
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -25.766
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -359.285061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.285061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.285061 (E_RNA)
where:
Base-Base interactions energy: -212.439
where: short stacking energy: -109.072
Base-Backbone interact. energy: -1.347
local terms energy: -145.498344
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -36.223
flat angles C4'-P-C4' energy: -37.543
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -23.288
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: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -181.812607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.812607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.812607 (E_RNA)
where:
Base-Base interactions energy: -80.480
where: short stacking energy: -67.272
Base-Backbone interact. energy: -0.221
local terms energy: -101.111894
where:
bonds (distance) C4'-P energy: -26.691
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -30.610
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -7.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -191.478161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.478161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.478161 (E_RNA)
where:
Base-Base interactions energy: -85.101
where: short stacking energy: -59.263
Base-Backbone interact. energy: -0.706
local terms energy: -105.671336
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -34.057
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -641.394853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.394853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.394853 (E_RNA)
where:
Base-Base interactions energy: -441.432
where: short stacking energy: -175.375
Base-Backbone interact. energy: -1.774
local terms energy: -198.189022
where:
bonds (distance) C4'-P energy: -40.457
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -39.941
flat angles P-C4'-P energy: -31.897
tors. eta vs tors. theta energy: -50.561
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: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -552.035862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.035862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.035862 (E_RNA)
where:
Base-Base interactions energy: -368.276
where: short stacking energy: -172.745
Base-Backbone interact. energy: -0.117
local terms energy: -183.642632
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -37.728
flat angles C4'-P-C4' energy: -36.697
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -48.381
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: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -553.520502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.520502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.520502 (E_RNA)
where:
Base-Base interactions energy: -373.632
where: short stacking energy: -168.712
Base-Backbone interact. energy: -0.141
local terms energy: -179.746960
where:
bonds (distance) C4'-P energy: -38.381
bonds (distance) P-C4' energy: -40.480
flat angles C4'-P-C4' energy: -37.925
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -41.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -497.926712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.926712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.926712 (E_RNA)
where:
Base-Base interactions energy: -327.216
where: short stacking energy: -145.041
Base-Backbone interact. energy: -1.712
local terms energy: -168.998622
where:
bonds (distance) C4'-P energy: -34.609
bonds (distance) P-C4' energy: -27.872
flat angles C4'-P-C4' energy: -40.549
flat angles P-C4'-P energy: -28.668
tors. eta vs tors. theta energy: -37.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -521.956644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.956644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.956644 (E_RNA)
where:
Base-Base interactions energy: -349.101
where: short stacking energy: -156.774
Base-Backbone interact. energy: 1.010
local terms energy: -173.865659
where:
bonds (distance) C4'-P energy: -39.436
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -36.191
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: -35.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -500.277890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.277890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.277890 (E_RNA)
where:
Base-Base interactions energy: -336.412
where: short stacking energy: -146.899
Base-Backbone interact. energy: -0.714
local terms energy: -163.151680
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -43.190
flat angles P-C4'-P energy: -28.796
tors. eta vs tors. theta energy: -34.116
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: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -349.272483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.272483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.272483 (E_RNA)
where:
Base-Base interactions energy: -214.689
where: short stacking energy: -94.062
Base-Backbone interact. energy: -1.161
local terms energy: -133.422305
where:
bonds (distance) C4'-P energy: -28.803
bonds (distance) P-C4' energy: -40.707
flat angles C4'-P-C4' energy: -31.646
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -14.679
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: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -307.717850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.717850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.717850 (E_RNA)
where:
Base-Base interactions energy: -154.801
where: short stacking energy: -97.904
Base-Backbone interact. energy: -0.245
local terms energy: -152.671670
where:
bonds (distance) C4'-P energy: -39.816
bonds (distance) P-C4' energy: -35.591
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: -26.759
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: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -175.934451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.934451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.934451 (E_RNA)
where:
Base-Base interactions energy: -49.284
where: short stacking energy: -44.647
Base-Backbone interact. energy: -0.659
local terms energy: -125.992248
where:
bonds (distance) C4'-P energy: -35.479
bonds (distance) P-C4' energy: -32.438
flat angles C4'-P-C4' energy: -35.452
flat angles P-C4'-P energy: -23.566
tors. eta vs tors. theta energy: 0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -164.644401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.644401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.644401 (E_RNA)
where:
Base-Base interactions energy: -58.628
where: short stacking energy: -50.928
Base-Backbone interact. energy: 0.719
local terms energy: -106.734625
where:
bonds (distance) C4'-P energy: -33.342
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -28.016
flat angles P-C4'-P energy: -22.118
tors. eta vs tors. theta energy: 1.742
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: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -637.918448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.918448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.918448 (E_RNA)
where:
Base-Base interactions energy: -429.821
where: short stacking energy: -189.188
Base-Backbone interact. energy: -1.197
local terms energy: -206.900413
where:
bonds (distance) C4'-P energy: -35.397
bonds (distance) P-C4' energy: -34.967
flat angles C4'-P-C4' energy: -43.420
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -57.761
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: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -607.083735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.083735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.083735 (E_RNA)
where:
Base-Base interactions energy: -395.977
where: short stacking energy: -192.304
Base-Backbone interact. energy: -0.766
local terms energy: -210.340927
where:
bonds (distance) C4'-P energy: -39.586
bonds (distance) P-C4' energy: -40.110
flat angles C4'-P-C4' energy: -41.511
flat angles P-C4'-P energy: -31.600
tors. eta vs tors. theta energy: -57.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -532.545959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.545959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.545959 (E_RNA)
where:
Base-Base interactions energy: -343.165
where: short stacking energy: -155.105
Base-Backbone interact. energy: -1.155
local terms energy: -188.225531
where:
bonds (distance) C4'-P energy: -42.028
bonds (distance) P-C4' energy: -37.167
flat angles C4'-P-C4' energy: -38.410
flat angles P-C4'-P energy: -29.322
tors. eta vs tors. theta energy: -41.299
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: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -523.378581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.378581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.378581 (E_RNA)
where:
Base-Base interactions energy: -345.690
where: short stacking energy: -163.712
Base-Backbone interact. energy: -1.178
local terms energy: -176.510930
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -43.572
flat angles P-C4'-P energy: -21.478
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: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -484.247578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.247578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.247578 (E_RNA)
where:
Base-Base interactions energy: -292.822
where: short stacking energy: -135.264
Base-Backbone interact. energy: -0.228
local terms energy: -191.197682
where:
bonds (distance) C4'-P energy: -43.041
bonds (distance) P-C4' energy: -37.654
flat angles C4'-P-C4' energy: -42.672
flat angles P-C4'-P energy: -27.444
tors. eta vs tors. theta energy: -40.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -425.674812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.674812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.674812 (E_RNA)
where:
Base-Base interactions energy: -256.886
where: short stacking energy: -108.526
Base-Backbone interact. energy: -0.277
local terms energy: -168.512086
where:
bonds (distance) C4'-P energy: -35.694
bonds (distance) P-C4' energy: -43.116
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -29.248
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: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -364.220346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.220346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.220346 (E_RNA)
where:
Base-Base interactions energy: -226.746
where: short stacking energy: -110.294
Base-Backbone interact. energy: 0.677
local terms energy: -138.150834
where:
bonds (distance) C4'-P energy: -33.405
bonds (distance) P-C4' energy: -37.779
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -283.936042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.936042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.936042 (E_RNA)
where:
Base-Base interactions energy: -147.657
where: short stacking energy: -82.402
Base-Backbone interact. energy: 2.012
local terms energy: -138.291397
where:
bonds (distance) C4'-P energy: -33.345
bonds (distance) P-C4' energy: -37.667
flat angles C4'-P-C4' energy: -41.514
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -178.320274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.320274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.320274 (E_RNA)
where:
Base-Base interactions energy: -61.543
where: short stacking energy: -52.569
Base-Backbone interact. energy: -0.258
local terms energy: -116.519218
where:
bonds (distance) C4'-P energy: -35.035
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -16.225
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: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -168.540858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.540858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.540858 (E_RNA)
where:
Base-Base interactions energy: -71.939
where: short stacking energy: -49.783
Base-Backbone interact. energy: -1.040
local terms energy: -95.561913
where:
bonds (distance) C4'-P energy: -37.894
bonds (distance) P-C4' energy: -31.894
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: 4.347
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: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -656.082811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.082811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.082811 (E_RNA)
where:
Base-Base interactions energy: -455.937
where: short stacking energy: -191.028
Base-Backbone interact. energy: 3.358
local terms energy: -203.503515
where:
bonds (distance) C4'-P energy: -37.108
bonds (distance) P-C4' energy: -42.775
flat angles C4'-P-C4' energy: -39.963
flat angles P-C4'-P energy: -30.112
tors. eta vs tors. theta energy: -53.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -606.580887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.580887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.580887 (E_RNA)
where:
Base-Base interactions energy: -396.112
where: short stacking energy: -182.608
Base-Backbone interact. energy: -0.547
local terms energy: -209.921217
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -39.877
flat angles C4'-P-C4' energy: -48.360
flat angles P-C4'-P energy: -29.386
tors. eta vs tors. theta energy: -52.788
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: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -552.151661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.151661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.151661 (E_RNA)
where:
Base-Base interactions energy: -368.774
where: short stacking energy: -163.573
Base-Backbone interact. energy: -0.208
local terms energy: -183.169350
where:
bonds (distance) C4'-P energy: -34.022
bonds (distance) P-C4' energy: -40.164
flat angles C4'-P-C4' energy: -32.527
flat angles P-C4'-P energy: -29.993
tors. eta vs tors. theta energy: -46.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -548.295258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.295258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.295258 (E_RNA)
where:
Base-Base interactions energy: -363.752
where: short stacking energy: -164.226
Base-Backbone interact. energy: -0.303
local terms energy: -184.240147
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -45.615
flat angles P-C4'-P energy: -29.169
tors. eta vs tors. theta energy: -48.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -480.336285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.336285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.336285 (E_RNA)
where:
Base-Base interactions energy: -322.619
where: short stacking energy: -144.048
Base-Backbone interact. energy: 0.134
local terms energy: -157.851635
where:
bonds (distance) C4'-P energy: -29.672
bonds (distance) P-C4' energy: -35.493
flat angles C4'-P-C4' energy: -31.110
flat angles P-C4'-P energy: -26.264
tors. eta vs tors. theta energy: -35.313
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: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -387.369870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.369870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.369870 (E_RNA)
where:
Base-Base interactions energy: -253.130
where: short stacking energy: -102.171
Base-Backbone interact. energy: -0.481
local terms energy: -133.759361
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -28.938
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -299.857275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.857275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.857275 (E_RNA)
where:
Base-Base interactions energy: -155.199
where: short stacking energy: -91.245
Base-Backbone interact. energy: 0.766
local terms energy: -145.424335
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -30.911
flat angles C4'-P-C4' energy: -41.229
flat angles P-C4'-P energy: -26.657
tors. eta vs tors. theta energy: -14.266
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: 48
Temperature: 1.250000
Total energy: -337.444817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.444817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.444817 (E_RNA)
where:
Base-Base interactions energy: -214.561
where: short stacking energy: -99.854
Base-Backbone interact. energy: 0.144
local terms energy: -123.028269
where:
bonds (distance) C4'-P energy: -32.603
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -16.728
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: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -184.656914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.656914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.656914 (E_RNA)
where:
Base-Base interactions energy: -81.163
where: short stacking energy: -64.670
Base-Backbone interact. energy: -0.781
local terms energy: -102.713428
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -31.202
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -172.898222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.898222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.898222 (E_RNA)
where:
Base-Base interactions energy: -65.380
where: short stacking energy: -49.666
Base-Backbone interact. energy: 0.673
local terms energy: -108.191707
where:
bonds (distance) C4'-P energy: -30.899
bonds (distance) P-C4' energy: -45.624
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: 2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -639.330182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.330182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.330182 (E_RNA)
where:
Base-Base interactions energy: -423.484
where: short stacking energy: -183.153
Base-Backbone interact. energy: -3.579
local terms energy: -212.266744
where:
bonds (distance) C4'-P energy: -38.990
bonds (distance) P-C4' energy: -45.682
flat angles C4'-P-C4' energy: -44.781
flat angles P-C4'-P energy: -29.049
tors. eta vs tors. theta energy: -53.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -635.278594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.278594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.278594 (E_RNA)
where:
Base-Base interactions energy: -434.909
where: short stacking energy: -198.758
Base-Backbone interact. energy: -1.248
local terms energy: -199.122385
where:
bonds (distance) C4'-P energy: -40.065
bonds (distance) P-C4' energy: -38.980
flat angles C4'-P-C4' energy: -42.111
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -56.266
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: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -541.242940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.242940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.242940 (E_RNA)
where:
Base-Base interactions energy: -363.725
where: short stacking energy: -155.151
Base-Backbone interact. energy: 1.883
local terms energy: -179.401459
where:
bonds (distance) C4'-P energy: -38.359
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -43.799
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: 49
Temperature: 1.050000
Total energy: -559.312664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.312664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.312664 (E_RNA)
where:
Base-Base interactions energy: -355.940
where: short stacking energy: -172.500
Base-Backbone interact. energy: -1.619
local terms energy: -201.753162
where:
bonds (distance) C4'-P energy: -27.566
bonds (distance) P-C4' energy: -47.048
flat angles C4'-P-C4' energy: -45.017
flat angles P-C4'-P energy: -27.288
tors. eta vs tors. theta energy: -54.834
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: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -479.507026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.507026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.507026 (E_RNA)
where:
Base-Base interactions energy: -311.917
where: short stacking energy: -135.135
Base-Backbone interact. energy: -1.319
local terms energy: -166.271159
where:
bonds (distance) C4'-P energy: -34.741
bonds (distance) P-C4' energy: -44.918
flat angles C4'-P-C4' energy: -31.246
flat angles P-C4'-P energy: -24.886
tors. eta vs tors. theta energy: -30.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -405.740366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.740366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.740366 (E_RNA)
where:
Base-Base interactions energy: -255.748
where: short stacking energy: -102.593
Base-Backbone interact. energy: 3.650
local terms energy: -153.642765
where:
bonds (distance) C4'-P energy: -36.688
bonds (distance) P-C4' energy: -41.413
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -26.089
tors. eta vs tors. theta energy: -18.593
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: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -289.273634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.273634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.273634 (E_RNA)
where:
Base-Base interactions energy: -148.833
where: short stacking energy: -94.408
Base-Backbone interact. energy: -0.094
local terms energy: -140.346392
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -39.243
flat angles C4'-P-C4' energy: -32.616
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -18.808
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: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -326.011624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.011624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.011624 (E_RNA)
where:
Base-Base interactions energy: -201.991
where: short stacking energy: -90.966
Base-Backbone interact. energy: 0.139
local terms energy: -124.159446
where:
bonds (distance) C4'-P energy: -30.570
bonds (distance) P-C4' energy: -33.689
flat angles C4'-P-C4' energy: -35.157
flat angles P-C4'-P energy: -18.879
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: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -181.271236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.271236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.271236 (E_RNA)
where:
Base-Base interactions energy: -71.416
where: short stacking energy: -55.399
Base-Backbone interact. energy: 0.267
local terms energy: -110.121940
where:
bonds (distance) C4'-P energy: -32.613
bonds (distance) P-C4' energy: -40.074
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: 5.619
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: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -159.859806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.859806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.859806 (E_RNA)
where:
Base-Base interactions energy: -61.138
where: short stacking energy: -57.745
Base-Backbone interact. energy: -0.012
local terms energy: -98.709898
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: 7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -647.482939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.482939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.482939 (E_RNA)
where:
Base-Base interactions energy: -438.876
where: short stacking energy: -206.194
Base-Backbone interact. energy: -0.187
local terms energy: -208.419241
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -41.850
flat angles C4'-P-C4' energy: -47.265
flat angles P-C4'-P energy: -28.746
tors. eta vs tors. theta energy: -56.156
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: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -628.010922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.010922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.010922 (E_RNA)
where:
Base-Base interactions energy: -424.021
where: short stacking energy: -177.226
Base-Backbone interact. energy: -1.849
local terms energy: -202.140547
where:
bonds (distance) C4'-P energy: -41.675
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -40.622
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -47.788
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: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -540.124543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.124543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.124543 (E_RNA)
where:
Base-Base interactions energy: -365.183
where: short stacking energy: -152.149
Base-Backbone interact. energy: -1.638
local terms energy: -173.303238
where:
bonds (distance) C4'-P energy: -39.217
bonds (distance) P-C4' energy: -32.507
flat angles C4'-P-C4' energy: -38.058
flat angles P-C4'-P energy: -27.731
tors. eta vs tors. theta energy: -35.791
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: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -544.072304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.072304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.072304 (E_RNA)
where:
Base-Base interactions energy: -355.930
where: short stacking energy: -162.896
Base-Backbone interact. energy: 0.757
local terms energy: -188.899634
where:
bonds (distance) C4'-P energy: -33.322
bonds (distance) P-C4' energy: -39.352
flat angles C4'-P-C4' energy: -39.918
flat angles P-C4'-P energy: -27.597
tors. eta vs tors. theta energy: -48.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -441.779984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.779984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.779984 (E_RNA)
where:
Base-Base interactions energy: -291.452
where: short stacking energy: -125.337
Base-Backbone interact. energy: -1.617
local terms energy: -148.710370
where:
bonds (distance) C4'-P energy: -45.066
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -421.531266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.531266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.531266 (E_RNA)
where:
Base-Base interactions energy: -270.299
where: short stacking energy: -100.925
Base-Backbone interact. energy: 1.023
local terms energy: -152.255659
where:
bonds (distance) C4'-P energy: -43.184
bonds (distance) P-C4' energy: -38.518
flat angles C4'-P-C4' energy: -34.366
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -16.616
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: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -335.659121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.659121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.659121 (E_RNA)
where:
Base-Base interactions energy: -201.171
where: short stacking energy: -98.755
Base-Backbone interact. energy: 0.489
local terms energy: -134.977809
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -30.215
flat angles C4'-P-C4' energy: -35.202
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -14.783
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: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -278.267269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.267269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.267269 (E_RNA)
where:
Base-Base interactions energy: -145.177
where: short stacking energy: -75.649
Base-Backbone interact. energy: 0.816
local terms energy: -133.906159
where:
bonds (distance) C4'-P energy: -40.565
bonds (distance) P-C4' energy: -39.044
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -6.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -174.085611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.085611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.085611 (E_RNA)
where:
Base-Base interactions energy: -55.311
where: short stacking energy: -38.519
Base-Backbone interact. energy: -1.226
local terms energy: -117.548874
where:
bonds (distance) C4'-P energy: -39.767
bonds (distance) P-C4' energy: -32.164
flat angles C4'-P-C4' energy: -32.973
flat angles P-C4'-P energy: -24.598
tors. eta vs tors. theta energy: 11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -184.155774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.155774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.155774 (E_RNA)
where:
Base-Base interactions energy: -69.445
where: short stacking energy: -45.411
Base-Backbone interact. energy: -0.021
local terms energy: -114.690335
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -38.684
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -635.841568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.841568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.841568 (E_RNA)
where:
Base-Base interactions energy: -427.877
where: short stacking energy: -191.498
Base-Backbone interact. energy: -0.979
local terms energy: -206.985891
where:
bonds (distance) C4'-P energy: -38.682
bonds (distance) P-C4' energy: -42.182
flat angles C4'-P-C4' energy: -48.210
flat angles P-C4'-P energy: -25.134
tors. eta vs tors. theta energy: -52.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -628.040492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.040492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.040492 (E_RNA)
where:
Base-Base interactions energy: -428.584
where: short stacking energy: -181.868
Base-Backbone interact. energy: -1.872
local terms energy: -197.583745
where:
bonds (distance) C4'-P energy: -37.371
bonds (distance) P-C4' energy: -42.116
flat angles C4'-P-C4' energy: -39.982
flat angles P-C4'-P energy: -26.175
tors. eta vs tors. theta energy: -51.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -540.585581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.585581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.585581 (E_RNA)
where:
Base-Base interactions energy: -356.213
where: short stacking energy: -148.182
Base-Backbone interact. energy: 1.907
local terms energy: -186.279254
where:
bonds (distance) C4'-P energy: -38.132
bonds (distance) P-C4' energy: -34.061
flat angles C4'-P-C4' energy: -41.667
flat angles P-C4'-P energy: -30.312
tors. eta vs tors. theta energy: -42.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -539.643648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.643648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.643648 (E_RNA)
where:
Base-Base interactions energy: -346.581
where: short stacking energy: -166.792
Base-Backbone interact. energy: -1.014
local terms energy: -192.048245
where:
bonds (distance) C4'-P energy: -36.363
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -38.708
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -46.135
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: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -412.419480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.419480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.419480 (E_RNA)
where:
Base-Base interactions energy: -237.639
where: short stacking energy: -117.157
Base-Backbone interact. energy: 0.506
local terms energy: -175.286874
where:
bonds (distance) C4'-P energy: -44.566
bonds (distance) P-C4' energy: -38.432
flat angles C4'-P-C4' energy: -38.522
flat angles P-C4'-P energy: -25.370
tors. eta vs tors. theta energy: -28.396
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: 51
Temperature: 1.150000
Total energy: -375.492923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.492923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.492923 (E_RNA)
where:
Base-Base interactions energy: -215.439
where: short stacking energy: -108.500
Base-Backbone interact. energy: -0.713
local terms energy: -159.341631
where:
bonds (distance) C4'-P energy: -40.863
bonds (distance) P-C4' energy: -32.589
flat angles C4'-P-C4' energy: -41.444
flat angles P-C4'-P energy: -23.616
tors. eta vs tors. theta energy: -20.830
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: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -417.069844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.069844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.069844 (E_RNA)
where:
Base-Base interactions energy: -271.159
where: short stacking energy: -113.395
Base-Backbone interact. energy: 1.658
local terms energy: -147.569231
where:
bonds (distance) C4'-P energy: -31.251
bonds (distance) P-C4' energy: -40.815
flat angles C4'-P-C4' energy: -38.264
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -321.226732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.226732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.226732 (E_RNA)
where:
Base-Base interactions energy: -174.551
where: short stacking energy: -93.819
Base-Backbone interact. energy: -0.419
local terms energy: -146.256594
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -44.852
flat angles C4'-P-C4' energy: -31.183
flat angles P-C4'-P energy: -23.316
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -213.869010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.869010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.869010 (E_RNA)
where:
Base-Base interactions energy: -106.745
where: short stacking energy: -68.212
Base-Backbone interact. energy: -0.675
local terms energy: -106.449092
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -36.962
flat angles C4'-P-C4' energy: -29.232
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -5.916
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: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -173.641872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.641872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.641872 (E_RNA)
where:
Base-Base interactions energy: -60.602
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.406
local terms energy: -112.633877
where:
bonds (distance) C4'-P energy: -30.260
bonds (distance) P-C4' energy: -42.357
flat angles C4'-P-C4' energy: -28.175
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: 3.642
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: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -639.159327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.159327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.159327 (E_RNA)
where:
Base-Base interactions energy: -433.067
where: short stacking energy: -198.205
Base-Backbone interact. energy: -1.659
local terms energy: -204.433463
where:
bonds (distance) C4'-P energy: -43.115
bonds (distance) P-C4' energy: -36.175
flat angles C4'-P-C4' energy: -46.428
flat angles P-C4'-P energy: -25.478
tors. eta vs tors. theta energy: -53.238
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: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -626.912095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.912095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.912095 (E_RNA)
where:
Base-Base interactions energy: -434.505
where: short stacking energy: -189.884
Base-Backbone interact. energy: -1.611
local terms energy: -190.795993
where:
bonds (distance) C4'-P energy: -36.945
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -45.542
flat angles P-C4'-P energy: -28.773
tors. eta vs tors. theta energy: -54.666
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: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -542.665253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.665253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.665253 (E_RNA)
where:
Base-Base interactions energy: -344.476
where: short stacking energy: -165.707
Base-Backbone interact. energy: -0.568
local terms energy: -197.621931
where:
bonds (distance) C4'-P energy: -38.081
bonds (distance) P-C4' energy: -41.405
flat angles C4'-P-C4' energy: -39.405
flat angles P-C4'-P energy: -29.973
tors. eta vs tors. theta energy: -48.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -537.522502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.522502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.522502 (E_RNA)
where:
Base-Base interactions energy: -351.794
where: short stacking energy: -145.508
Base-Backbone interact. energy: -0.328
local terms energy: -185.400385
where:
bonds (distance) C4'-P energy: -41.038
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -39.748
flat angles P-C4'-P energy: -27.219
tors. eta vs tors. theta energy: -41.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -423.604123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.604123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.604123 (E_RNA)
where:
Base-Base interactions energy: -256.952
where: short stacking energy: -124.687
Base-Backbone interact. energy: -0.825
local terms energy: -165.826606
where:
bonds (distance) C4'-P energy: -33.431
bonds (distance) P-C4' energy: -35.407
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -25.685
tors. eta vs tors. theta energy: -32.186
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: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -385.335031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.335031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.335031 (E_RNA)
where:
Base-Base interactions energy: -223.310
where: short stacking energy: -112.695
Base-Backbone interact. energy: -0.345
local terms energy: -161.680495
where:
bonds (distance) C4'-P energy: -44.561
bonds (distance) P-C4' energy: -37.668
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -24.908
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: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -416.281493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.281493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.281493 (E_RNA)
where:
Base-Base interactions energy: -268.687
where: short stacking energy: -113.009
Base-Backbone interact. energy: -0.512
local terms energy: -147.082948
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -37.910
flat angles C4'-P-C4' energy: -34.072
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -271.537227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.537227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.537227 (E_RNA)
where:
Base-Base interactions energy: -149.908
where: short stacking energy: -90.249
Base-Backbone interact. energy: -0.641
local terms energy: -120.987573
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -33.385
flat angles C4'-P-C4' energy: -33.977
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -11.981
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: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -208.156219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.156219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.156219 (E_RNA)
where:
Base-Base interactions energy: -97.696
where: short stacking energy: -52.733
Base-Backbone interact. energy: -3.249
local terms energy: -107.211260
where:
bonds (distance) C4'-P energy: -28.995
bonds (distance) P-C4' energy: -35.240
flat angles C4'-P-C4' energy: -33.036
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: 8.025
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: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -183.241209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.241209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.241209 (E_RNA)
where:
Base-Base interactions energy: -74.235
where: short stacking energy: -60.669
Base-Backbone interact. energy: -1.131
local terms energy: -107.874900
where:
bonds (distance) C4'-P energy: -33.135
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -31.811
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -640.119415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.119415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.119415 (E_RNA)
where:
Base-Base interactions energy: -445.562
where: short stacking energy: -196.434
Base-Backbone interact. energy: -0.165
local terms energy: -194.393236
where:
bonds (distance) C4'-P energy: -33.292
bonds (distance) P-C4' energy: -37.778
flat angles C4'-P-C4' energy: -43.150
flat angles P-C4'-P energy: -27.005
tors. eta vs tors. theta energy: -53.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -619.056249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.056249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.056249 (E_RNA)
where:
Base-Base interactions energy: -427.257
where: short stacking energy: -187.290
Base-Backbone interact. energy: -1.360
local terms energy: -190.439178
where:
bonds (distance) C4'-P energy: -33.974
bonds (distance) P-C4' energy: -36.099
flat angles C4'-P-C4' energy: -41.237
flat angles P-C4'-P energy: -26.138
tors. eta vs tors. theta energy: -52.992
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: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -561.380585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.380585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.380585 (E_RNA)
where:
Base-Base interactions energy: -365.475
where: short stacking energy: -181.002
Base-Backbone interact. energy: -1.940
local terms energy: -193.965896
where:
bonds (distance) C4'-P energy: -33.783
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -41.015
flat angles P-C4'-P energy: -29.826
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: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -552.360915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.360915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.360915 (E_RNA)
where:
Base-Base interactions energy: -368.279
where: short stacking energy: -176.136
Base-Backbone interact. energy: -1.922
local terms energy: -182.159982
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -30.369
flat angles C4'-P-C4' energy: -43.450
flat angles P-C4'-P energy: -29.517
tors. eta vs tors. theta energy: -43.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -408.091595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.091595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.091595 (E_RNA)
where:
Base-Base interactions energy: -241.295
where: short stacking energy: -119.849
Base-Backbone interact. energy: -0.281
local terms energy: -166.515927
where:
bonds (distance) C4'-P energy: -30.362
bonds (distance) P-C4' energy: -40.174
flat angles C4'-P-C4' energy: -40.021
flat angles P-C4'-P energy: -27.111
tors. eta vs tors. theta energy: -28.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -382.740663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.740663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.740663 (E_RNA)
where:
Base-Base interactions energy: -229.546
where: short stacking energy: -122.337
Base-Backbone interact. energy: -0.626
local terms energy: -152.569158
where:
bonds (distance) C4'-P energy: -34.348
bonds (distance) P-C4' energy: -30.828
flat angles C4'-P-C4' energy: -31.959
flat angles P-C4'-P energy: -25.733
tors. eta vs tors. theta energy: -29.701
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: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -379.382295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.382295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.382295 (E_RNA)
where:
Base-Base interactions energy: -243.525
where: short stacking energy: -116.144
Base-Backbone interact. energy: -0.419
local terms energy: -135.439027
where:
bonds (distance) C4'-P energy: -31.787
bonds (distance) P-C4' energy: -34.467
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -23.119
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -267.665434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.665434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.665434 (E_RNA)
where:
Base-Base interactions energy: -143.833
where: short stacking energy: -91.529
Base-Backbone interact. energy: -0.338
local terms energy: -123.494310
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -34.206
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -23.018
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: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -177.239141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.239141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.239141 (E_RNA)
where:
Base-Base interactions energy: -63.683
where: short stacking energy: -49.374
Base-Backbone interact. energy: 0.158
local terms energy: -113.714121
where:
bonds (distance) C4'-P energy: -38.997
bonds (distance) P-C4' energy: -33.145
flat angles C4'-P-C4' energy: -32.573
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: 4.419
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: 53
Temperature: 1.350000
Total energy: -170.457426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.457426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.457426 (E_RNA)
where:
Base-Base interactions energy: -63.450
where: short stacking energy: -56.840
Base-Backbone interact. energy: -1.145
local terms energy: -105.862568
where:
bonds (distance) C4'-P energy: -34.383
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -23.133
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: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -626.109925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.109925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.109925 (E_RNA)
where:
Base-Base interactions energy: -431.693
where: short stacking energy: -176.098
Base-Backbone interact. energy: -0.268
local terms energy: -194.148910
where:
bonds (distance) C4'-P energy: -34.237
bonds (distance) P-C4' energy: -36.563
flat angles C4'-P-C4' energy: -43.138
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -54.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -630.826039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.826039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.826039 (E_RNA)
where:
Base-Base interactions energy: -428.979
where: short stacking energy: -196.376
Base-Backbone interact. energy: -1.089
local terms energy: -200.758149
where:
bonds (distance) C4'-P energy: -37.233
bonds (distance) P-C4' energy: -40.776
flat angles C4'-P-C4' energy: -43.133
flat angles P-C4'-P energy: -28.847
tors. eta vs tors. theta energy: -50.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -571.843797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.843797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.843797 (E_RNA)
where:
Base-Base interactions energy: -376.840
where: short stacking energy: -182.773
Base-Backbone interact. energy: 0.692
local terms energy: -195.696084
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -32.261
flat angles C4'-P-C4' energy: -37.237
flat angles P-C4'-P energy: -29.174
tors. eta vs tors. theta energy: -58.479
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: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -546.636094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.636094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.636094 (E_RNA)
where:
Base-Base interactions energy: -364.635
where: short stacking energy: -165.080
Base-Backbone interact. energy: 1.262
local terms energy: -183.262507
where:
bonds (distance) C4'-P energy: -36.636
bonds (distance) P-C4' energy: -37.880
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -26.744
tors. eta vs tors. theta energy: -43.219
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: 5, replica: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -413.643125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.643125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.643125 (E_RNA)
where:
Base-Base interactions energy: -273.100
where: short stacking energy: -118.571
Base-Backbone interact. energy: -1.844
local terms energy: -138.699075
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -36.812
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -22.180
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -363.378396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.378396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.378396 (E_RNA)
where:
Base-Base interactions energy: -224.647
where: short stacking energy: -102.321
Base-Backbone interact. energy: 6.467
local terms energy: -145.199021
where:
bonds (distance) C4'-P energy: -31.549
bonds (distance) P-C4' energy: -40.548
flat angles C4'-P-C4' energy: -39.085
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -377.958015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.958015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.958015 (E_RNA)
where:
Base-Base interactions energy: -246.112
where: short stacking energy: -107.388
Base-Backbone interact. energy: -1.980
local terms energy: -129.865773
where:
bonds (distance) C4'-P energy: -38.993
bonds (distance) P-C4' energy: -27.684
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -19.534
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: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -294.471863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.471863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.471863 (E_RNA)
where:
Base-Base interactions energy: -152.643
where: short stacking energy: -88.584
Base-Backbone interact. energy: 1.873
local terms energy: -143.702721
where:
bonds (distance) C4'-P energy: -36.314
bonds (distance) P-C4' energy: -36.929
flat angles C4'-P-C4' energy: -42.924
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -13.555
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: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -202.977107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.977107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.977107 (E_RNA)
where:
Base-Base interactions energy: -68.310
where: short stacking energy: -59.334
Base-Backbone interact. energy: -0.925
local terms energy: -133.742211
where:
bonds (distance) C4'-P energy: -32.832
bonds (distance) P-C4' energy: -42.565
flat angles C4'-P-C4' energy: -32.900
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -8.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -168.513392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.513392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.513392 (E_RNA)
where:
Base-Base interactions energy: -60.009
where: short stacking energy: -30.372
Base-Backbone interact. energy: -0.701
local terms energy: -107.803226
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -41.844
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: 5.049
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: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -648.961762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.961762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.961762 (E_RNA)
where:
Base-Base interactions energy: -439.163
where: short stacking energy: -187.060
Base-Backbone interact. energy: -1.697
local terms energy: -208.102220
where:
bonds (distance) C4'-P energy: -38.401
bonds (distance) P-C4' energy: -36.247
flat angles C4'-P-C4' energy: -44.080
flat angles P-C4'-P energy: -29.585
tors. eta vs tors. theta energy: -59.790
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: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -620.451481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.451481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.451481 (E_RNA)
where:
Base-Base interactions energy: -418.639
where: short stacking energy: -179.758
Base-Backbone interact. energy: -0.489
local terms energy: -201.323764
where:
bonds (distance) C4'-P energy: -40.899
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -43.527
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -53.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -571.596696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.596696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.596696 (E_RNA)
where:
Base-Base interactions energy: -369.997
where: short stacking energy: -174.597
Base-Backbone interact. energy: -0.421
local terms energy: -201.178744
where:
bonds (distance) C4'-P energy: -39.278
bonds (distance) P-C4' energy: -31.634
flat angles C4'-P-C4' energy: -40.762
flat angles P-C4'-P energy: -36.948
tors. eta vs tors. theta energy: -52.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -557.015521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.015521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.015521 (E_RNA)
where:
Base-Base interactions energy: -362.874
where: short stacking energy: -162.984
Base-Backbone interact. energy: -0.578
local terms energy: -193.563181
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -42.477
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -28.773
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: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -406.638500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.638500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.638500 (E_RNA)
where:
Base-Base interactions energy: -251.986
where: short stacking energy: -118.162
Base-Backbone interact. energy: -0.007
local terms energy: -154.646049
where:
bonds (distance) C4'-P energy: -30.245
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -40.750
flat angles P-C4'-P energy: -20.533
tors. eta vs tors. theta energy: -31.986
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: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -457.862941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.862941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.862941 (E_RNA)
where:
Base-Base interactions energy: -305.483
where: short stacking energy: -136.677
Base-Backbone interact. energy: -1.388
local terms energy: -150.992681
where:
bonds (distance) C4'-P energy: -33.994
bonds (distance) P-C4' energy: -41.356
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -24.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -354.006802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.006802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.006802 (E_RNA)
where:
Base-Base interactions energy: -215.693
where: short stacking energy: -106.596
Base-Backbone interact. energy: -0.197
local terms energy: -138.116897
where:
bonds (distance) C4'-P energy: -39.012
bonds (distance) P-C4' energy: -36.204
flat angles C4'-P-C4' energy: -28.672
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -289.141928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.141928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.141928 (E_RNA)
where:
Base-Base interactions energy: -156.632
where: short stacking energy: -73.949
Base-Backbone interact. energy: 0.247
local terms energy: -132.756679
where:
bonds (distance) C4'-P energy: -42.715
bonds (distance) P-C4' energy: -31.066
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -21.685
tors. eta vs tors. theta energy: -5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -173.153632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.153632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.153632 (E_RNA)
where:
Base-Base interactions energy: -70.109
where: short stacking energy: -62.903
Base-Backbone interact. energy: -1.500
local terms energy: -101.544429
where:
bonds (distance) C4'-P energy: -28.798
bonds (distance) P-C4' energy: -29.210
flat angles C4'-P-C4' energy: -23.034
flat angles P-C4'-P energy: -21.012
tors. eta vs tors. theta energy: 0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -173.455420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.455420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.455420 (E_RNA)
where:
Base-Base interactions energy: -38.189
where: short stacking energy: -37.077
Base-Backbone interact. energy: -0.586
local terms energy: -134.680774
where:
bonds (distance) C4'-P energy: -34.337
bonds (distance) P-C4' energy: -43.711
flat angles C4'-P-C4' energy: -35.249
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -647.444876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.444876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.444876 (E_RNA)
where:
Base-Base interactions energy: -456.279
where: short stacking energy: -198.529
Base-Backbone interact. energy: -0.321
local terms energy: -190.844119
where:
bonds (distance) C4'-P energy: -33.387
bonds (distance) P-C4' energy: -30.772
flat angles C4'-P-C4' energy: -40.839
flat angles P-C4'-P energy: -29.709
tors. eta vs tors. theta energy: -56.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -648.981839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.981839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.981839 (E_RNA)
where:
Base-Base interactions energy: -438.253
where: short stacking energy: -205.882
Base-Backbone interact. energy: -0.363
local terms energy: -210.365894
where:
bonds (distance) C4'-P energy: -42.789
bonds (distance) P-C4' energy: -36.287
flat angles C4'-P-C4' energy: -47.440
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -57.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -568.843034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.843034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.843034 (E_RNA)
where:
Base-Base interactions energy: -370.744
where: short stacking energy: -171.409
Base-Backbone interact. energy: 0.744
local terms energy: -198.842343
where:
bonds (distance) C4'-P energy: -34.160
bonds (distance) P-C4' energy: -37.898
flat angles C4'-P-C4' energy: -46.122
flat angles P-C4'-P energy: -29.217
tors. eta vs tors. theta energy: -51.446
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: 56
Temperature: 1.050000
Total energy: -526.884420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.884420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.884420 (E_RNA)
where:
Base-Base interactions energy: -350.475
where: short stacking energy: -150.162
Base-Backbone interact. energy: -0.675
local terms energy: -175.735284
where:
bonds (distance) C4'-P energy: -38.887
bonds (distance) P-C4' energy: -38.474
flat angles C4'-P-C4' energy: -33.575
flat angles P-C4'-P energy: -25.640
tors. eta vs tors. theta energy: -39.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -477.316254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.316254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.316254 (E_RNA)
where:
Base-Base interactions energy: -308.704
where: short stacking energy: -125.672
Base-Backbone interact. energy: -0.073
local terms energy: -168.539988
where:
bonds (distance) C4'-P energy: -36.764
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -41.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -410.387360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.387360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.387360 (E_RNA)
where:
Base-Base interactions energy: -258.834
where: short stacking energy: -122.311
Base-Backbone interact. energy: -0.467
local terms energy: -151.086402
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -37.659
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: -29.897
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: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -296.270123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.270123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.270123 (E_RNA)
where:
Base-Base interactions energy: -140.319
where: short stacking energy: -81.617
Base-Backbone interact. energy: -2.130
local terms energy: -153.820894
where:
bonds (distance) C4'-P energy: -39.585
bonds (distance) P-C4' energy: -41.705
flat angles C4'-P-C4' energy: -36.684
flat angles P-C4'-P energy: -24.141
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -331.058823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.058823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.058823 (E_RNA)
where:
Base-Base interactions energy: -192.698
where: short stacking energy: -91.717
Base-Backbone interact. energy: -0.641
local terms energy: -137.719729
where:
bonds (distance) C4'-P energy: -33.058
bonds (distance) P-C4' energy: -38.712
flat angles C4'-P-C4' energy: -44.507
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -5.774
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: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -171.196086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.196086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.196086 (E_RNA)
where:
Base-Base interactions energy: -62.977
where: short stacking energy: -51.572
Base-Backbone interact. energy: 4.215
local terms energy: -112.433397
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -40.476
flat angles C4'-P-C4' energy: -26.188
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: 2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -167.591885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.591885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.591885 (E_RNA)
where:
Base-Base interactions energy: -48.515
where: short stacking energy: -38.376
Base-Backbone interact. energy: -1.145
local terms energy: -117.931699
where:
bonds (distance) C4'-P energy: -35.727
bonds (distance) P-C4' energy: -32.602
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -22.532
tors. eta vs tors. theta energy: 1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -647.014283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.014283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.014283 (E_RNA)
where:
Base-Base interactions energy: -439.655
where: short stacking energy: -179.796
Base-Backbone interact. energy: -1.230
local terms energy: -206.129102
where:
bonds (distance) C4'-P energy: -37.967
bonds (distance) P-C4' energy: -38.826
flat angles C4'-P-C4' energy: -39.393
flat angles P-C4'-P energy: -31.856
tors. eta vs tors. theta energy: -58.088
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: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -622.906312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.906312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.906312 (E_RNA)
where:
Base-Base interactions energy: -420.033
where: short stacking energy: -187.703
Base-Backbone interact. energy: -0.755
local terms energy: -202.117868
where:
bonds (distance) C4'-P energy: -35.230
bonds (distance) P-C4' energy: -36.616
flat angles C4'-P-C4' energy: -46.265
flat angles P-C4'-P energy: -29.999
tors. eta vs tors. theta energy: -54.008
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: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -565.867961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.867961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.867961 (E_RNA)
where:
Base-Base interactions energy: -364.945
where: short stacking energy: -174.062
Base-Backbone interact. energy: -0.981
local terms energy: -199.942746
where:
bonds (distance) C4'-P energy: -37.706
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -33.559
tors. eta vs tors. theta energy: -51.777
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: 57
Temperature: 1.050000
Total energy: -522.569500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.569500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.569500 (E_RNA)
where:
Base-Base interactions energy: -362.428
where: short stacking energy: -150.609
Base-Backbone interact. energy: 0.317
local terms energy: -160.458505
where:
bonds (distance) C4'-P energy: -33.641
bonds (distance) P-C4' energy: -32.755
flat angles C4'-P-C4' energy: -35.860
flat angles P-C4'-P energy: -23.154
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: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -488.132906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.132906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.132906 (E_RNA)
where:
Base-Base interactions energy: -322.639
where: short stacking energy: -153.683
Base-Backbone interact. energy: 0.539
local terms energy: -166.032264
where:
bonds (distance) C4'-P energy: -34.381
bonds (distance) P-C4' energy: -34.767
flat angles C4'-P-C4' energy: -31.978
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -45.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -392.509863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.509863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.509863 (E_RNA)
where:
Base-Base interactions energy: -232.470
where: short stacking energy: -106.508
Base-Backbone interact. energy: -1.086
local terms energy: -158.954547
where:
bonds (distance) C4'-P energy: -39.368
bonds (distance) P-C4' energy: -38.588
flat angles C4'-P-C4' energy: -38.018
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -268.504774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.504774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.504774 (E_RNA)
where:
Base-Base interactions energy: -140.331
where: short stacking energy: -82.652
Base-Backbone interact. energy: -0.643
local terms energy: -127.530037
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -31.643
flat angles C4'-P-C4' energy: -37.041
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -317.282790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.282790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.282790 (E_RNA)
where:
Base-Base interactions energy: -192.216
where: short stacking energy: -90.254
Base-Backbone interact. energy: -0.188
local terms energy: -124.878093
where:
bonds (distance) C4'-P energy: -36.032
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -26.410
flat angles P-C4'-P energy: -24.791
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -190.265013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.265013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.265013 (E_RNA)
where:
Base-Base interactions energy: -72.390
where: short stacking energy: -55.623
Base-Backbone interact. energy: 3.673
local terms energy: -121.547552
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -39.657
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -13.708
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: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -174.042332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.042332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.042332 (E_RNA)
where:
Base-Base interactions energy: -66.421
where: short stacking energy: -60.188
Base-Backbone interact. energy: 1.546
local terms energy: -109.167023
where:
bonds (distance) C4'-P energy: -25.288
bonds (distance) P-C4' energy: -32.826
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -26.429
tors. eta vs tors. theta energy: 0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -658.222297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.222297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.222297 (E_RNA)
where:
Base-Base interactions energy: -445.647
where: short stacking energy: -190.816
Base-Backbone interact. energy: 0.107
local terms energy: -212.682358
where:
bonds (distance) C4'-P energy: -39.980
bonds (distance) P-C4' energy: -43.588
flat angles C4'-P-C4' energy: -38.347
flat angles P-C4'-P energy: -36.832
tors. eta vs tors. theta energy: -53.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -629.316174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.316174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.316174 (E_RNA)
where:
Base-Base interactions energy: -423.301
where: short stacking energy: -190.742
Base-Backbone interact. energy: -1.018
local terms energy: -204.996670
where:
bonds (distance) C4'-P energy: -35.088
bonds (distance) P-C4' energy: -43.172
flat angles C4'-P-C4' energy: -42.327
flat angles P-C4'-P energy: -29.320
tors. eta vs tors. theta energy: -55.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -570.432329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.432329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.432329 (E_RNA)
where:
Base-Base interactions energy: -380.485
where: short stacking energy: -172.678
Base-Backbone interact. energy: -1.444
local terms energy: -188.503304
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -32.023
flat angles C4'-P-C4' energy: -45.407
flat angles P-C4'-P energy: -27.766
tors. eta vs tors. theta energy: -46.104
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: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -530.602697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.602697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.602697 (E_RNA)
where:
Base-Base interactions energy: -350.852
where: short stacking energy: -154.437
Base-Backbone interact. energy: -0.326
local terms energy: -179.424348
where:
bonds (distance) C4'-P energy: -34.377
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -40.374
flat angles P-C4'-P energy: -29.978
tors. eta vs tors. theta energy: -39.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -478.740063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.740063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.740063 (E_RNA)
where:
Base-Base interactions energy: -312.320
where: short stacking energy: -156.668
Base-Backbone interact. energy: 0.005
local terms energy: -166.425739
where:
bonds (distance) C4'-P energy: -34.948
bonds (distance) P-C4' energy: -30.819
flat angles C4'-P-C4' energy: -45.782
flat angles P-C4'-P energy: -22.716
tors. eta vs tors. theta energy: -32.160
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: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -398.219428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.219428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.219428 (E_RNA)
where:
Base-Base interactions energy: -255.422
where: short stacking energy: -122.981
Base-Backbone interact. energy: 0.633
local terms energy: -143.429951
where:
bonds (distance) C4'-P energy: -31.856
bonds (distance) P-C4' energy: -35.366
flat angles C4'-P-C4' energy: -28.717
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -29.725
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: 58
Temperature: 1.200000
Total energy: -376.290810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.290810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.290810 (E_RNA)
where:
Base-Base interactions energy: -224.798
where: short stacking energy: -113.512
Base-Backbone interact. energy: 1.071
local terms energy: -152.564501
where:
bonds (distance) C4'-P energy: -32.158
bonds (distance) P-C4' energy: -40.580
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -25.300
tors. eta vs tors. theta energy: -24.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -259.789849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.789849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.789849 (E_RNA)
where:
Base-Base interactions energy: -135.026
where: short stacking energy: -71.944
Base-Backbone interact. energy: -0.336
local terms energy: -124.428691
where:
bonds (distance) C4'-P energy: -26.600
bonds (distance) P-C4' energy: -35.258
flat angles C4'-P-C4' energy: -36.163
flat angles P-C4'-P energy: -21.811
tors. eta vs tors. theta energy: -4.596
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: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -194.122442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.122442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.122442 (E_RNA)
where:
Base-Base interactions energy: -71.226
where: short stacking energy: -71.924
Base-Backbone interact. energy: -0.094
local terms energy: -122.803016
where:
bonds (distance) C4'-P energy: -38.143
bonds (distance) P-C4' energy: -34.153
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -170.889268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.889268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.889268 (E_RNA)
where:
Base-Base interactions energy: -55.220
where: short stacking energy: -47.453
Base-Backbone interact. energy: -0.378
local terms energy: -115.291349
where:
bonds (distance) C4'-P energy: -45.783
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -30.889
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -658.884010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.884010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.884010 (E_RNA)
where:
Base-Base interactions energy: -445.733
where: short stacking energy: -195.892
Base-Backbone interact. energy: -0.386
local terms energy: -212.764596
where:
bonds (distance) C4'-P energy: -43.066
bonds (distance) P-C4' energy: -43.428
flat angles C4'-P-C4' energy: -43.743
flat angles P-C4'-P energy: -29.104
tors. eta vs tors. theta energy: -53.423
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: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -596.406081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.406081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.406081 (E_RNA)
where:
Base-Base interactions energy: -404.535
where: short stacking energy: -172.092
Base-Backbone interact. energy: -0.846
local terms energy: -191.025227
where:
bonds (distance) C4'-P energy: -34.988
bonds (distance) P-C4' energy: -41.268
flat angles C4'-P-C4' energy: -40.916
flat angles P-C4'-P energy: -22.317
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: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -576.658640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.658640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.658640 (E_RNA)
where:
Base-Base interactions energy: -377.361
where: short stacking energy: -183.049
Base-Backbone interact. energy: -0.349
local terms energy: -198.948997
where:
bonds (distance) C4'-P energy: -36.041
bonds (distance) P-C4' energy: -37.949
flat angles C4'-P-C4' energy: -45.966
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -57.454
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: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -542.437993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.437993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.437993 (E_RNA)
where:
Base-Base interactions energy: -376.311
where: short stacking energy: -145.013
Base-Backbone interact. energy: -1.134
local terms energy: -164.993014
where:
bonds (distance) C4'-P energy: -38.800
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -36.192
flat angles P-C4'-P energy: -20.091
tors. eta vs tors. theta energy: -40.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -525.641437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.641437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.641437 (E_RNA)
where:
Base-Base interactions energy: -363.466
where: short stacking energy: -142.654
Base-Backbone interact. energy: -0.129
local terms energy: -162.046852
where:
bonds (distance) C4'-P energy: -30.291
bonds (distance) P-C4' energy: -39.260
flat angles C4'-P-C4' energy: -38.002
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -37.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -406.770337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.770337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.770337 (E_RNA)
where:
Base-Base interactions energy: -238.443
where: short stacking energy: -120.007
Base-Backbone interact. energy: 0.354
local terms energy: -168.681981
where:
bonds (distance) C4'-P energy: -36.836
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -34.210
flat angles P-C4'-P energy: -25.983
tors. eta vs tors. theta energy: -30.025
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: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -367.790049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.790049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.790049 (E_RNA)
where:
Base-Base interactions energy: -223.166
where: short stacking energy: -112.959
Base-Backbone interact. energy: -0.490
local terms energy: -144.134061
where:
bonds (distance) C4'-P energy: -33.674
bonds (distance) P-C4' energy: -27.868
flat angles C4'-P-C4' energy: -41.334
flat angles P-C4'-P energy: -17.965
tors. eta vs tors. theta energy: -23.294
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: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -265.379978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.379978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.379978 (E_RNA)
where:
Base-Base interactions energy: -146.061
where: short stacking energy: -86.465
Base-Backbone interact. energy: -0.339
local terms energy: -118.980225
where:
bonds (distance) C4'-P energy: -26.939
bonds (distance) P-C4' energy: -37.094
flat angles C4'-P-C4' energy: -25.882
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -15.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -196.831011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.831011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.831011 (E_RNA)
where:
Base-Base interactions energy: -86.230
where: short stacking energy: -54.416
Base-Backbone interact. energy: -1.193
local terms energy: -109.407782
where:
bonds (distance) C4'-P energy: -33.056
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: 3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -167.252402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.252402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.252402 (E_RNA)
where:
Base-Base interactions energy: -44.613
where: short stacking energy: -44.717
Base-Backbone interact. energy: 0.852
local terms energy: -123.490887
where:
bonds (distance) C4'-P energy: -30.272
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -6.457
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: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -660.560578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.560578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.560578 (E_RNA)
where:
Base-Base interactions energy: -446.939
where: short stacking energy: -193.207
Base-Backbone interact. energy: -0.904
local terms energy: -212.717458
where:
bonds (distance) C4'-P energy: -38.215
bonds (distance) P-C4' energy: -38.137
flat angles C4'-P-C4' energy: -43.484
flat angles P-C4'-P energy: -35.205
tors. eta vs tors. theta energy: -57.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -607.875460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.875460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.875460 (E_RNA)
where:
Base-Base interactions energy: -414.153
where: short stacking energy: -181.909
Base-Backbone interact. energy: -0.128
local terms energy: -193.593765
where:
bonds (distance) C4'-P energy: -35.869
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -43.851
flat angles P-C4'-P energy: -26.514
tors. eta vs tors. theta energy: -50.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -596.409193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.409193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.409193 (E_RNA)
where:
Base-Base interactions energy: -389.861
where: short stacking energy: -197.552
Base-Backbone interact. energy: 0.353
local terms energy: -206.901081
where:
bonds (distance) C4'-P energy: -38.582
bonds (distance) P-C4' energy: -38.469
flat angles C4'-P-C4' energy: -44.992
flat angles P-C4'-P energy: -30.319
tors. eta vs tors. theta energy: -54.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -538.288042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.288042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.288042 (E_RNA)
where:
Base-Base interactions energy: -345.872
where: short stacking energy: -147.769
Base-Backbone interact. energy: -0.343
local terms energy: -192.073609
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -40.863
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -44.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -499.632490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.632490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.632490 (E_RNA)
where:
Base-Base interactions energy: -315.680
where: short stacking energy: -133.070
Base-Backbone interact. energy: -0.933
local terms energy: -183.019411
where:
bonds (distance) C4'-P energy: -37.361
bonds (distance) P-C4' energy: -43.191
flat angles C4'-P-C4' energy: -37.735
flat angles P-C4'-P energy: -26.056
tors. eta vs tors. theta energy: -38.676
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: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -351.559747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.559747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.559747 (E_RNA)
where:
Base-Base interactions energy: -217.041
where: short stacking energy: -93.023
Base-Backbone interact. energy: -0.764
local terms energy: -133.754352
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -39.087
flat angles C4'-P-C4' energy: -34.945
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -281.722541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.722541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.722541 (E_RNA)
where:
Base-Base interactions energy: -143.473
where: short stacking energy: -81.644
Base-Backbone interact. energy: -0.947
local terms energy: -137.302909
where:
bonds (distance) C4'-P energy: -32.845
bonds (distance) P-C4' energy: -36.912
flat angles C4'-P-C4' energy: -36.713
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -335.363690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.363690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.363690 (E_RNA)
where:
Base-Base interactions energy: -202.706
where: short stacking energy: -86.511
Base-Backbone interact. energy: -0.501
local terms energy: -132.156674
where:
bonds (distance) C4'-P energy: -30.585
bonds (distance) P-C4' energy: -33.965
flat angles C4'-P-C4' energy: -31.730
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -19.465
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: 60
Temperature: 1.300000
Total energy: -224.856252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.856252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.856252 (E_RNA)
where:
Base-Base interactions energy: -97.541
where: short stacking energy: -59.264
Base-Backbone interact. energy: -0.181
local terms energy: -127.134697
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -37.092
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -2.741
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: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -162.228788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.228788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.228788 (E_RNA)
where:
Base-Base interactions energy: -53.490
where: short stacking energy: -51.177
Base-Backbone interact. energy: -0.869
local terms energy: -107.869812
where:
bonds (distance) C4'-P energy: -34.296
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: 6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -643.641743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.641743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.641743 (E_RNA)
where:
Base-Base interactions energy: -443.789
where: short stacking energy: -189.596
Base-Backbone interact. energy: 1.320
local terms energy: -201.173610
where:
bonds (distance) C4'-P energy: -37.544
bonds (distance) P-C4' energy: -41.324
flat angles C4'-P-C4' energy: -43.865
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: -54.213
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: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -631.088692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.088692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.088692 (E_RNA)
where:
Base-Base interactions energy: -412.770
where: short stacking energy: -200.129
Base-Backbone interact. energy: -0.300
local terms energy: -218.018227
where:
bonds (distance) C4'-P energy: -40.996
bonds (distance) P-C4' energy: -41.031
flat angles C4'-P-C4' energy: -44.807
flat angles P-C4'-P energy: -30.167
tors. eta vs tors. theta energy: -61.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -582.141868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.141868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.141868 (E_RNA)
where:
Base-Base interactions energy: -403.292
where: short stacking energy: -166.544
Base-Backbone interact. energy: -0.028
local terms energy: -178.822575
where:
bonds (distance) C4'-P energy: -34.585
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -38.454
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: -49.312
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: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -500.926652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.926652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.926652 (E_RNA)
where:
Base-Base interactions energy: -326.390
where: short stacking energy: -137.055
Base-Backbone interact. energy: 1.400
local terms energy: -175.937156
where:
bonds (distance) C4'-P energy: -34.835
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -45.028
flat angles P-C4'-P energy: -27.876
tors. eta vs tors. theta energy: -39.602
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: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -526.770902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.770902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.770902 (E_RNA)
where:
Base-Base interactions energy: -357.166
where: short stacking energy: -162.485
Base-Backbone interact. energy: -1.164
local terms energy: -168.441798
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -41.028
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -40.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -383.007210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.007210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.007210 (E_RNA)
where:
Base-Base interactions energy: -235.722
where: short stacking energy: -98.383
Base-Backbone interact. energy: -0.700
local terms energy: -146.585104
where:
bonds (distance) C4'-P energy: -31.315
bonds (distance) P-C4' energy: -32.211
flat angles C4'-P-C4' energy: -36.095
flat angles P-C4'-P energy: -26.770
tors. eta vs tors. theta energy: -20.196
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: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -321.856194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.856194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.856194 (E_RNA)
where:
Base-Base interactions energy: -191.369
where: short stacking energy: -87.907
Base-Backbone interact. energy: 6.464
local terms energy: -136.951562
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -28.846
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -26.091
tors. eta vs tors. theta energy: -14.076
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: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -335.180103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.180103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.180103 (E_RNA)
where:
Base-Base interactions energy: -208.435
where: short stacking energy: -108.654
Base-Backbone interact. energy: 1.152
local terms energy: -127.897868
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -35.574
flat angles C4'-P-C4' energy: -29.601
flat angles P-C4'-P energy: -13.091
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: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -251.525604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.525604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.525604 (E_RNA)
where:
Base-Base interactions energy: -118.604
where: short stacking energy: -64.213
Base-Backbone interact. energy: 3.175
local terms energy: -136.096584
where:
bonds (distance) C4'-P energy: -39.122
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -24.819
tors. eta vs tors. theta energy: -8.717
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: 61
Temperature: 1.350000
Total energy: -163.624292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.624292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.624292 (E_RNA)
where:
Base-Base interactions energy: -49.720
where: short stacking energy: -49.720
Base-Backbone interact. energy: -0.892
local terms energy: -113.012492
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -43.021
flat angles C4'-P-C4' energy: -30.436
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: 0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -644.490343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.490343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.490343 (E_RNA)
where:
Base-Base interactions energy: -441.560
where: short stacking energy: -189.294
Base-Backbone interact. energy: 2.185
local terms energy: -205.115761
where:
bonds (distance) C4'-P energy: -34.771
bonds (distance) P-C4' energy: -38.156
flat angles C4'-P-C4' energy: -45.334
flat angles P-C4'-P energy: -32.606
tors. eta vs tors. theta energy: -54.248
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: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -600.264307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.264307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.264307 (E_RNA)
where:
Base-Base interactions energy: -385.976
where: short stacking energy: -185.935
Base-Backbone interact. energy: -1.013
local terms energy: -213.275803
where:
bonds (distance) C4'-P energy: -37.579
bonds (distance) P-C4' energy: -40.626
flat angles C4'-P-C4' energy: -43.024
flat angles P-C4'-P energy: -32.372
tors. eta vs tors. theta energy: -59.676
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: 3, replica: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -554.746646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.746646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.746646 (E_RNA)
where:
Base-Base interactions energy: -360.146
where: short stacking energy: -165.263
Base-Backbone interact. energy: -0.825
local terms energy: -193.775734
where:
bonds (distance) C4'-P energy: -29.234
bonds (distance) P-C4' energy: -42.285
flat angles C4'-P-C4' energy: -43.923
flat angles P-C4'-P energy: -32.400
tors. eta vs tors. theta energy: -45.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -513.180060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.180060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.180060 (E_RNA)
where:
Base-Base interactions energy: -324.128
where: short stacking energy: -139.531
Base-Backbone interact. energy: -1.580
local terms energy: -187.471305
where:
bonds (distance) C4'-P energy: -35.387
bonds (distance) P-C4' energy: -41.322
flat angles C4'-P-C4' energy: -42.604
flat angles P-C4'-P energy: -34.661
tors. eta vs tors. theta energy: -33.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -533.668879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.668879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.668879 (E_RNA)
where:
Base-Base interactions energy: -359.486
where: short stacking energy: -159.341
Base-Backbone interact. energy: 0.408
local terms energy: -174.590061
where:
bonds (distance) C4'-P energy: -34.829
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -44.946
flat angles P-C4'-P energy: -29.411
tors. eta vs tors. theta energy: -39.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -371.518749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.518749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.518749 (E_RNA)
where:
Base-Base interactions energy: -225.834
where: short stacking energy: -111.395
Base-Backbone interact. energy: -0.916
local terms energy: -144.768746
where:
bonds (distance) C4'-P energy: -30.718
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -32.046
flat angles P-C4'-P energy: -22.779
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -308.534352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.534352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.534352 (E_RNA)
where:
Base-Base interactions energy: -177.232
where: short stacking energy: -87.733
Base-Backbone interact. energy: 2.390
local terms energy: -133.692497
where:
bonds (distance) C4'-P energy: -22.330
bonds (distance) P-C4' energy: -43.186
flat angles C4'-P-C4' energy: -27.108
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -19.929
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: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -341.985228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.985228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.985228 (E_RNA)
where:
Base-Base interactions energy: -212.163
where: short stacking energy: -114.759
Base-Backbone interact. energy: -0.365
local terms energy: -129.456967
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -30.814
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -265.940591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.940591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.940591 (E_RNA)
where:
Base-Base interactions energy: -130.463
where: short stacking energy: -61.954
Base-Backbone interact. energy: 1.267
local terms energy: -136.745099
where:
bonds (distance) C4'-P energy: -36.608
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -32.215
flat angles P-C4'-P energy: -25.770
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -176.005372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.005372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.005372 (E_RNA)
where:
Base-Base interactions energy: -54.498
where: short stacking energy: -40.792
Base-Backbone interact. energy: -0.267
local terms energy: -121.240196
where:
bonds (distance) C4'-P energy: -37.770
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -657.610587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.610587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.610587 (E_RNA)
where:
Base-Base interactions energy: -455.932
where: short stacking energy: -191.413
Base-Backbone interact. energy: 0.642
local terms energy: -202.320116
where:
bonds (distance) C4'-P energy: -42.643
bonds (distance) P-C4' energy: -40.696
flat angles C4'-P-C4' energy: -36.289
flat angles P-C4'-P energy: -27.830
tors. eta vs tors. theta energy: -54.861
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: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -604.865119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.865119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.865119 (E_RNA)
where:
Base-Base interactions energy: -402.986
where: short stacking energy: -169.272
Base-Backbone interact. energy: -2.455
local terms energy: -199.423908
where:
bonds (distance) C4'-P energy: -39.214
bonds (distance) P-C4' energy: -35.518
flat angles C4'-P-C4' energy: -44.048
flat angles P-C4'-P energy: -27.622
tors. eta vs tors. theta energy: -53.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -577.695585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.695585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.695585 (E_RNA)
where:
Base-Base interactions energy: -389.002
where: short stacking energy: -184.561
Base-Backbone interact. energy: -0.559
local terms energy: -188.133901
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -37.880
flat angles C4'-P-C4' energy: -36.798
flat angles P-C4'-P energy: -30.153
tors. eta vs tors. theta energy: -51.045
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: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -546.371625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.371625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.371625 (E_RNA)
where:
Base-Base interactions energy: -361.807
where: short stacking energy: -160.011
Base-Backbone interact. energy: -1.135
local terms energy: -183.429879
where:
bonds (distance) C4'-P energy: -37.630
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -39.268
flat angles P-C4'-P energy: -29.143
tors. eta vs tors. theta energy: -39.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -528.071851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.071851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.071851 (E_RNA)
where:
Base-Base interactions energy: -351.002
where: short stacking energy: -152.135
Base-Backbone interact. energy: 0.361
local terms energy: -177.430807
where:
bonds (distance) C4'-P energy: -36.899
bonds (distance) P-C4' energy: -39.624
flat angles C4'-P-C4' energy: -42.469
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -34.984
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: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -363.477638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.477638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.477638 (E_RNA)
where:
Base-Base interactions energy: -226.087
where: short stacking energy: -109.613
Base-Backbone interact. energy: -1.281
local terms energy: -136.109044
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -33.238
flat angles C4'-P-C4' energy: -34.783
flat angles P-C4'-P energy: -21.628
tors. eta vs tors. theta energy: -22.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -314.227919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.227919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.227919 (E_RNA)
where:
Base-Base interactions energy: -182.194
where: short stacking energy: -97.442
Base-Backbone interact. energy: 1.379
local terms energy: -133.413122
where:
bonds (distance) C4'-P energy: -36.410
bonds (distance) P-C4' energy: -34.122
flat angles C4'-P-C4' energy: -33.007
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -299.940245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.940245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.940245 (E_RNA)
where:
Base-Base interactions energy: -175.003
where: short stacking energy: -77.461
Base-Backbone interact. energy: -0.051
local terms energy: -124.886465
where:
bonds (distance) C4'-P energy: -33.437
bonds (distance) P-C4' energy: -34.773
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -10.278
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: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -254.356455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.356455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.356455 (E_RNA)
where:
Base-Base interactions energy: -135.341
where: short stacking energy: -74.730
Base-Backbone interact. energy: -1.198
local terms energy: -117.817582
where:
bonds (distance) C4'-P energy: -36.086
bonds (distance) P-C4' energy: -33.598
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -167.771794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.771794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.771794 (E_RNA)
where:
Base-Base interactions energy: -55.722
where: short stacking energy: -39.578
Base-Backbone interact. energy: -1.181
local terms energy: -110.869290
where:
bonds (distance) C4'-P energy: -32.712
bonds (distance) P-C4' energy: -37.318
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -2.344
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: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -645.830454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.830454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.830454 (E_RNA)
where:
Base-Base interactions energy: -440.471
where: short stacking energy: -180.596
Base-Backbone interact. energy: -0.835
local terms energy: -204.525025
where:
bonds (distance) C4'-P energy: -40.293
bonds (distance) P-C4' energy: -36.147
flat angles C4'-P-C4' energy: -42.361
flat angles P-C4'-P energy: -31.448
tors. eta vs tors. theta energy: -54.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -597.917303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.917303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.917303 (E_RNA)
where:
Base-Base interactions energy: -402.220
where: short stacking energy: -168.840
Base-Backbone interact. energy: -0.197
local terms energy: -195.499609
where:
bonds (distance) C4'-P energy: -36.315
bonds (distance) P-C4' energy: -38.231
flat angles C4'-P-C4' energy: -44.759
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -53.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -591.300714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.300714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.300714 (E_RNA)
where:
Base-Base interactions energy: -388.445
where: short stacking energy: -187.765
Base-Backbone interact. energy: -0.830
local terms energy: -202.026141
where:
bonds (distance) C4'-P energy: -38.464
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -39.410
flat angles P-C4'-P energy: -28.424
tors. eta vs tors. theta energy: -60.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -542.083917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.083917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.083917 (E_RNA)
where:
Base-Base interactions energy: -369.862
where: short stacking energy: -159.887
Base-Backbone interact. energy: -1.880
local terms energy: -170.342810
where:
bonds (distance) C4'-P energy: -35.362
bonds (distance) P-C4' energy: -42.694
flat angles C4'-P-C4' energy: -29.586
flat angles P-C4'-P energy: -25.287
tors. eta vs tors. theta energy: -37.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -504.094815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.094815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.094815 (E_RNA)
where:
Base-Base interactions energy: -347.090
where: short stacking energy: -145.139
Base-Backbone interact. energy: -0.623
local terms energy: -156.381685
where:
bonds (distance) C4'-P energy: -27.210
bonds (distance) P-C4' energy: -31.202
flat angles C4'-P-C4' energy: -40.811
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: -35.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -387.595680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.595680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.595680 (E_RNA)
where:
Base-Base interactions energy: -237.514
where: short stacking energy: -119.599
Base-Backbone interact. energy: -0.631
local terms energy: -149.449777
where:
bonds (distance) C4'-P energy: -40.341
bonds (distance) P-C4' energy: -37.465
flat angles C4'-P-C4' energy: -30.377
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -330.353955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.353955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.353955 (E_RNA)
where:
Base-Base interactions energy: -181.270
where: short stacking energy: -107.226
Base-Backbone interact. energy: 0.978
local terms energy: -150.062302
where:
bonds (distance) C4'-P energy: -39.907
bonds (distance) P-C4' energy: -27.844
flat angles C4'-P-C4' energy: -34.809
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -19.421
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: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -259.137022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.137022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.137022 (E_RNA)
where:
Base-Base interactions energy: -147.458
where: short stacking energy: -71.954
Base-Backbone interact. energy: -0.748
local terms energy: -110.930662
where:
bonds (distance) C4'-P energy: -27.409
bonds (distance) P-C4' energy: -35.477
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -1.909
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: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -254.626793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.626793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.626793 (E_RNA)
where:
Base-Base interactions energy: -128.879
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.998
local terms energy: -124.750158
where:
bonds (distance) C4'-P energy: -41.293
bonds (distance) P-C4' energy: -35.494
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -1.921
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: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -174.934809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.934809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.934809 (E_RNA)
where:
Base-Base interactions energy: -66.505
where: short stacking energy: -48.931
Base-Backbone interact. energy: 7.930
local terms energy: -116.360132
where:
bonds (distance) C4'-P energy: -33.657
bonds (distance) P-C4' energy: -36.473
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -20.950
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -642.420155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.420155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.420155 (E_RNA)
where:
Base-Base interactions energy: -448.646
where: short stacking energy: -181.788
Base-Backbone interact. energy: -0.861
local terms energy: -192.913567
where:
bonds (distance) C4'-P energy: -42.620
bonds (distance) P-C4' energy: -34.931
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -57.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -591.201804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.201804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.201804 (E_RNA)
where:
Base-Base interactions energy: -391.615
where: short stacking energy: -183.160
Base-Backbone interact. energy: -0.174
local terms energy: -199.413061
where:
bonds (distance) C4'-P energy: -36.385
bonds (distance) P-C4' energy: -36.304
flat angles C4'-P-C4' energy: -40.679
flat angles P-C4'-P energy: -33.073
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: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -562.110772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.110772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.110772 (E_RNA)
where:
Base-Base interactions energy: -367.243
where: short stacking energy: -178.337
Base-Backbone interact. energy: -0.449
local terms energy: -194.419190
where:
bonds (distance) C4'-P energy: -44.792
bonds (distance) P-C4' energy: -30.897
flat angles C4'-P-C4' energy: -39.802
flat angles P-C4'-P energy: -27.564
tors. eta vs tors. theta energy: -51.364
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: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -550.582369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.582369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.582369 (E_RNA)
where:
Base-Base interactions energy: -366.360
where: short stacking energy: -155.609
Base-Backbone interact. energy: -0.571
local terms energy: -183.651513
where:
bonds (distance) C4'-P energy: -35.368
bonds (distance) P-C4' energy: -40.219
flat angles C4'-P-C4' energy: -42.002
flat angles P-C4'-P energy: -24.723
tors. eta vs tors. theta energy: -41.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -523.288158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.288158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.288158 (E_RNA)
where:
Base-Base interactions energy: -351.035
where: short stacking energy: -146.128
Base-Backbone interact. energy: -0.581
local terms energy: -171.671244
where:
bonds (distance) C4'-P energy: -38.013
bonds (distance) P-C4' energy: -38.383
flat angles C4'-P-C4' energy: -31.960
flat angles P-C4'-P energy: -25.463
tors. eta vs tors. theta energy: -37.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -335.087599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.087599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.087599 (E_RNA)
where:
Base-Base interactions energy: -186.751
where: short stacking energy: -100.968
Base-Backbone interact. energy: 0.124
local terms energy: -148.461208
where:
bonds (distance) C4'-P energy: -34.957
bonds (distance) P-C4' energy: -34.653
flat angles C4'-P-C4' energy: -37.807
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -21.723
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: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -362.057274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.057274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.057274 (E_RNA)
where:
Base-Base interactions energy: -216.212
where: short stacking energy: -100.561
Base-Backbone interact. energy: -0.360
local terms energy: -145.485539
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -39.790
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -26.667
tors. eta vs tors. theta energy: -28.860
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: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -290.142709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.142709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.142709 (E_RNA)
where:
Base-Base interactions energy: -138.083
where: short stacking energy: -75.599
Base-Backbone interact. energy: 3.927
local terms energy: -155.986811
where:
bonds (distance) C4'-P energy: -37.675
bonds (distance) P-C4' energy: -36.307
flat angles C4'-P-C4' energy: -45.233
flat angles P-C4'-P energy: -25.386
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -321.647791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.647791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.647791 (E_RNA)
where:
Base-Base interactions energy: -196.002
where: short stacking energy: -95.231
Base-Backbone interact. energy: -0.579
local terms energy: -125.066178
where:
bonds (distance) C4'-P energy: -36.271
bonds (distance) P-C4' energy: -29.442
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -16.042
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: 65
Temperature: 1.350000
Total energy: -219.960175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.960175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.960175 (E_RNA)
where:
Base-Base interactions energy: -85.917
where: short stacking energy: -55.478
Base-Backbone interact. energy: 1.674
local terms energy: -135.717076
where:
bonds (distance) C4'-P energy: -33.955
bonds (distance) P-C4' energy: -37.630
flat angles C4'-P-C4' energy: -29.844
flat angles P-C4'-P energy: -26.382
tors. eta vs tors. theta energy: -7.906
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: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -646.702017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.702017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.702017 (E_RNA)
where:
Base-Base interactions energy: -433.167
where: short stacking energy: -196.176
Base-Backbone interact. energy: -1.551
local terms energy: -211.984183
where:
bonds (distance) C4'-P energy: -42.685
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -47.609
flat angles P-C4'-P energy: -27.952
tors. eta vs tors. theta energy: -54.209
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: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -611.687700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.687700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.687700 (E_RNA)
where:
Base-Base interactions energy: -416.945
where: short stacking energy: -189.208
Base-Backbone interact. energy: -0.145
local terms energy: -194.597560
where:
bonds (distance) C4'-P energy: -37.679
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -44.117
flat angles P-C4'-P energy: -25.834
tors. eta vs tors. theta energy: -49.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -571.969133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.969133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.969133 (E_RNA)
where:
Base-Base interactions energy: -368.321
where: short stacking energy: -176.056
Base-Backbone interact. energy: -0.045
local terms energy: -203.602828
where:
bonds (distance) C4'-P energy: -41.782
bonds (distance) P-C4' energy: -34.916
flat angles C4'-P-C4' energy: -43.663
flat angles P-C4'-P energy: -30.083
tors. eta vs tors. theta energy: -53.159
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: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -568.244738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.244738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.244738 (E_RNA)
where:
Base-Base interactions energy: -394.017
where: short stacking energy: -158.676
Base-Backbone interact. energy: -0.232
local terms energy: -173.995736
where:
bonds (distance) C4'-P energy: -42.557
bonds (distance) P-C4' energy: -34.954
flat angles C4'-P-C4' energy: -40.284
flat angles P-C4'-P energy: -27.442
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: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -512.836553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.836553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.836553 (E_RNA)
where:
Base-Base interactions energy: -340.715
where: short stacking energy: -153.598
Base-Backbone interact. energy: -0.619
local terms energy: -171.502659
where:
bonds (distance) C4'-P energy: -36.830
bonds (distance) P-C4' energy: -39.905
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -27.779
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: 6, replica: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -383.982350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.982350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.982350 (E_RNA)
where:
Base-Base interactions energy: -228.234
where: short stacking energy: -120.697
Base-Backbone interact. energy: -1.425
local terms energy: -154.324036
where:
bonds (distance) C4'-P energy: -34.808
bonds (distance) P-C4' energy: -40.653
flat angles C4'-P-C4' energy: -42.761
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -25.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -295.833686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.833686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.833686 (E_RNA)
where:
Base-Base interactions energy: -159.153
where: short stacking energy: -84.907
Base-Backbone interact. energy: -1.738
local terms energy: -134.942598
where:
bonds (distance) C4'-P energy: -41.636
bonds (distance) P-C4' energy: -35.007
flat angles C4'-P-C4' energy: -28.500
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -330.971485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.971485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.971485 (E_RNA)
where:
Base-Base interactions energy: -190.727
where: short stacking energy: -101.584
Base-Backbone interact. energy: -0.769
local terms energy: -139.474972
where:
bonds (distance) C4'-P energy: -35.382
bonds (distance) P-C4' energy: -33.246
flat angles C4'-P-C4' energy: -28.363
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -21.366
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: 66
Temperature: 1.300000
Total energy: -233.521438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.521438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.521438 (E_RNA)
where:
Base-Base interactions energy: -98.441
where: short stacking energy: -65.088
Base-Backbone interact. energy: 1.150
local terms energy: -136.230483
where:
bonds (distance) C4'-P energy: -37.498
bonds (distance) P-C4' energy: -37.857
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -24.296
tors. eta vs tors. theta energy: -8.095
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: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -269.077078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.077078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.077078 (E_RNA)
where:
Base-Base interactions energy: -149.769
where: short stacking energy: -85.043
Base-Backbone interact. energy: 6.718
local terms energy: -126.025799
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -32.703
flat angles C4'-P-C4' energy: -35.220
flat angles P-C4'-P energy: -22.155
tors. eta vs tors. theta energy: -9.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -662.357334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.357334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.357334 (E_RNA)
where:
Base-Base interactions energy: -451.717
where: short stacking energy: -189.799
Base-Backbone interact. energy: 0.230
local terms energy: -210.870846
where:
bonds (distance) C4'-P energy: -45.313
bonds (distance) P-C4' energy: -38.288
flat angles C4'-P-C4' energy: -39.462
flat angles P-C4'-P energy: -29.771
tors. eta vs tors. theta energy: -58.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -618.050435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.050435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.050435 (E_RNA)
where:
Base-Base interactions energy: -416.619
where: short stacking energy: -183.162
Base-Backbone interact. energy: -0.543
local terms energy: -200.888065
where:
bonds (distance) C4'-P energy: -41.527
bonds (distance) P-C4' energy: -42.296
flat angles C4'-P-C4' energy: -43.396
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -49.311
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: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -554.206744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.206744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.206744 (E_RNA)
where:
Base-Base interactions energy: -360.009
where: short stacking energy: -164.153
Base-Backbone interact. energy: -0.395
local terms energy: -193.803319
where:
bonds (distance) C4'-P energy: -35.672
bonds (distance) P-C4' energy: -40.776
flat angles C4'-P-C4' energy: -36.415
flat angles P-C4'-P energy: -26.348
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: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -562.786825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.786825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.786825 (E_RNA)
where:
Base-Base interactions energy: -393.868
where: short stacking energy: -144.438
Base-Backbone interact. energy: -1.652
local terms energy: -167.266718
where:
bonds (distance) C4'-P energy: -40.489
bonds (distance) P-C4' energy: -34.195
flat angles C4'-P-C4' energy: -30.109
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -36.110
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: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -518.633004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.633004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.633004 (E_RNA)
where:
Base-Base interactions energy: -340.640
where: short stacking energy: -153.766
Base-Backbone interact. energy: 0.801
local terms energy: -178.794359
where:
bonds (distance) C4'-P energy: -36.423
bonds (distance) P-C4' energy: -36.395
flat angles C4'-P-C4' energy: -29.054
flat angles P-C4'-P energy: -34.679
tors. eta vs tors. theta energy: -42.242
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: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -440.475595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.475595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.475595 (E_RNA)
where:
Base-Base interactions energy: -269.466
where: short stacking energy: -127.615
Base-Backbone interact. energy: 0.573
local terms energy: -171.582028
where:
bonds (distance) C4'-P energy: -36.249
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -36.406
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: -39.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -323.332072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.332072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.332072 (E_RNA)
where:
Base-Base interactions energy: -175.322
where: short stacking energy: -109.196
Base-Backbone interact. energy: 0.373
local terms energy: -148.383596
where:
bonds (distance) C4'-P energy: -35.328
bonds (distance) P-C4' energy: -40.927
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: -21.316
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: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -327.718575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.718575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.718575 (E_RNA)
where:
Base-Base interactions energy: -198.269
where: short stacking energy: -80.836
Base-Backbone interact. energy: -1.308
local terms energy: -128.141796
where:
bonds (distance) C4'-P energy: -31.016
bonds (distance) P-C4' energy: -35.334
flat angles C4'-P-C4' energy: -33.502
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -187.355917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.355917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.355917 (E_RNA)
where:
Base-Base interactions energy: -82.694
where: short stacking energy: -49.681
Base-Backbone interact. energy: 0.251
local terms energy: -104.913392
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -26.878
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: 4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -250.942491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.942491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.942491 (E_RNA)
where:
Base-Base interactions energy: -128.414
where: short stacking energy: -59.398
Base-Backbone interact. energy: -0.101
local terms energy: -122.427486
where:
bonds (distance) C4'-P energy: -37.486
bonds (distance) P-C4' energy: -36.633
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -643.872132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.872132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.872132 (E_RNA)
where:
Base-Base interactions energy: -445.967
where: short stacking energy: -183.374
Base-Backbone interact. energy: 1.111
local terms energy: -199.016770
where:
bonds (distance) C4'-P energy: -32.769
bonds (distance) P-C4' energy: -41.263
flat angles C4'-P-C4' energy: -42.830
flat angles P-C4'-P energy: -26.332
tors. eta vs tors. theta energy: -55.823
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: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -620.731261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.731261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.731261 (E_RNA)
where:
Base-Base interactions energy: -410.709
where: short stacking energy: -179.858
Base-Backbone interact. energy: -1.301
local terms energy: -208.721388
where:
bonds (distance) C4'-P energy: -38.318
bonds (distance) P-C4' energy: -46.333
flat angles C4'-P-C4' energy: -46.937
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -53.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -539.630575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.630575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.630575 (E_RNA)
where:
Base-Base interactions energy: -366.191
where: short stacking energy: -167.590
Base-Backbone interact. energy: -1.351
local terms energy: -172.089350
where:
bonds (distance) C4'-P energy: -31.579
bonds (distance) P-C4' energy: -41.494
flat angles C4'-P-C4' energy: -34.003
flat angles P-C4'-P energy: -26.107
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: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -544.450958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.450958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.450958 (E_RNA)
where:
Base-Base interactions energy: -357.056
where: short stacking energy: -169.987
Base-Backbone interact. energy: -0.709
local terms energy: -186.686117
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -32.950
flat angles C4'-P-C4' energy: -42.153
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -50.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -532.630116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.630116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.630116 (E_RNA)
where:
Base-Base interactions energy: -355.034
where: short stacking energy: -156.626
Base-Backbone interact. energy: 3.619
local terms energy: -181.215213
where:
bonds (distance) C4'-P energy: -31.754
bonds (distance) P-C4' energy: -44.661
flat angles C4'-P-C4' energy: -38.588
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -40.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -444.845863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.845863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.845863 (E_RNA)
where:
Base-Base interactions energy: -284.617
where: short stacking energy: -140.704
Base-Backbone interact. energy: -1.440
local terms energy: -158.788737
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -32.276
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: -33.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -328.809366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.809366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.809366 (E_RNA)
where:
Base-Base interactions energy: -197.248
where: short stacking energy: -84.029
Base-Backbone interact. energy: 0.004
local terms energy: -131.565427
where:
bonds (distance) C4'-P energy: -35.822
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -37.436
flat angles P-C4'-P energy: -20.092
tors. eta vs tors. theta energy: -8.284
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: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -278.240469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.240469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.240469 (E_RNA)
where:
Base-Base interactions energy: -165.319
where: short stacking energy: -70.059
Base-Backbone interact. energy: -1.982
local terms energy: -110.938984
where:
bonds (distance) C4'-P energy: -28.781
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -13.064
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: 68
Temperature: 1.300000
Total energy: -274.606888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.606888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.606888 (E_RNA)
where:
Base-Base interactions energy: -144.633
where: short stacking energy: -84.434
Base-Backbone interact. energy: -0.686
local terms energy: -129.288425
where:
bonds (distance) C4'-P energy: -34.371
bonds (distance) P-C4' energy: -30.074
flat angles C4'-P-C4' energy: -31.112
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -12.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -177.588617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.588617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.588617 (E_RNA)
where:
Base-Base interactions energy: -74.835
where: short stacking energy: -48.588
Base-Backbone interact. energy: -0.703
local terms energy: -102.050509
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -40.985
flat angles C4'-P-C4' energy: -28.462
flat angles P-C4'-P energy: -12.807
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: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -634.927202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.927202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.927202 (E_RNA)
where:
Base-Base interactions energy: -431.482
where: short stacking energy: -182.638
Base-Backbone interact. energy: -0.914
local terms energy: -202.531427
where:
bonds (distance) C4'-P energy: -35.776
bonds (distance) P-C4' energy: -45.232
flat angles C4'-P-C4' energy: -43.525
flat angles P-C4'-P energy: -28.677
tors. eta vs tors. theta energy: -49.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -591.748920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.748920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.748920 (E_RNA)
where:
Base-Base interactions energy: -385.799
where: short stacking energy: -166.631
Base-Backbone interact. energy: -1.083
local terms energy: -204.867127
where:
bonds (distance) C4'-P energy: -40.391
bonds (distance) P-C4' energy: -41.566
flat angles C4'-P-C4' energy: -41.454
flat angles P-C4'-P energy: -31.392
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: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -552.956255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.956255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.956255 (E_RNA)
where:
Base-Base interactions energy: -373.358
where: short stacking energy: -153.205
Base-Backbone interact. energy: -0.407
local terms energy: -179.191945
where:
bonds (distance) C4'-P energy: -38.631
bonds (distance) P-C4' energy: -36.725
flat angles C4'-P-C4' energy: -35.447
flat angles P-C4'-P energy: -26.144
tors. eta vs tors. theta energy: -42.245
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: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -548.141584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.141584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.141584 (E_RNA)
where:
Base-Base interactions energy: -369.071
where: short stacking energy: -164.167
Base-Backbone interact. energy: -1.604
local terms energy: -177.467138
where:
bonds (distance) C4'-P energy: -33.474
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -48.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -517.771792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.771792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.771792 (E_RNA)
where:
Base-Base interactions energy: -340.420
where: short stacking energy: -156.025
Base-Backbone interact. energy: -0.435
local terms energy: -176.916275
where:
bonds (distance) C4'-P energy: -37.587
bonds (distance) P-C4' energy: -27.637
flat angles C4'-P-C4' energy: -38.264
flat angles P-C4'-P energy: -27.913
tors. eta vs tors. theta energy: -45.515
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: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -476.491924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.491924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.491924 (E_RNA)
where:
Base-Base interactions energy: -297.064
where: short stacking energy: -145.721
Base-Backbone interact. energy: -0.969
local terms energy: -178.458852
where:
bonds (distance) C4'-P energy: -33.225
bonds (distance) P-C4' energy: -41.365
flat angles C4'-P-C4' energy: -39.188
flat angles P-C4'-P energy: -24.303
tors. eta vs tors. theta energy: -40.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -307.069651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.069651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.069651 (E_RNA)
where:
Base-Base interactions energy: -183.911
where: short stacking energy: -107.107
Base-Backbone interact. energy: 2.017
local terms energy: -125.176551
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -34.518
flat angles C4'-P-C4' energy: -27.960
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -18.870
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: 69
Temperature: 1.250000
Total energy: -330.787838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.787838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.787838 (E_RNA)
where:
Base-Base interactions energy: -189.624
where: short stacking energy: -101.294
Base-Backbone interact. energy: -0.390
local terms energy: -140.773974
where:
bonds (distance) C4'-P energy: -29.022
bonds (distance) P-C4' energy: -37.493
flat angles C4'-P-C4' energy: -34.715
flat angles P-C4'-P energy: -26.884
tors. eta vs tors. theta energy: -12.660
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: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -251.727600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.727600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.727600 (E_RNA)
where:
Base-Base interactions energy: -137.458
where: short stacking energy: -72.336
Base-Backbone interact. energy: 2.152
local terms energy: -116.420891
where:
bonds (distance) C4'-P energy: -33.960
bonds (distance) P-C4' energy: -29.195
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: -0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -165.620958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.620958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.620958 (E_RNA)
where:
Base-Base interactions energy: -50.392
where: short stacking energy: -47.266
Base-Backbone interact. energy: 1.261
local terms energy: -116.489291
where:
bonds (distance) C4'-P energy: -36.020
bonds (distance) P-C4' energy: -34.945
flat angles C4'-P-C4' energy: -31.345
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: 6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -639.962275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.962275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.962275 (E_RNA)
where:
Base-Base interactions energy: -440.929
where: short stacking energy: -193.118
Base-Backbone interact. energy: -1.186
local terms energy: -197.847191
where:
bonds (distance) C4'-P energy: -32.880
bonds (distance) P-C4' energy: -35.798
flat angles C4'-P-C4' energy: -42.350
flat angles P-C4'-P energy: -33.851
tors. eta vs tors. theta energy: -52.968
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: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -586.474072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.474072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.474072 (E_RNA)
where:
Base-Base interactions energy: -390.775
where: short stacking energy: -175.350
Base-Backbone interact. energy: -1.221
local terms energy: -194.477727
where:
bonds (distance) C4'-P energy: -42.321
bonds (distance) P-C4' energy: -42.192
flat angles C4'-P-C4' energy: -40.374
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: -49.922
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: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -557.361644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.361644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.361644 (E_RNA)
where:
Base-Base interactions energy: -371.914
where: short stacking energy: -161.493
Base-Backbone interact. energy: 0.304
local terms energy: -185.751333
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -39.354
flat angles C4'-P-C4' energy: -38.722
flat angles P-C4'-P energy: -27.986
tors. eta vs tors. theta energy: -40.274
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: 70
Temperature: 1.050000
Total energy: -543.372915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.372915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.372915 (E_RNA)
where:
Base-Base interactions energy: -367.387
where: short stacking energy: -166.635
Base-Backbone interact. energy: -2.042
local terms energy: -173.943994
where:
bonds (distance) C4'-P energy: -38.613
bonds (distance) P-C4' energy: -40.523
flat angles C4'-P-C4' energy: -26.915
flat angles P-C4'-P energy: -24.209
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: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -530.258078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.258078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.258078 (E_RNA)
where:
Base-Base interactions energy: -345.577
where: short stacking energy: -156.637
Base-Backbone interact. energy: -0.024
local terms energy: -184.656605
where:
bonds (distance) C4'-P energy: -30.539
bonds (distance) P-C4' energy: -37.477
flat angles C4'-P-C4' energy: -39.956
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -51.259
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: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -441.963236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.963236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.963236 (E_RNA)
where:
Base-Base interactions energy: -285.534
where: short stacking energy: -138.403
Base-Backbone interact. energy: -0.415
local terms energy: -156.013871
where:
bonds (distance) C4'-P energy: -35.886
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -39.126
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -33.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -348.492535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.492535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.492535 (E_RNA)
where:
Base-Base interactions energy: -212.785
where: short stacking energy: -96.007
Base-Backbone interact. energy: -0.436
local terms energy: -135.272001
where:
bonds (distance) C4'-P energy: -39.319
bonds (distance) P-C4' energy: -37.974
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -29.422
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -305.667607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.667607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.667607 (E_RNA)
where:
Base-Base interactions energy: -170.896
where: short stacking energy: -94.092
Base-Backbone interact. energy: 1.040
local terms energy: -135.811638
where:
bonds (distance) C4'-P energy: -29.386
bonds (distance) P-C4' energy: -34.769
flat angles C4'-P-C4' energy: -35.008
flat angles P-C4'-P energy: -23.251
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -264.192408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.192408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.192408 (E_RNA)
where:
Base-Base interactions energy: -139.040
where: short stacking energy: -76.795
Base-Backbone interact. energy: -1.219
local terms energy: -123.933148
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -39.975
flat angles C4'-P-C4' energy: -37.726
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -8.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -168.574775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.574775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.574775 (E_RNA)
where:
Base-Base interactions energy: -60.091
where: short stacking energy: -56.453
Base-Backbone interact. energy: 5.190
local terms energy: -113.673826
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -35.106
flat angles C4'-P-C4' energy: -33.447
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -3.070
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: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -627.901134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.901134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.901134 (E_RNA)
where:
Base-Base interactions energy: -436.399
where: short stacking energy: -184.400
Base-Backbone interact. energy: -1.617
local terms energy: -189.885309
where:
bonds (distance) C4'-P energy: -33.959
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -42.098
flat angles P-C4'-P energy: -29.777
tors. eta vs tors. theta energy: -46.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -575.321776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.321776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.321776 (E_RNA)
where:
Base-Base interactions energy: -391.485
where: short stacking energy: -159.158
Base-Backbone interact. energy: -2.233
local terms energy: -181.603800
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -39.950
flat angles P-C4'-P energy: -27.120
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: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -564.568543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.568543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.568543 (E_RNA)
where:
Base-Base interactions energy: -372.985
where: short stacking energy: -168.099
Base-Backbone interact. energy: 0.513
local terms energy: -192.095703
where:
bonds (distance) C4'-P energy: -39.991
bonds (distance) P-C4' energy: -38.165
flat angles C4'-P-C4' energy: -41.385
flat angles P-C4'-P energy: -25.987
tors. eta vs tors. theta energy: -46.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -533.979929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.979929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.979929 (E_RNA)
where:
Base-Base interactions energy: -352.093
where: short stacking energy: -176.097
Base-Backbone interact. energy: -0.780
local terms energy: -181.106894
where:
bonds (distance) C4'-P energy: -40.719
bonds (distance) P-C4' energy: -33.520
flat angles C4'-P-C4' energy: -32.447
flat angles P-C4'-P energy: -27.233
tors. eta vs tors. theta energy: -47.188
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: 71
Temperature: 1.100000
Total energy: -507.251540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.251540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.251540 (E_RNA)
where:
Base-Base interactions energy: -328.430
where: short stacking energy: -162.985
Base-Backbone interact. energy: -0.712
local terms energy: -178.109848
where:
bonds (distance) C4'-P energy: -29.996
bonds (distance) P-C4' energy: -33.398
flat angles C4'-P-C4' energy: -41.851
flat angles P-C4'-P energy: -24.430
tors. eta vs tors. theta energy: -48.435
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: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -455.283280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.283280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.283280 (E_RNA)
where:
Base-Base interactions energy: -294.125
where: short stacking energy: -143.756
Base-Backbone interact. energy: -0.225
local terms energy: -160.933174
where:
bonds (distance) C4'-P energy: -27.763
bonds (distance) P-C4' energy: -31.382
flat angles C4'-P-C4' energy: -37.085
flat angles P-C4'-P energy: -21.434
tors. eta vs tors. theta energy: -43.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -346.979483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.979483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.979483 (E_RNA)
where:
Base-Base interactions energy: -220.145
where: short stacking energy: -109.501
Base-Backbone interact. energy: 4.605
local terms energy: -131.439277
where:
bonds (distance) C4'-P energy: -34.475
bonds (distance) P-C4' energy: -36.730
flat angles C4'-P-C4' energy: -25.074
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -13.986
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: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -252.046060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.046060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.046060 (E_RNA)
where:
Base-Base interactions energy: -132.211
where: short stacking energy: -75.833
Base-Backbone interact. energy: -0.743
local terms energy: -119.092129
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -33.017
flat angles C4'-P-C4' energy: -32.222
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -257.124138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.124138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.124138 (E_RNA)
where:
Base-Base interactions energy: -122.437
where: short stacking energy: -63.940
Base-Backbone interact. energy: 2.114
local terms energy: -136.801182
where:
bonds (distance) C4'-P energy: -38.951
bonds (distance) P-C4' energy: -39.834
flat angles C4'-P-C4' energy: -27.131
flat angles P-C4'-P energy: -18.571
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: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -177.449532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.449532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.449532 (E_RNA)
where:
Base-Base interactions energy: -68.238
where: short stacking energy: -54.430
Base-Backbone interact. energy: 0.994
local terms energy: -110.205269
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -31.352
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: 1.040
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: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -628.575918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.575918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.575918 (E_RNA)
where:
Base-Base interactions energy: -425.643
where: short stacking energy: -186.398
Base-Backbone interact. energy: -1.014
local terms energy: -201.919832
where:
bonds (distance) C4'-P energy: -37.142
bonds (distance) P-C4' energy: -38.855
flat angles C4'-P-C4' energy: -45.108
flat angles P-C4'-P energy: -24.787
tors. eta vs tors. theta energy: -56.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -579.105155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.105155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.105155 (E_RNA)
where:
Base-Base interactions energy: -390.219
where: short stacking energy: -158.506
Base-Backbone interact. energy: -0.752
local terms energy: -188.134054
where:
bonds (distance) C4'-P energy: -37.567
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -42.273
flat angles P-C4'-P energy: -26.999
tors. eta vs tors. theta energy: -44.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -554.151278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.151278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.151278 (E_RNA)
where:
Base-Base interactions energy: -369.528
where: short stacking energy: -162.570
Base-Backbone interact. energy: -0.303
local terms energy: -184.320118
where:
bonds (distance) C4'-P energy: -35.819
bonds (distance) P-C4' energy: -42.583
flat angles C4'-P-C4' energy: -40.152
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -40.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -539.150895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.150895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.150895 (E_RNA)
where:
Base-Base interactions energy: -346.294
where: short stacking energy: -152.166
Base-Backbone interact. energy: -3.914
local terms energy: -188.942674
where:
bonds (distance) C4'-P energy: -40.793
bonds (distance) P-C4' energy: -38.760
flat angles C4'-P-C4' energy: -41.244
flat angles P-C4'-P energy: -28.254
tors. eta vs tors. theta energy: -39.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -504.800634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.800634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.800634 (E_RNA)
where:
Base-Base interactions energy: -330.353
where: short stacking energy: -144.129
Base-Backbone interact. energy: 1.214
local terms energy: -175.661565
where:
bonds (distance) C4'-P energy: -32.191
bonds (distance) P-C4' energy: -36.881
flat angles C4'-P-C4' energy: -41.942
flat angles P-C4'-P energy: -26.638
tors. eta vs tors. theta energy: -38.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -454.071120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.071120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.071120 (E_RNA)
where:
Base-Base interactions energy: -291.542
where: short stacking energy: -140.864
Base-Backbone interact. energy: -0.127
local terms energy: -162.401719
where:
bonds (distance) C4'-P energy: -35.927
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -43.017
flat angles P-C4'-P energy: -19.987
tors. eta vs tors. theta energy: -32.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -332.873040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.873040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.873040 (E_RNA)
where:
Base-Base interactions energy: -202.348
where: short stacking energy: -91.581
Base-Backbone interact. energy: -1.803
local terms energy: -128.721585
where:
bonds (distance) C4'-P energy: -33.310
bonds (distance) P-C4' energy: -40.232
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: 0.392
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: 72
Temperature: 1.250000
Total energy: -268.949968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.949968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.949968 (E_RNA)
where:
Base-Base interactions energy: -135.137
where: short stacking energy: -82.793
Base-Backbone interact. energy: -0.863
local terms energy: -132.950108
where:
bonds (distance) C4'-P energy: -33.252
bonds (distance) P-C4' energy: -32.172
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -24.610
tors. eta vs tors. theta energy: -12.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -250.027754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.027754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.027754 (E_RNA)
where:
Base-Base interactions energy: -145.129
where: short stacking energy: -57.677
Base-Backbone interact. energy: -1.776
local terms energy: -103.122690
where:
bonds (distance) C4'-P energy: -34.379
bonds (distance) P-C4' energy: -24.693
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: 1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -180.108702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.108702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.108702 (E_RNA)
where:
Base-Base interactions energy: -75.928
where: short stacking energy: -60.535
Base-Backbone interact. energy: -0.851
local terms energy: -103.329646
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -28.999
flat angles P-C4'-P energy: -11.506
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: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -626.341835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.341835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.341835 (E_RNA)
where:
Base-Base interactions energy: -427.045
where: short stacking energy: -177.696
Base-Backbone interact. energy: -1.371
local terms energy: -197.925989
where:
bonds (distance) C4'-P energy: -37.726
bonds (distance) P-C4' energy: -36.407
flat angles C4'-P-C4' energy: -44.582
flat angles P-C4'-P energy: -32.212
tors. eta vs tors. theta energy: -46.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -599.354984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.354984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.354984 (E_RNA)
where:
Base-Base interactions energy: -404.831
where: short stacking energy: -176.086
Base-Backbone interact. energy: -0.158
local terms energy: -194.365075
where:
bonds (distance) C4'-P energy: -42.786
bonds (distance) P-C4' energy: -38.451
flat angles C4'-P-C4' energy: -40.298
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -52.763
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: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -540.721590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.721590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.721590 (E_RNA)
where:
Base-Base interactions energy: -369.515
where: short stacking energy: -158.313
Base-Backbone interact. energy: -0.550
local terms energy: -170.655742
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -42.332
flat angles C4'-P-C4' energy: -39.015
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -40.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -543.175290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.175290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.175290 (E_RNA)
where:
Base-Base interactions energy: -370.413
where: short stacking energy: -150.776
Base-Backbone interact. energy: -3.560
local terms energy: -169.202378
where:
bonds (distance) C4'-P energy: -34.144
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -36.651
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -44.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -516.784457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.784457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.784457 (E_RNA)
where:
Base-Base interactions energy: -340.525
where: short stacking energy: -163.235
Base-Backbone interact. energy: -0.405
local terms energy: -175.854547
where:
bonds (distance) C4'-P energy: -32.774
bonds (distance) P-C4' energy: -35.597
flat angles C4'-P-C4' energy: -39.139
flat angles P-C4'-P energy: -25.027
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: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -445.582481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.582481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.582481 (E_RNA)
where:
Base-Base interactions energy: -276.463
where: short stacking energy: -128.919
Base-Backbone interact. energy: 0.492
local terms energy: -169.611515
where:
bonds (distance) C4'-P energy: -34.600
bonds (distance) P-C4' energy: -38.534
flat angles C4'-P-C4' energy: -41.899
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -36.710
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: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -339.738660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.738660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.738660 (E_RNA)
where:
Base-Base interactions energy: -189.119
where: short stacking energy: -95.660
Base-Backbone interact. energy: 0.151
local terms energy: -150.770906
where:
bonds (distance) C4'-P energy: -35.295
bonds (distance) P-C4' energy: -45.846
flat angles C4'-P-C4' energy: -41.414
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -287.498425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.498425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.498425 (E_RNA)
where:
Base-Base interactions energy: -156.637
where: short stacking energy: -76.492
Base-Backbone interact. energy: -1.185
local terms energy: -129.677042
where:
bonds (distance) C4'-P energy: -39.491
bonds (distance) P-C4' energy: -44.511
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -264.572527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.572527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.572527 (E_RNA)
where:
Base-Base interactions energy: -137.113
where: short stacking energy: -81.108
Base-Backbone interact. energy: -0.137
local terms energy: -127.322711
where:
bonds (distance) C4'-P energy: -32.499
bonds (distance) P-C4' energy: -31.644
flat angles C4'-P-C4' energy: -31.952
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -17.393
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: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -180.196438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.196438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.196438 (E_RNA)
where:
Base-Base interactions energy: -54.031
where: short stacking energy: -41.036
Base-Backbone interact. energy: -0.831
local terms energy: -125.333860
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -41.299
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -27.927
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -644.562807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.562807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.562807 (E_RNA)
where:
Base-Base interactions energy: -439.422
where: short stacking energy: -192.997
Base-Backbone interact. energy: -1.286
local terms energy: -203.854262
where:
bonds (distance) C4'-P energy: -40.998
bonds (distance) P-C4' energy: -40.054
flat angles C4'-P-C4' energy: -40.582
flat angles P-C4'-P energy: -29.316
tors. eta vs tors. theta energy: -52.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -589.729890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.729890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.729890 (E_RNA)
where:
Base-Base interactions energy: -398.478
where: short stacking energy: -154.031
Base-Backbone interact. energy: -2.705
local terms energy: -188.546869
where:
bonds (distance) C4'-P energy: -42.132
bonds (distance) P-C4' energy: -40.135
flat angles C4'-P-C4' energy: -39.572
flat angles P-C4'-P energy: -29.470
tors. eta vs tors. theta energy: -37.238
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: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -561.978609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.978609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.978609 (E_RNA)
where:
Base-Base interactions energy: -370.306
where: short stacking energy: -165.138
Base-Backbone interact. energy: -1.325
local terms energy: -190.347136
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -40.375
flat angles C4'-P-C4' energy: -42.564
flat angles P-C4'-P energy: -26.664
tors. eta vs tors. theta energy: -46.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -524.148823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.148823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.148823 (E_RNA)
where:
Base-Base interactions energy: -337.834
where: short stacking energy: -154.182
Base-Backbone interact. energy: -0.141
local terms energy: -186.173961
where:
bonds (distance) C4'-P energy: -39.968
bonds (distance) P-C4' energy: -39.795
flat angles C4'-P-C4' energy: -39.276
flat angles P-C4'-P energy: -27.479
tors. eta vs tors. theta energy: -39.656
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: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -505.173825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.173825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.173825 (E_RNA)
where:
Base-Base interactions energy: -328.153
where: short stacking energy: -143.513
Base-Backbone interact. energy: -0.877
local terms energy: -176.143812
where:
bonds (distance) C4'-P energy: -31.161
bonds (distance) P-C4' energy: -38.097
flat angles C4'-P-C4' energy: -40.224
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -44.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -427.174699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.174699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.174699 (E_RNA)
where:
Base-Base interactions energy: -275.099
where: short stacking energy: -137.434
Base-Backbone interact. energy: -0.108
local terms energy: -151.967927
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -34.870
flat angles C4'-P-C4' energy: -38.978
flat angles P-C4'-P energy: -15.824
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: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -343.643454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.643454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.643454 (E_RNA)
where:
Base-Base interactions energy: -217.328
where: short stacking energy: -94.202
Base-Backbone interact. energy: -0.726
local terms energy: -125.589475
where:
bonds (distance) C4'-P energy: -31.572
bonds (distance) P-C4' energy: -33.439
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -18.974
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: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -293.448838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.448838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.448838 (E_RNA)
where:
Base-Base interactions energy: -150.487
where: short stacking energy: -90.313
Base-Backbone interact. energy: -0.320
local terms energy: -142.641704
where:
bonds (distance) C4'-P energy: -29.108
bonds (distance) P-C4' energy: -37.244
flat angles C4'-P-C4' energy: -33.883
flat angles P-C4'-P energy: -24.146
tors. eta vs tors. theta energy: -18.261
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: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -289.314323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.314323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.314323 (E_RNA)
where:
Base-Base interactions energy: -152.064
where: short stacking energy: -83.936
Base-Backbone interact. energy: -0.071
local terms energy: -137.178836
where:
bonds (distance) C4'-P energy: -32.600
bonds (distance) P-C4' energy: -38.411
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -15.644
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: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -177.335734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.335734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.335734 (E_RNA)
where:
Base-Base interactions energy: -81.792
where: short stacking energy: -52.411
Base-Backbone interact. energy: -0.571
local terms energy: -94.973375
where:
bonds (distance) C4'-P energy: -37.577
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: 4.271
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: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -636.334630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.334630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.334630 (E_RNA)
where:
Base-Base interactions energy: -441.650
where: short stacking energy: -190.002
Base-Backbone interact. energy: -0.249
local terms energy: -194.435240
where:
bonds (distance) C4'-P energy: -39.887
bonds (distance) P-C4' energy: -39.303
flat angles C4'-P-C4' energy: -38.987
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -49.973
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: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -595.680679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.680679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.680679 (E_RNA)
where:
Base-Base interactions energy: -404.324
where: short stacking energy: -164.511
Base-Backbone interact. energy: -0.055
local terms energy: -191.301996
where:
bonds (distance) C4'-P energy: -35.439
bonds (distance) P-C4' energy: -41.655
flat angles C4'-P-C4' energy: -43.071
flat angles P-C4'-P energy: -29.216
tors. eta vs tors. theta energy: -41.921
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: 75
Temperature: 1.000000
Total energy: -557.733410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.733410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.733410 (E_RNA)
where:
Base-Base interactions energy: -375.329
where: short stacking energy: -167.341
Base-Backbone interact. energy: -1.533
local terms energy: -180.871424
where:
bonds (distance) C4'-P energy: -40.946
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -40.954
flat angles P-C4'-P energy: -24.852
tors. eta vs tors. theta energy: -51.745
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: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -544.910599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.910599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.910599 (E_RNA)
where:
Base-Base interactions energy: -352.034
where: short stacking energy: -156.949
Base-Backbone interact. energy: -1.561
local terms energy: -191.316303
where:
bonds (distance) C4'-P energy: -37.276
bonds (distance) P-C4' energy: -39.550
flat angles C4'-P-C4' energy: -42.614
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -47.854
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: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -488.560513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.560513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.560513 (E_RNA)
where:
Base-Base interactions energy: -316.024
where: short stacking energy: -143.678
Base-Backbone interact. energy: 2.392
local terms energy: -174.928512
where:
bonds (distance) C4'-P energy: -34.570
bonds (distance) P-C4' energy: -35.493
flat angles C4'-P-C4' energy: -35.991
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -42.719
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: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -426.439584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.439584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.439584 (E_RNA)
where:
Base-Base interactions energy: -258.541
where: short stacking energy: -117.248
Base-Backbone interact. energy: -0.131
local terms energy: -167.767897
where:
bonds (distance) C4'-P energy: -35.884
bonds (distance) P-C4' energy: -41.020
flat angles C4'-P-C4' energy: -36.079
flat angles P-C4'-P energy: -26.722
tors. eta vs tors. theta energy: -28.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -335.331410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.331410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.331410 (E_RNA)
where:
Base-Base interactions energy: -190.597
where: short stacking energy: -93.496
Base-Backbone interact. energy: -1.454
local terms energy: -143.280089
where:
bonds (distance) C4'-P energy: -36.089
bonds (distance) P-C4' energy: -36.642
flat angles C4'-P-C4' energy: -37.705
flat angles P-C4'-P energy: -20.518
tors. eta vs tors. theta energy: -12.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -268.532537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.532537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.532537 (E_RNA)
where:
Base-Base interactions energy: -148.500
where: short stacking energy: -80.980
Base-Backbone interact. energy: 0.432
local terms energy: -120.464591
where:
bonds (distance) C4'-P energy: -38.811
bonds (distance) P-C4' energy: -24.941
flat angles C4'-P-C4' energy: -28.139
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -283.441018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.441018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.441018 (E_RNA)
where:
Base-Base interactions energy: -142.278
where: short stacking energy: -63.577
Base-Backbone interact. energy: -1.249
local terms energy: -139.913550
where:
bonds (distance) C4'-P energy: -35.550
bonds (distance) P-C4' energy: -41.202
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -8.717
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: 75
Temperature: 1.350000
Total energy: -175.135542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.135542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.135542 (E_RNA)
where:
Base-Base interactions energy: -64.572
where: short stacking energy: -34.531
Base-Backbone interact. energy: -1.421
local terms energy: -109.143222
where:
bonds (distance) C4'-P energy: -34.338
bonds (distance) P-C4' energy: -37.740
flat angles C4'-P-C4' energy: -27.020
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: 15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -626.814776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.814776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.814776 (E_RNA)
where:
Base-Base interactions energy: -428.592
where: short stacking energy: -182.776
Base-Backbone interact. energy: -0.491
local terms energy: -197.731507
where:
bonds (distance) C4'-P energy: -38.821
bonds (distance) P-C4' energy: -35.032
flat angles C4'-P-C4' energy: -45.637
flat angles P-C4'-P energy: -27.145
tors. eta vs tors. theta energy: -51.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -584.786071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.786071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.786071 (E_RNA)
where:
Base-Base interactions energy: -402.376
where: short stacking energy: -169.342
Base-Backbone interact. energy: -0.465
local terms energy: -181.945798
where:
bonds (distance) C4'-P energy: -31.183
bonds (distance) P-C4' energy: -41.598
flat angles C4'-P-C4' energy: -46.056
flat angles P-C4'-P energy: -24.289
tors. eta vs tors. theta energy: -38.820
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: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -561.572227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.572227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.572227 (E_RNA)
where:
Base-Base interactions energy: -370.503
where: short stacking energy: -174.083
Base-Backbone interact. energy: -0.033
local terms energy: -191.036769
where:
bonds (distance) C4'-P energy: -37.446
bonds (distance) P-C4' energy: -35.615
flat angles C4'-P-C4' energy: -44.522
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: -45.140
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: 76
Temperature: 1.050000
Total energy: -556.579257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.579257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.579257 (E_RNA)
where:
Base-Base interactions energy: -373.443
where: short stacking energy: -176.786
Base-Backbone interact. energy: -0.702
local terms energy: -182.434664
where:
bonds (distance) C4'-P energy: -33.362
bonds (distance) P-C4' energy: -30.965
flat angles C4'-P-C4' energy: -44.996
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -51.436
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: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -499.099142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.099142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.099142 (E_RNA)
where:
Base-Base interactions energy: -330.666
where: short stacking energy: -148.224
Base-Backbone interact. energy: -0.650
local terms energy: -167.783460
where:
bonds (distance) C4'-P energy: -38.638
bonds (distance) P-C4' energy: -31.378
flat angles C4'-P-C4' energy: -40.489
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -37.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -440.304087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.304087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.304087 (E_RNA)
where:
Base-Base interactions energy: -275.638
where: short stacking energy: -130.115
Base-Backbone interact. energy: -0.651
local terms energy: -164.014997
where:
bonds (distance) C4'-P energy: -38.362
bonds (distance) P-C4' energy: -33.905
flat angles C4'-P-C4' energy: -33.926
flat angles P-C4'-P energy: -28.380
tors. eta vs tors. theta energy: -29.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -314.212597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.212597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.212597 (E_RNA)
where:
Base-Base interactions energy: -176.854
where: short stacking energy: -87.447
Base-Backbone interact. energy: -0.215
local terms energy: -137.144146
where:
bonds (distance) C4'-P energy: -40.776
bonds (distance) P-C4' energy: -36.594
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -283.068619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.068619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.068619 (E_RNA)
where:
Base-Base interactions energy: -148.876
where: short stacking energy: -82.992
Base-Backbone interact. energy: -1.553
local terms energy: -132.639506
where:
bonds (distance) C4'-P energy: -41.759
bonds (distance) P-C4' energy: -37.487
flat angles C4'-P-C4' energy: -37.227
flat angles P-C4'-P energy: -12.941
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: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -258.458518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.458518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.458518 (E_RNA)
where:
Base-Base interactions energy: -131.063
where: short stacking energy: -74.608
Base-Backbone interact. energy: -0.534
local terms energy: -126.862375
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -36.042
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -19.278
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -182.503135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.503135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.503135 (E_RNA)
where:
Base-Base interactions energy: -74.207
where: short stacking energy: -71.139
Base-Backbone interact. energy: -0.356
local terms energy: -107.940109
where:
bonds (distance) C4'-P energy: -35.701
bonds (distance) P-C4' energy: -32.367
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -5.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -640.985993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.985993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.985993 (E_RNA)
where:
Base-Base interactions energy: -452.813
where: short stacking energy: -195.908
Base-Backbone interact. energy: -1.432
local terms energy: -186.740913
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -37.809
flat angles C4'-P-C4' energy: -42.358
flat angles P-C4'-P energy: -31.533
tors. eta vs tors. theta energy: -51.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -567.119159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.119159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.119159 (E_RNA)
where:
Base-Base interactions energy: -392.973
where: short stacking energy: -167.797
Base-Backbone interact. energy: 0.301
local terms energy: -174.447546
where:
bonds (distance) C4'-P energy: -32.344
bonds (distance) P-C4' energy: -35.976
flat angles C4'-P-C4' energy: -39.836
flat angles P-C4'-P energy: -31.152
tors. eta vs tors. theta energy: -35.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -559.653522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.653522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.653522 (E_RNA)
where:
Base-Base interactions energy: -362.969
where: short stacking energy: -174.904
Base-Backbone interact. energy: -0.093
local terms energy: -196.590851
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -38.809
flat angles C4'-P-C4' energy: -36.595
flat angles P-C4'-P energy: -34.106
tors. eta vs tors. theta energy: -57.317
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: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -557.973636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.973636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.973636 (E_RNA)
where:
Base-Base interactions energy: -365.512
where: short stacking energy: -163.120
Base-Backbone interact. energy: -0.086
local terms energy: -192.375722
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -41.786
flat angles C4'-P-C4' energy: -44.767
flat angles P-C4'-P energy: -29.709
tors. eta vs tors. theta energy: -47.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -492.341582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.341582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.341582 (E_RNA)
where:
Base-Base interactions energy: -312.926
where: short stacking energy: -141.749
Base-Backbone interact. energy: -1.074
local terms energy: -178.342044
where:
bonds (distance) C4'-P energy: -37.012
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -43.683
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -43.897
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: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -429.761953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.761953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.761953 (E_RNA)
where:
Base-Base interactions energy: -270.474
where: short stacking energy: -127.808
Base-Backbone interact. energy: 0.780
local terms energy: -160.067513
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -40.750
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -26.879
tors. eta vs tors. theta energy: -27.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -336.407563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.407563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.407563 (E_RNA)
where:
Base-Base interactions energy: -193.351
where: short stacking energy: -100.468
Base-Backbone interact. energy: 0.427
local terms energy: -143.483092
where:
bonds (distance) C4'-P energy: -36.019
bonds (distance) P-C4' energy: -36.957
flat angles C4'-P-C4' energy: -36.777
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -292.690198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.690198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.690198 (E_RNA)
where:
Base-Base interactions energy: -153.533
where: short stacking energy: -98.775
Base-Backbone interact. energy: -0.324
local terms energy: -138.833642
where:
bonds (distance) C4'-P energy: -34.041
bonds (distance) P-C4' energy: -30.859
flat angles C4'-P-C4' energy: -39.380
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -257.935038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.935038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.935038 (E_RNA)
where:
Base-Base interactions energy: -151.591
where: short stacking energy: -77.741
Base-Backbone interact. energy: 0.414
local terms energy: -106.758308
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -30.540
flat angles C4'-P-C4' energy: -29.326
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: 0.225
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: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -179.072753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.072753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.072753 (E_RNA)
where:
Base-Base interactions energy: -75.006
where: short stacking energy: -58.736
Base-Backbone interact. energy: 1.153
local terms energy: -105.219708
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -33.490
flat angles C4'-P-C4' energy: -28.030
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -3.763
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: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -632.739220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.739220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.739220 (E_RNA)
where:
Base-Base interactions energy: -431.012
where: short stacking energy: -177.813
Base-Backbone interact. energy: -1.692
local terms energy: -200.035157
where:
bonds (distance) C4'-P energy: -43.261
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -38.704
flat angles P-C4'-P energy: -25.979
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: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -589.399000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.399000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.399000 (E_RNA)
where:
Base-Base interactions energy: -402.636
where: short stacking energy: -173.282
Base-Backbone interact. energy: -1.937
local terms energy: -184.826618
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -41.097
flat angles C4'-P-C4' energy: -42.972
flat angles P-C4'-P energy: -26.145
tors. eta vs tors. theta energy: -43.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -552.766765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.766765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.766765 (E_RNA)
where:
Base-Base interactions energy: -364.102
where: short stacking energy: -174.172
Base-Backbone interact. energy: -0.109
local terms energy: -188.555240
where:
bonds (distance) C4'-P energy: -39.229
bonds (distance) P-C4' energy: -37.514
flat angles C4'-P-C4' energy: -39.406
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -39.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -589.632790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.632790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.632790 (E_RNA)
where:
Base-Base interactions energy: -398.359
where: short stacking energy: -156.554
Base-Backbone interact. energy: 0.777
local terms energy: -192.050674
where:
bonds (distance) C4'-P energy: -35.481
bonds (distance) P-C4' energy: -33.901
flat angles C4'-P-C4' energy: -43.575
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -48.438
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: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -504.986788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.986788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.986788 (E_RNA)
where:
Base-Base interactions energy: -333.620
where: short stacking energy: -155.057
Base-Backbone interact. energy: -0.235
local terms energy: -171.131883
where:
bonds (distance) C4'-P energy: -31.726
bonds (distance) P-C4' energy: -37.370
flat angles C4'-P-C4' energy: -29.367
flat angles P-C4'-P energy: -28.471
tors. eta vs tors. theta energy: -44.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -446.434463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.434463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.434463 (E_RNA)
where:
Base-Base interactions energy: -272.946
where: short stacking energy: -136.241
Base-Backbone interact. energy: -0.291
local terms energy: -173.197952
where:
bonds (distance) C4'-P energy: -32.577
bonds (distance) P-C4' energy: -36.768
flat angles C4'-P-C4' energy: -39.083
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -41.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -336.371737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.371737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.371737 (E_RNA)
where:
Base-Base interactions energy: -223.523
where: short stacking energy: -100.441
Base-Backbone interact. energy: -1.205
local terms energy: -111.643879
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -28.886
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -281.020504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.020504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.020504 (E_RNA)
where:
Base-Base interactions energy: -159.456
where: short stacking energy: -86.367
Base-Backbone interact. energy: -0.878
local terms energy: -120.685740
where:
bonds (distance) C4'-P energy: -36.421
bonds (distance) P-C4' energy: -34.081
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -297.506764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.506764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.506764 (E_RNA)
where:
Base-Base interactions energy: -173.585
where: short stacking energy: -98.110
Base-Backbone interact. energy: 0.430
local terms energy: -124.351646
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -38.088
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -15.541
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: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -172.774916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.774916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.774916 (E_RNA)
where:
Base-Base interactions energy: -55.269
where: short stacking energy: -48.294
Base-Backbone interact. energy: -0.579
local terms energy: -116.926593
where:
bonds (distance) C4'-P energy: -28.119
bonds (distance) P-C4' energy: -29.283
flat angles C4'-P-C4' energy: -33.823
flat angles P-C4'-P energy: -26.767
tors. eta vs tors. theta energy: 1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -639.225597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.225597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.225597 (E_RNA)
where:
Base-Base interactions energy: -441.329
where: short stacking energy: -196.596
Base-Backbone interact. energy: -0.124
local terms energy: -197.772405
where:
bonds (distance) C4'-P energy: -33.696
bonds (distance) P-C4' energy: -40.727
flat angles C4'-P-C4' energy: -43.236
flat angles P-C4'-P energy: -27.525
tors. eta vs tors. theta energy: -52.588
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: 2, replica: 9
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -588.033386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.033386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.033386 (E_RNA)
where:
Base-Base interactions energy: -401.226
where: short stacking energy: -164.859
Base-Backbone interact. energy: -1.312
local terms energy: -185.495051
where:
bonds (distance) C4'-P energy: -36.775
bonds (distance) P-C4' energy: -38.388
flat angles C4'-P-C4' energy: -45.788
flat angles P-C4'-P energy: -28.742
tors. eta vs tors. theta energy: -35.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -545.332697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.332697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.332697 (E_RNA)
where:
Base-Base interactions energy: -348.317
where: short stacking energy: -160.570
Base-Backbone interact. energy: -0.255
local terms energy: -196.760822
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -45.490
flat angles C4'-P-C4' energy: -40.173
flat angles P-C4'-P energy: -29.841
tors. eta vs tors. theta energy: -42.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -580.359361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.359361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.359361 (E_RNA)
where:
Base-Base interactions energy: -391.072
where: short stacking energy: -153.892
Base-Backbone interact. energy: -1.111
local terms energy: -188.177126
where:
bonds (distance) C4'-P energy: -36.369
bonds (distance) P-C4' energy: -33.741
flat angles C4'-P-C4' energy: -44.737
flat angles P-C4'-P energy: -24.950
tors. eta vs tors. theta energy: -48.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -511.761489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.761489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.761489 (E_RNA)
where:
Base-Base interactions energy: -332.435
where: short stacking energy: -146.058
Base-Backbone interact. energy: -0.636
local terms energy: -178.690012
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -35.009
flat angles C4'-P-C4' energy: -41.387
flat angles P-C4'-P energy: -28.056
tors. eta vs tors. theta energy: -38.221
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: 79
Temperature: 1.150000
Total energy: -451.217380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.217380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.217380 (E_RNA)
where:
Base-Base interactions energy: -278.454
where: short stacking energy: -129.792
Base-Backbone interact. energy: -0.323
local terms energy: -172.440457
where:
bonds (distance) C4'-P energy: -33.036
bonds (distance) P-C4' energy: -39.726
flat angles C4'-P-C4' energy: -35.322
flat angles P-C4'-P energy: -26.750
tors. eta vs tors. theta energy: -37.608
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: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -355.999734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.999734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.999734 (E_RNA)
where:
Base-Base interactions energy: -204.344
where: short stacking energy: -108.057
Base-Backbone interact. energy: -0.386
local terms energy: -151.269912
where:
bonds (distance) C4'-P energy: -37.625
bonds (distance) P-C4' energy: -42.248
flat angles C4'-P-C4' energy: -29.784
flat angles P-C4'-P energy: -27.915
tors. eta vs tors. theta energy: -13.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -294.592970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.592970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.592970 (E_RNA)
where:
Base-Base interactions energy: -156.586
where: short stacking energy: -79.415
Base-Backbone interact. energy: -0.634
local terms energy: -137.373198
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -37.960
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -16.527
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: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -278.485664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.485664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.485664 (E_RNA)
where:
Base-Base interactions energy: -156.034
where: short stacking energy: -73.213
Base-Backbone interact. energy: -0.584
local terms energy: -121.867232
where:
bonds (distance) C4'-P energy: -30.393
bonds (distance) P-C4' energy: -34.763
flat angles C4'-P-C4' energy: -28.124
flat angles P-C4'-P energy: -26.686
tors. eta vs tors. theta energy: -1.902
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: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -175.331060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.331060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.331060 (E_RNA)
where:
Base-Base interactions energy: -46.972
where: short stacking energy: -44.031
Base-Backbone interact. energy: 0.613
local terms energy: -128.972192
where:
bonds (distance) C4'-P energy: -33.806
bonds (distance) P-C4' energy: -40.220
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -20.740
tors. eta vs tors. theta energy: -3.079
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: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -653.257859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.257859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.257859 (E_RNA)
where:
Base-Base interactions energy: -457.864
where: short stacking energy: -198.267
Base-Backbone interact. energy: -1.538
local terms energy: -193.856090
where:
bonds (distance) C4'-P energy: -34.711
bonds (distance) P-C4' energy: -35.078
flat angles C4'-P-C4' energy: -42.924
flat angles P-C4'-P energy: -25.486
tors. eta vs tors. theta energy: -55.657
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: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -599.644787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.644787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.644787 (E_RNA)
where:
Base-Base interactions energy: -413.561
where: short stacking energy: -166.998
Base-Backbone interact. energy: 0.216
local terms energy: -186.299999
where:
bonds (distance) C4'-P energy: -39.849
bonds (distance) P-C4' energy: -33.372
flat angles C4'-P-C4' energy: -40.538
flat angles P-C4'-P energy: -29.011
tors. eta vs tors. theta energy: -43.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -583.641744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.641744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.641744 (E_RNA)
where:
Base-Base interactions energy: -405.260
where: short stacking energy: -157.559
Base-Backbone interact. energy: -0.173
local terms energy: -178.208344
where:
bonds (distance) C4'-P energy: -35.294
bonds (distance) P-C4' energy: -26.661
flat angles C4'-P-C4' energy: -39.311
flat angles P-C4'-P energy: -27.563
tors. eta vs tors. theta energy: -49.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -538.157382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.157382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.157382 (E_RNA)
where:
Base-Base interactions energy: -362.296
where: short stacking energy: -165.678
Base-Backbone interact. energy: 0.492
local terms energy: -176.353397
where:
bonds (distance) C4'-P energy: -32.149
bonds (distance) P-C4' energy: -37.553
flat angles C4'-P-C4' energy: -41.121
flat angles P-C4'-P energy: -26.741
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: 80
Temperature: 1.100000
Total energy: -505.759744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.759744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.759744 (E_RNA)
where:
Base-Base interactions energy: -328.616
where: short stacking energy: -150.087
Base-Backbone interact. energy: 1.539
local terms energy: -178.682990
where:
bonds (distance) C4'-P energy: -38.372
bonds (distance) P-C4' energy: -37.788
flat angles C4'-P-C4' energy: -40.330
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -38.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -456.334442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.334442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.334442 (E_RNA)
where:
Base-Base interactions energy: -287.324
where: short stacking energy: -132.834
Base-Backbone interact. energy: 1.530
local terms energy: -170.540311
where:
bonds (distance) C4'-P energy: -33.488
bonds (distance) P-C4' energy: -41.929
flat angles C4'-P-C4' energy: -41.154
flat angles P-C4'-P energy: -26.703
tors. eta vs tors. theta energy: -27.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -299.312119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.312119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.312119 (E_RNA)
where:
Base-Base interactions energy: -169.609
where: short stacking energy: -82.588
Base-Backbone interact. energy: -0.259
local terms energy: -129.443939
where:
bonds (distance) C4'-P energy: -34.662
bonds (distance) P-C4' energy: -32.788
flat angles C4'-P-C4' energy: -36.686
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -8.188
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: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -328.907928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.907928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.907928 (E_RNA)
where:
Base-Base interactions energy: -187.274
where: short stacking energy: -89.735
Base-Backbone interact. energy: -0.429
local terms energy: -141.204939
where:
bonds (distance) C4'-P energy: -31.740
bonds (distance) P-C4' energy: -39.449
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -13.884
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: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -254.572460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.572460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.572460 (E_RNA)
where:
Base-Base interactions energy: -146.925
where: short stacking energy: -85.436
Base-Backbone interact. energy: 5.561
local terms energy: -113.208072
where:
bonds (distance) C4'-P energy: -26.313
bonds (distance) P-C4' energy: -36.946
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -11.105
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: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -172.395795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.395795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.395795 (E_RNA)
where:
Base-Base interactions energy: -56.646
where: short stacking energy: -56.087
Base-Backbone interact. energy: -0.841
local terms energy: -114.909471
where:
bonds (distance) C4'-P energy: -26.763
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -641.437854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.437854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.437854 (E_RNA)
where:
Base-Base interactions energy: -453.220
where: short stacking energy: -189.266
Base-Backbone interact. energy: 2.382
local terms energy: -190.599793
where:
bonds (distance) C4'-P energy: -39.279
bonds (distance) P-C4' energy: -32.497
flat angles C4'-P-C4' energy: -39.533
flat angles P-C4'-P energy: -27.244
tors. eta vs tors. theta energy: -52.047
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: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -582.044697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.044697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.044697 (E_RNA)
where:
Base-Base interactions energy: -386.277
where: short stacking energy: -175.261
Base-Backbone interact. energy: -0.774
local terms energy: -194.994303
where:
bonds (distance) C4'-P energy: -40.123
bonds (distance) P-C4' energy: -38.194
flat angles C4'-P-C4' energy: -44.239
flat angles P-C4'-P energy: -27.285
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: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -582.565807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.565807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.565807 (E_RNA)
where:
Base-Base interactions energy: -397.270
where: short stacking energy: -172.350
Base-Backbone interact. energy: -2.050
local terms energy: -183.246284
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -39.784
flat angles C4'-P-C4' energy: -41.194
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -45.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -542.793524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.793524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.793524 (E_RNA)
where:
Base-Base interactions energy: -353.186
where: short stacking energy: -163.159
Base-Backbone interact. energy: -0.167
local terms energy: -189.439662
where:
bonds (distance) C4'-P energy: -25.238
bonds (distance) P-C4' energy: -42.228
flat angles C4'-P-C4' energy: -46.920
flat angles P-C4'-P energy: -32.017
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: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -464.580900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.580900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.580900 (E_RNA)
where:
Base-Base interactions energy: -315.928
where: short stacking energy: -144.876
Base-Backbone interact. energy: -1.338
local terms energy: -147.314565
where:
bonds (distance) C4'-P energy: -29.508
bonds (distance) P-C4' energy: -39.436
flat angles C4'-P-C4' energy: -35.996
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -32.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -442.405934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.405934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.405934 (E_RNA)
where:
Base-Base interactions energy: -280.522
where: short stacking energy: -143.945
Base-Backbone interact. energy: -0.334
local terms energy: -161.550308
where:
bonds (distance) C4'-P energy: -34.037
bonds (distance) P-C4' energy: -28.217
flat angles C4'-P-C4' energy: -38.261
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -43.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -297.497227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.497227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.497227 (E_RNA)
where:
Base-Base interactions energy: -149.533
where: short stacking energy: -91.695
Base-Backbone interact. energy: -0.576
local terms energy: -147.387970
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -37.493
flat angles C4'-P-C4' energy: -34.528
flat angles P-C4'-P energy: -22.057
tors. eta vs tors. theta energy: -17.618
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: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -272.708920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.708920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.708920 (E_RNA)
where:
Base-Base interactions energy: -143.746
where: short stacking energy: -78.241
Base-Backbone interact. energy: -0.387
local terms energy: -128.576003
where:
bonds (distance) C4'-P energy: -35.104
bonds (distance) P-C4' energy: -36.417
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -4.009
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: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -319.741087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.741087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.741087 (E_RNA)
where:
Base-Base interactions energy: -192.219
where: short stacking energy: -93.895
Base-Backbone interact. energy: 0.959
local terms energy: -128.481204
where:
bonds (distance) C4'-P energy: -27.872
bonds (distance) P-C4' energy: -31.845
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -16.440
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: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -180.030784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.030784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.030784 (E_RNA)
where:
Base-Base interactions energy: -65.726
where: short stacking energy: -51.549
Base-Backbone interact. energy: -1.293
local terms energy: -113.011557
where:
bonds (distance) C4'-P energy: -29.141
bonds (distance) P-C4' energy: -31.975
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -652.655440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.655440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.655440 (E_RNA)
where:
Base-Base interactions energy: -438.545
where: short stacking energy: -183.304
Base-Backbone interact. energy: -1.458
local terms energy: -212.652478
where:
bonds (distance) C4'-P energy: -41.584
bonds (distance) P-C4' energy: -41.784
flat angles C4'-P-C4' energy: -45.452
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: -54.875
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: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -605.818959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.818959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.818959 (E_RNA)
where:
Base-Base interactions energy: -419.145
where: short stacking energy: -189.759
Base-Backbone interact. energy: -0.320
local terms energy: -186.354059
where:
bonds (distance) C4'-P energy: -41.161
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -37.041
flat angles P-C4'-P energy: -27.403
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: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -577.365098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.365098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.365098 (E_RNA)
where:
Base-Base interactions energy: -392.221
where: short stacking energy: -172.347
Base-Backbone interact. energy: -0.252
local terms energy: -184.891912
where:
bonds (distance) C4'-P energy: -39.841
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -26.819
tors. eta vs tors. theta energy: -45.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -539.617011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.617011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.617011 (E_RNA)
where:
Base-Base interactions energy: -349.122
where: short stacking energy: -157.070
Base-Backbone interact. energy: -0.087
local terms energy: -190.407695
where:
bonds (distance) C4'-P energy: -37.632
bonds (distance) P-C4' energy: -40.279
flat angles C4'-P-C4' energy: -41.672
flat angles P-C4'-P energy: -26.938
tors. eta vs tors. theta energy: -43.887
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: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -477.965513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.965513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.965513 (E_RNA)
where:
Base-Base interactions energy: -303.823
where: short stacking energy: -147.403
Base-Backbone interact. energy: -2.222
local terms energy: -171.920627
where:
bonds (distance) C4'-P energy: -33.463
bonds (distance) P-C4' energy: -37.257
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -30.994
tors. eta vs tors. theta energy: -38.758
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: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -461.973720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.973720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.973720 (E_RNA)
where:
Base-Base interactions energy: -300.905
where: short stacking energy: -134.967
Base-Backbone interact. energy: -0.711
local terms energy: -160.357719
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -36.869
flat angles C4'-P-C4' energy: -38.187
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -37.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -273.757412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.757412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.757412 (E_RNA)
where:
Base-Base interactions energy: -138.829
where: short stacking energy: -73.206
Base-Backbone interact. energy: -0.877
local terms energy: -134.051812
where:
bonds (distance) C4'-P energy: -34.996
bonds (distance) P-C4' energy: -38.170
flat angles C4'-P-C4' energy: -39.626
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -274.516456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.516456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.516456 (E_RNA)
where:
Base-Base interactions energy: -130.072
where: short stacking energy: -75.511
Base-Backbone interact. energy: -0.428
local terms energy: -144.016217
where:
bonds (distance) C4'-P energy: -33.067
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -37.529
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -12.494
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: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -171.771689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.771689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.771689 (E_RNA)
where:
Base-Base interactions energy: -70.282
where: short stacking energy: -66.501
Base-Backbone interact. energy: -0.713
local terms energy: -100.776455
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: 3.902
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: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -256.602657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.602657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.602657 (E_RNA)
where:
Base-Base interactions energy: -134.856
where: short stacking energy: -69.931
Base-Backbone interact. energy: -1.540
local terms energy: -120.206668
where:
bonds (distance) C4'-P energy: -33.000
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -19.329
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: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -647.672208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.672208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.672208 (E_RNA)
where:
Base-Base interactions energy: -457.189
where: short stacking energy: -194.783
Base-Backbone interact. energy: -0.277
local terms energy: -190.206784
where:
bonds (distance) C4'-P energy: -40.088
bonds (distance) P-C4' energy: -33.497
flat angles C4'-P-C4' energy: -35.778
flat angles P-C4'-P energy: -27.842
tors. eta vs tors. theta energy: -53.002
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: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -594.835760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.835760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.835760 (E_RNA)
where:
Base-Base interactions energy: -414.664
where: short stacking energy: -177.376
Base-Backbone interact. energy: -0.521
local terms energy: -179.650756
where:
bonds (distance) C4'-P energy: -29.862
bonds (distance) P-C4' energy: -40.599
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -24.674
tors. eta vs tors. theta energy: -43.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -576.203063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.203063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.203063 (E_RNA)
where:
Base-Base interactions energy: -385.953
where: short stacking energy: -171.405
Base-Backbone interact. energy: 2.566
local terms energy: -192.816454
where:
bonds (distance) C4'-P energy: -33.690
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -44.393
flat angles P-C4'-P energy: -28.269
tors. eta vs tors. theta energy: -50.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -541.530741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.530741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.530741 (E_RNA)
where:
Base-Base interactions energy: -362.450
where: short stacking energy: -162.604
Base-Backbone interact. energy: -0.725
local terms energy: -178.355735
where:
bonds (distance) C4'-P energy: -26.944
bonds (distance) P-C4' energy: -38.681
flat angles C4'-P-C4' energy: -42.041
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -47.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -489.436276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.436276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.436276 (E_RNA)
where:
Base-Base interactions energy: -312.106
where: short stacking energy: -147.993
Base-Backbone interact. energy: -1.404
local terms energy: -175.926380
where:
bonds (distance) C4'-P energy: -37.322
bonds (distance) P-C4' energy: -36.682
flat angles C4'-P-C4' energy: -39.499
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -40.229
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: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -433.859812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.859812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.859812 (E_RNA)
where:
Base-Base interactions energy: -277.861
where: short stacking energy: -134.384
Base-Backbone interact. energy: -0.450
local terms energy: -155.548426
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -39.731
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -16.756
tors. eta vs tors. theta energy: -29.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -289.631667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.631667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.631667 (E_RNA)
where:
Base-Base interactions energy: -144.389
where: short stacking energy: -83.965
Base-Backbone interact. energy: -0.495
local terms energy: -144.747147
where:
bonds (distance) C4'-P energy: -35.908
bonds (distance) P-C4' energy: -35.115
flat angles C4'-P-C4' energy: -39.753
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -275.029647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.029647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.029647 (E_RNA)
where:
Base-Base interactions energy: -135.029
where: short stacking energy: -77.237
Base-Backbone interact. energy: -0.231
local terms energy: -139.769647
where:
bonds (distance) C4'-P energy: -35.152
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -39.408
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -195.678849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.678849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.678849 (E_RNA)
where:
Base-Base interactions energy: -84.648
where: short stacking energy: -60.080
Base-Backbone interact. energy: 0.694
local terms energy: -111.724774
where:
bonds (distance) C4'-P energy: -32.889
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -31.949
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -252.371374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.371374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.371374 (E_RNA)
where:
Base-Base interactions energy: -139.426
where: short stacking energy: -71.427
Base-Backbone interact. energy: 2.230
local terms energy: -115.175458
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -38.491
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -644.099853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.099853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.099853 (E_RNA)
where:
Base-Base interactions energy: -441.319
where: short stacking energy: -192.966
Base-Backbone interact. energy: 1.152
local terms energy: -203.933680
where:
bonds (distance) C4'-P energy: -37.248
bonds (distance) P-C4' energy: -43.352
flat angles C4'-P-C4' energy: -39.270
flat angles P-C4'-P energy: -25.645
tors. eta vs tors. theta energy: -58.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -606.546069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.546069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.546069 (E_RNA)
where:
Base-Base interactions energy: -416.046
where: short stacking energy: -188.363
Base-Backbone interact. energy: -0.967
local terms energy: -189.532882
where:
bonds (distance) C4'-P energy: -40.960
bonds (distance) P-C4' energy: -29.413
flat angles C4'-P-C4' energy: -44.353
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -50.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -562.001208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.001208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.001208 (E_RNA)
where:
Base-Base interactions energy: -372.103
where: short stacking energy: -163.684
Base-Backbone interact. energy: -0.387
local terms energy: -189.511663
where:
bonds (distance) C4'-P energy: -39.489
bonds (distance) P-C4' energy: -37.162
flat angles C4'-P-C4' energy: -44.250
flat angles P-C4'-P energy: -24.633
tors. eta vs tors. theta energy: -43.979
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: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -556.511397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.511397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.511397 (E_RNA)
where:
Base-Base interactions energy: -357.592
where: short stacking energy: -159.840
Base-Backbone interact. energy: -0.864
local terms energy: -198.056254
where:
bonds (distance) C4'-P energy: -41.226
bonds (distance) P-C4' energy: -45.851
flat angles C4'-P-C4' energy: -42.653
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: -41.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -472.309878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.309878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.309878 (E_RNA)
where:
Base-Base interactions energy: -300.336
where: short stacking energy: -139.282
Base-Backbone interact. energy: 0.651
local terms energy: -172.624546
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -37.287
flat angles C4'-P-C4' energy: -31.579
flat angles P-C4'-P energy: -30.295
tors. eta vs tors. theta energy: -38.424
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: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -452.151449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.151449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.151449 (E_RNA)
where:
Base-Base interactions energy: -283.089
where: short stacking energy: -136.137
Base-Backbone interact. energy: -0.934
local terms energy: -168.128770
where:
bonds (distance) C4'-P energy: -36.914
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -32.748
flat angles P-C4'-P energy: -21.218
tors. eta vs tors. theta energy: -37.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -291.262883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.262883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.262883 (E_RNA)
where:
Base-Base interactions energy: -165.376
where: short stacking energy: -81.960
Base-Backbone interact. energy: -0.615
local terms energy: -125.272443
where:
bonds (distance) C4'-P energy: -29.710
bonds (distance) P-C4' energy: -38.298
flat angles C4'-P-C4' energy: -32.474
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -6.466
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: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -267.765668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.765668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.765668 (E_RNA)
where:
Base-Base interactions energy: -148.971
where: short stacking energy: -64.548
Base-Backbone interact. energy: -0.191
local terms energy: -118.603990
where:
bonds (distance) C4'-P energy: -35.492
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -31.459
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: 0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -264.919320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.919320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.919320 (E_RNA)
where:
Base-Base interactions energy: -140.764
where: short stacking energy: -80.239
Base-Backbone interact. energy: -1.119
local terms energy: -123.036556
where:
bonds (distance) C4'-P energy: -31.122
bonds (distance) P-C4' energy: -41.004
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -22.727
tors. eta vs tors. theta energy: -4.455
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: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -173.333248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.333248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.333248 (E_RNA)
where:
Base-Base interactions energy: -53.348
where: short stacking energy: -45.450
Base-Backbone interact. energy: -0.710
local terms energy: -119.274938
where:
bonds (distance) C4'-P energy: -36.292
bonds (distance) P-C4' energy: -29.483
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -24.376
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -642.840644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.840644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.840644 (E_RNA)
where:
Base-Base interactions energy: -440.457
where: short stacking energy: -184.677
Base-Backbone interact. energy: -2.130
local terms energy: -200.254038
where:
bonds (distance) C4'-P energy: -28.930
bonds (distance) P-C4' energy: -42.031
flat angles C4'-P-C4' energy: -44.358
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -60.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -596.656524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.656524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.656524 (E_RNA)
where:
Base-Base interactions energy: -406.193
where: short stacking energy: -178.695
Base-Backbone interact. energy: -0.331
local terms energy: -190.131814
where:
bonds (distance) C4'-P energy: -32.978
bonds (distance) P-C4' energy: -39.866
flat angles C4'-P-C4' energy: -41.696
flat angles P-C4'-P energy: -31.522
tors. eta vs tors. theta energy: -44.070
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: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -557.716071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.716071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.716071 (E_RNA)
where:
Base-Base interactions energy: -363.222
where: short stacking energy: -176.602
Base-Backbone interact. energy: -1.078
local terms energy: -193.415736
where:
bonds (distance) C4'-P energy: -32.592
bonds (distance) P-C4' energy: -42.443
flat angles C4'-P-C4' energy: -45.956
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -47.374
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: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -562.330087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.330087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.330087 (E_RNA)
where:
Base-Base interactions energy: -368.408
where: short stacking energy: -161.987
Base-Backbone interact. energy: -0.405
local terms energy: -193.516538
where:
bonds (distance) C4'-P energy: -33.731
bonds (distance) P-C4' energy: -40.487
flat angles C4'-P-C4' energy: -39.801
flat angles P-C4'-P energy: -32.107
tors. eta vs tors. theta energy: -47.391
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: 85
Temperature: 1.100000
Total energy: -484.539349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.539349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.539349 (E_RNA)
where:
Base-Base interactions energy: -315.868
where: short stacking energy: -147.998
Base-Backbone interact. energy: -0.814
local terms energy: -167.857250
where:
bonds (distance) C4'-P energy: -25.102
bonds (distance) P-C4' energy: -29.166
flat angles C4'-P-C4' energy: -38.478
flat angles P-C4'-P energy: -27.507
tors. eta vs tors. theta energy: -47.605
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: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -452.066867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.066867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.066867 (E_RNA)
where:
Base-Base interactions energy: -285.151
where: short stacking energy: -126.748
Base-Backbone interact. energy: 0.934
local terms energy: -167.849445
where:
bonds (distance) C4'-P energy: -26.676
bonds (distance) P-C4' energy: -39.379
flat angles C4'-P-C4' energy: -36.471
flat angles P-C4'-P energy: -26.328
tors. eta vs tors. theta energy: -38.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -300.873568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.873568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.873568 (E_RNA)
where:
Base-Base interactions energy: -150.606
where: short stacking energy: -91.422
Base-Backbone interact. energy: -1.401
local terms energy: -148.866940
where:
bonds (distance) C4'-P energy: -37.392
bonds (distance) P-C4' energy: -34.554
flat angles C4'-P-C4' energy: -30.808
flat angles P-C4'-P energy: -27.604
tors. eta vs tors. theta energy: -18.509
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: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -271.666550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.666550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.666550 (E_RNA)
where:
Base-Base interactions energy: -136.793
where: short stacking energy: -80.995
Base-Backbone interact. energy: -1.427
local terms energy: -133.446180
where:
bonds (distance) C4'-P energy: -38.210
bonds (distance) P-C4' energy: -32.053
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -345.027943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.027943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.027943 (E_RNA)
where:
Base-Base interactions energy: -217.893
where: short stacking energy: -95.290
Base-Backbone interact. energy: -1.437
local terms energy: -125.697926
where:
bonds (distance) C4'-P energy: -21.901
bonds (distance) P-C4' energy: -38.429
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -19.319
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: 85
Temperature: 1.350000
Total energy: -169.466350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.466350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.466350 (E_RNA)
where:
Base-Base interactions energy: -65.061
where: short stacking energy: -48.565
Base-Backbone interact. energy: 3.623
local terms energy: -108.028413
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -36.641
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -617.189229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.189229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.189229 (E_RNA)
where:
Base-Base interactions energy: -422.537
where: short stacking energy: -170.672
Base-Backbone interact. energy: -0.587
local terms energy: -194.065849
where:
bonds (distance) C4'-P energy: -39.276
bonds (distance) P-C4' energy: -43.094
flat angles C4'-P-C4' energy: -39.068
flat angles P-C4'-P energy: -30.542
tors. eta vs tors. theta energy: -42.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -628.651076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.651076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.651076 (E_RNA)
where:
Base-Base interactions energy: -419.927
where: short stacking energy: -173.576
Base-Backbone interact. energy: 0.032
local terms energy: -208.755672
where:
bonds (distance) C4'-P energy: -41.309
bonds (distance) P-C4' energy: -38.878
flat angles C4'-P-C4' energy: -43.667
flat angles P-C4'-P energy: -27.820
tors. eta vs tors. theta energy: -57.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -560.036387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.036387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.036387 (E_RNA)
where:
Base-Base interactions energy: -364.304
where: short stacking energy: -166.865
Base-Backbone interact. energy: -0.069
local terms energy: -195.663316
where:
bonds (distance) C4'-P energy: -35.190
bonds (distance) P-C4' energy: -38.966
flat angles C4'-P-C4' energy: -43.797
flat angles P-C4'-P energy: -31.445
tors. eta vs tors. theta energy: -46.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -548.824610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.824610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.824610 (E_RNA)
where:
Base-Base interactions energy: -361.962
where: short stacking energy: -165.669
Base-Backbone interact. energy: -0.858
local terms energy: -186.004373
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -36.459
flat angles C4'-P-C4' energy: -39.408
flat angles P-C4'-P energy: -31.252
tors. eta vs tors. theta energy: -46.395
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: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -475.056884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.056884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.056884 (E_RNA)
where:
Base-Base interactions energy: -293.735
where: short stacking energy: -140.338
Base-Backbone interact. energy: -0.432
local terms energy: -180.890724
where:
bonds (distance) C4'-P energy: -42.872
bonds (distance) P-C4' energy: -41.163
flat angles C4'-P-C4' energy: -38.728
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -43.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -427.123010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.123010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.123010 (E_RNA)
where:
Base-Base interactions energy: -273.548
where: short stacking energy: -134.586
Base-Backbone interact. energy: 1.547
local terms energy: -155.122043
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -32.529
flat angles C4'-P-C4' energy: -36.861
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -35.251
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: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -307.129509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.129509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.129509 (E_RNA)
where:
Base-Base interactions energy: -170.115
where: short stacking energy: -98.571
Base-Backbone interact. energy: 0.257
local terms energy: -137.271894
where:
bonds (distance) C4'-P energy: -35.610
bonds (distance) P-C4' energy: -40.167
flat angles C4'-P-C4' energy: -28.885
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -263.563692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.563692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.563692 (E_RNA)
where:
Base-Base interactions energy: -142.075
where: short stacking energy: -73.487
Base-Backbone interact. energy: 0.340
local terms energy: -121.828842
where:
bonds (distance) C4'-P energy: -36.468
bonds (distance) P-C4' energy: -35.253
flat angles C4'-P-C4' energy: -31.922
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -339.870474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.870474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.870474 (E_RNA)
where:
Base-Base interactions energy: -203.495
where: short stacking energy: -99.057
Base-Backbone interact. energy: -0.831
local terms energy: -135.545256
where:
bonds (distance) C4'-P energy: -27.246
bonds (distance) P-C4' energy: -34.661
flat angles C4'-P-C4' energy: -35.506
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -23.156
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: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -170.050688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.050688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.050688 (E_RNA)
where:
Base-Base interactions energy: -46.056
where: short stacking energy: -36.946
Base-Backbone interact. energy: -0.426
local terms energy: -123.568906
where:
bonds (distance) C4'-P energy: -37.584
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -23.858
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -632.666696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.666696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.666696 (E_RNA)
where:
Base-Base interactions energy: -442.038
where: short stacking energy: -186.370
Base-Backbone interact. energy: -0.777
local terms energy: -189.851298
where:
bonds (distance) C4'-P energy: -29.361
bonds (distance) P-C4' energy: -41.957
flat angles C4'-P-C4' energy: -42.577
flat angles P-C4'-P energy: -30.736
tors. eta vs tors. theta energy: -45.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -620.691005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.691005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.691005 (E_RNA)
where:
Base-Base interactions energy: -409.830
where: short stacking energy: -177.983
Base-Backbone interact. energy: -0.738
local terms energy: -210.123171
where:
bonds (distance) C4'-P energy: -37.288
bonds (distance) P-C4' energy: -39.549
flat angles C4'-P-C4' energy: -46.470
flat angles P-C4'-P energy: -32.598
tors. eta vs tors. theta energy: -54.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -559.355949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.355949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.355949 (E_RNA)
where:
Base-Base interactions energy: -376.444
where: short stacking energy: -172.885
Base-Backbone interact. energy: -0.124
local terms energy: -182.788079
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -37.863
flat angles C4'-P-C4' energy: -43.884
flat angles P-C4'-P energy: -21.874
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: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -533.918413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.918413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.918413 (E_RNA)
where:
Base-Base interactions energy: -358.247
where: short stacking energy: -164.623
Base-Backbone interact. energy: -0.555
local terms energy: -175.116227
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -35.145
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -45.866
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: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -441.776261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.776261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.776261 (E_RNA)
where:
Base-Base interactions energy: -273.255
where: short stacking energy: -137.362
Base-Backbone interact. energy: -1.099
local terms energy: -167.421692
where:
bonds (distance) C4'-P energy: -32.558
bonds (distance) P-C4' energy: -40.331
flat angles C4'-P-C4' energy: -40.426
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -32.897
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: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -428.301075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.301075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.301075 (E_RNA)
where:
Base-Base interactions energy: -255.183
where: short stacking energy: -126.389
Base-Backbone interact. energy: -0.611
local terms energy: -172.507049
where:
bonds (distance) C4'-P energy: -33.953
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -31.750
flat angles P-C4'-P energy: -29.188
tors. eta vs tors. theta energy: -36.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -362.252846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.252846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.252846 (E_RNA)
where:
Base-Base interactions energy: -207.610
where: short stacking energy: -114.682
Base-Backbone interact. energy: 0.123
local terms energy: -154.766437
where:
bonds (distance) C4'-P energy: -32.311
bonds (distance) P-C4' energy: -37.083
flat angles C4'-P-C4' energy: -34.432
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -29.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -286.317470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.317470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.317470 (E_RNA)
where:
Base-Base interactions energy: -155.971
where: short stacking energy: -81.385
Base-Backbone interact. energy: 0.391
local terms energy: -130.737608
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -36.568
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -20.951
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -266.350735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.350735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.350735 (E_RNA)
where:
Base-Base interactions energy: -150.847
where: short stacking energy: -67.632
Base-Backbone interact. energy: -0.753
local terms energy: -114.750864
where:
bonds (distance) C4'-P energy: -30.202
bonds (distance) P-C4' energy: -38.441
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -169.507868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.507868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.507868 (E_RNA)
where:
Base-Base interactions energy: -58.912
where: short stacking energy: -55.679
Base-Backbone interact. energy: 1.272
local terms energy: -111.868393
where:
bonds (distance) C4'-P energy: -31.986
bonds (distance) P-C4' energy: -30.648
flat angles C4'-P-C4' energy: -32.365
flat angles P-C4'-P energy: -17.742
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: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -637.876106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.876106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.876106 (E_RNA)
where:
Base-Base interactions energy: -431.467
where: short stacking energy: -183.859
Base-Backbone interact. energy: -1.895
local terms energy: -204.513936
where:
bonds (distance) C4'-P energy: -39.918
bonds (distance) P-C4' energy: -37.310
flat angles C4'-P-C4' energy: -39.364
flat angles P-C4'-P energy: -30.029
tors. eta vs tors. theta energy: -57.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -620.224589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.224589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.224589 (E_RNA)
where:
Base-Base interactions energy: -431.163
where: short stacking energy: -167.226
Base-Backbone interact. energy: -1.230
local terms energy: -187.831258
where:
bonds (distance) C4'-P energy: -37.264
bonds (distance) P-C4' energy: -36.058
flat angles C4'-P-C4' energy: -40.153
flat angles P-C4'-P energy: -29.501
tors. eta vs tors. theta energy: -44.856
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: 88
Temperature: 1.000000
Total energy: -581.605690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.605690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.605690 (E_RNA)
where:
Base-Base interactions energy: -388.182
where: short stacking energy: -174.092
Base-Backbone interact. energy: -2.018
local terms energy: -191.405805
where:
bonds (distance) C4'-P energy: -35.235
bonds (distance) P-C4' energy: -42.863
flat angles C4'-P-C4' energy: -41.574
flat angles P-C4'-P energy: -25.223
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: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -522.634495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.634495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.634495 (E_RNA)
where:
Base-Base interactions energy: -343.329
where: short stacking energy: -157.387
Base-Backbone interact. energy: 1.297
local terms energy: -180.602588
where:
bonds (distance) C4'-P energy: -32.518
bonds (distance) P-C4' energy: -37.393
flat angles C4'-P-C4' energy: -45.595
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -41.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -449.290938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.290938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.290938 (E_RNA)
where:
Base-Base interactions energy: -277.779
where: short stacking energy: -130.496
Base-Backbone interact. energy: -0.181
local terms energy: -171.331100
where:
bonds (distance) C4'-P energy: -35.416
bonds (distance) P-C4' energy: -33.981
flat angles C4'-P-C4' energy: -36.054
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: -40.503
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: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -461.401890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.401890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.401890 (E_RNA)
where:
Base-Base interactions energy: -292.752
where: short stacking energy: -156.138
Base-Backbone interact. energy: -0.658
local terms energy: -167.992665
where:
bonds (distance) C4'-P energy: -33.777
bonds (distance) P-C4' energy: -30.829
flat angles C4'-P-C4' energy: -37.567
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: -41.823
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: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -348.639414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.639414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.639414 (E_RNA)
where:
Base-Base interactions energy: -200.432
where: short stacking energy: -107.889
Base-Backbone interact. energy: -0.190
local terms energy: -148.017393
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -42.520
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -26.401
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: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -299.476500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.476500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.476500 (E_RNA)
where:
Base-Base interactions energy: -180.740
where: short stacking energy: -71.471
Base-Backbone interact. energy: -0.923
local terms energy: -117.813905
where:
bonds (distance) C4'-P energy: -37.063
bonds (distance) P-C4' energy: -35.233
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: 0.666
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: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -251.682378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.682378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.682378 (E_RNA)
where:
Base-Base interactions energy: -135.157
where: short stacking energy: -65.406
Base-Backbone interact. energy: 3.204
local terms energy: -119.728659
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -36.487
flat angles C4'-P-C4' energy: -37.837
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -175.491859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.491859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.491859 (E_RNA)
where:
Base-Base interactions energy: -60.470
where: short stacking energy: -58.516
Base-Backbone interact. energy: 0.971
local terms energy: -115.992911
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -30.301
flat angles C4'-P-C4' energy: -36.237
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -638.357540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.357540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.357540 (E_RNA)
where:
Base-Base interactions energy: -442.208
where: short stacking energy: -179.345
Base-Backbone interact. energy: -2.476
local terms energy: -193.672874
where:
bonds (distance) C4'-P energy: -34.408
bonds (distance) P-C4' energy: -42.982
flat angles C4'-P-C4' energy: -35.574
flat angles P-C4'-P energy: -26.215
tors. eta vs tors. theta energy: -54.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -613.784315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.784315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.784315 (E_RNA)
where:
Base-Base interactions energy: -418.560
where: short stacking energy: -164.459
Base-Backbone interact. energy: -0.646
local terms energy: -194.578678
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -39.388
flat angles C4'-P-C4' energy: -37.927
flat angles P-C4'-P energy: -29.957
tors. eta vs tors. theta energy: -42.681
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: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -576.359031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.359031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.359031 (E_RNA)
where:
Base-Base interactions energy: -392.540
where: short stacking energy: -182.028
Base-Backbone interact. energy: -1.779
local terms energy: -182.039617
where:
bonds (distance) C4'-P energy: -37.283
bonds (distance) P-C4' energy: -38.553
flat angles C4'-P-C4' energy: -36.307
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -56.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -527.315345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.315345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.315345 (E_RNA)
where:
Base-Base interactions energy: -347.307
where: short stacking energy: -165.258
Base-Backbone interact. energy: 0.255
local terms energy: -180.263555
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -41.756
flat angles C4'-P-C4' energy: -40.167
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -42.853
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: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -448.166269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.166269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.166269 (E_RNA)
where:
Base-Base interactions energy: -306.594
where: short stacking energy: -138.087
Base-Backbone interact. energy: -1.622
local terms energy: -139.950776
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -33.590
flat angles C4'-P-C4' energy: -29.234
flat angles P-C4'-P energy: -17.941
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: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -456.168230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.168230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.168230 (E_RNA)
where:
Base-Base interactions energy: -299.428
where: short stacking energy: -154.460
Base-Backbone interact. energy: -0.780
local terms energy: -155.960456
where:
bonds (distance) C4'-P energy: -33.599
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -41.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -359.803387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.803387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.803387 (E_RNA)
where:
Base-Base interactions energy: -224.432
where: short stacking energy: -111.332
Base-Backbone interact. energy: -0.059
local terms energy: -135.312995
where:
bonds (distance) C4'-P energy: -37.200
bonds (distance) P-C4' energy: -37.883
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -284.585254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.585254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.585254 (E_RNA)
where:
Base-Base interactions energy: -137.299
where: short stacking energy: -78.159
Base-Backbone interact. energy: 1.904
local terms energy: -149.190080
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -38.585
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -254.206936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.206936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.206936 (E_RNA)
where:
Base-Base interactions energy: -129.129
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.975
local terms energy: -124.102391
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -36.712
flat angles C4'-P-C4' energy: -29.784
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -170.376473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.376473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.376473 (E_RNA)
where:
Base-Base interactions energy: -59.506
where: short stacking energy: -53.238
Base-Backbone interact. energy: -1.868
local terms energy: -109.002093
where:
bonds (distance) C4'-P energy: -28.465
bonds (distance) P-C4' energy: -33.404
flat angles C4'-P-C4' energy: -28.106
flat angles P-C4'-P energy: -20.381
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: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -653.509007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.509007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.509007 (E_RNA)
where:
Base-Base interactions energy: -457.040
where: short stacking energy: -190.618
Base-Backbone interact. energy: -3.122
local terms energy: -193.346882
where:
bonds (distance) C4'-P energy: -39.017
bonds (distance) P-C4' energy: -36.670
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: -55.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -601.518459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.518459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.518459 (E_RNA)
where:
Base-Base interactions energy: -406.265
where: short stacking energy: -171.278
Base-Backbone interact. energy: -1.848
local terms energy: -193.405240
where:
bonds (distance) C4'-P energy: -42.256
bonds (distance) P-C4' energy: -33.059
flat angles C4'-P-C4' energy: -43.861
flat angles P-C4'-P energy: -26.414
tors. eta vs tors. theta energy: -47.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -583.299480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.299480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.299480 (E_RNA)
where:
Base-Base interactions energy: -397.651
where: short stacking energy: -178.615
Base-Backbone interact. energy: 2.056
local terms energy: -187.705275
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -41.182
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -50.808
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: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -541.251560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.251560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.251560 (E_RNA)
where:
Base-Base interactions energy: -346.035
where: short stacking energy: -164.505
Base-Backbone interact. energy: -0.060
local terms energy: -195.156634
where:
bonds (distance) C4'-P energy: -35.521
bonds (distance) P-C4' energy: -42.484
flat angles C4'-P-C4' energy: -41.918
flat angles P-C4'-P energy: -24.712
tors. eta vs tors. theta energy: -50.521
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: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -461.908942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.908942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.908942 (E_RNA)
where:
Base-Base interactions energy: -286.972
where: short stacking energy: -145.316
Base-Backbone interact. energy: -0.514
local terms energy: -174.423076
where:
bonds (distance) C4'-P energy: -35.901
bonds (distance) P-C4' energy: -36.087
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -38.656
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: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -476.227740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.227740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.227740 (E_RNA)
where:
Base-Base interactions energy: -291.615
where: short stacking energy: -146.537
Base-Backbone interact. energy: -0.318
local terms energy: -184.294810
where:
bonds (distance) C4'-P energy: -36.772
bonds (distance) P-C4' energy: -34.943
flat angles C4'-P-C4' energy: -39.041
flat angles P-C4'-P energy: -30.940
tors. eta vs tors. theta energy: -42.599
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: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -380.876635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.876635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.876635 (E_RNA)
where:
Base-Base interactions energy: -230.582
where: short stacking energy: -121.674
Base-Backbone interact. energy: 3.387
local terms energy: -153.681242
where:
bonds (distance) C4'-P energy: -40.963
bonds (distance) P-C4' energy: -40.121
flat angles C4'-P-C4' energy: -28.916
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -27.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -260.881426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.881426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.881426 (E_RNA)
where:
Base-Base interactions energy: -118.676
where: short stacking energy: -60.867
Base-Backbone interact. energy: -0.272
local terms energy: -141.933578
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -38.049
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -277.623994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.623994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.623994 (E_RNA)
where:
Base-Base interactions energy: -157.681
where: short stacking energy: -82.502
Base-Backbone interact. energy: -0.423
local terms energy: -119.520285
where:
bonds (distance) C4'-P energy: -28.912
bonds (distance) P-C4' energy: -33.259
flat angles C4'-P-C4' energy: -28.574
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -177.736793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.736793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.736793 (E_RNA)
where:
Base-Base interactions energy: -86.291
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.696
local terms energy: -90.750101
where:
bonds (distance) C4'-P energy: -26.157
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: 3.142
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -642.955783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.955783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.955783 (E_RNA)
where:
Base-Base interactions energy: -443.315
where: short stacking energy: -179.889
Base-Backbone interact. energy: 0.506
local terms energy: -200.146425
where:
bonds (distance) C4'-P energy: -39.278
bonds (distance) P-C4' energy: -37.856
flat angles C4'-P-C4' energy: -42.896
flat angles P-C4'-P energy: -25.858
tors. eta vs tors. theta energy: -54.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -610.220758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.220758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.220758 (E_RNA)
where:
Base-Base interactions energy: -407.510
where: short stacking energy: -192.011
Base-Backbone interact. energy: 0.490
local terms energy: -203.201358
where:
bonds (distance) C4'-P energy: -37.303
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -43.112
flat angles P-C4'-P energy: -33.455
tors. eta vs tors. theta energy: -58.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -599.334527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.334527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.334527 (E_RNA)
where:
Base-Base interactions energy: -417.767
where: short stacking energy: -178.201
Base-Backbone interact. energy: -0.655
local terms energy: -180.912752
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -40.979
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -42.540
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: 91
Temperature: 1.050000
Total energy: -535.135699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.135699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.135699 (E_RNA)
where:
Base-Base interactions energy: -335.195
where: short stacking energy: -153.551
Base-Backbone interact. energy: -0.231
local terms energy: -199.709356
where:
bonds (distance) C4'-P energy: -35.399
bonds (distance) P-C4' energy: -44.504
flat angles C4'-P-C4' energy: -46.459
flat angles P-C4'-P energy: -25.714
tors. eta vs tors. theta energy: -47.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -452.673801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.673801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.673801 (E_RNA)
where:
Base-Base interactions energy: -286.033
where: short stacking energy: -147.322
Base-Backbone interact. energy: -0.660
local terms energy: -165.981277
where:
bonds (distance) C4'-P energy: -36.065
bonds (distance) P-C4' energy: -39.280
flat angles C4'-P-C4' energy: -42.409
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -35.062
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: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -473.158830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.158830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.158830 (E_RNA)
where:
Base-Base interactions energy: -286.664
where: short stacking energy: -143.830
Base-Backbone interact. energy: 0.420
local terms energy: -186.915066
where:
bonds (distance) C4'-P energy: -37.023
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -39.476
flat angles P-C4'-P energy: -24.147
tors. eta vs tors. theta energy: -46.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -412.968513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.968513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.968513 (E_RNA)
where:
Base-Base interactions energy: -254.436
where: short stacking energy: -118.396
Base-Backbone interact. energy: -1.726
local terms energy: -156.806529
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -34.060
flat angles P-C4'-P energy: -32.236
tors. eta vs tors. theta energy: -32.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -284.316298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.316298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.316298 (E_RNA)
where:
Base-Base interactions energy: -165.362
where: short stacking energy: -101.740
Base-Backbone interact. energy: 0.749
local terms energy: -119.703372
where:
bonds (distance) C4'-P energy: -27.747
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -280.288629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.288629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.288629 (E_RNA)
where:
Base-Base interactions energy: -156.129
where: short stacking energy: -71.270
Base-Backbone interact. energy: 1.049
local terms energy: -125.208817
where:
bonds (distance) C4'-P energy: -33.107
bonds (distance) P-C4' energy: -38.267
flat angles C4'-P-C4' energy: -36.596
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: 2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -171.182427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.182427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.182427 (E_RNA)
where:
Base-Base interactions energy: -67.588
where: short stacking energy: -41.231
Base-Backbone interact. energy: -0.053
local terms energy: -103.541517
where:
bonds (distance) C4'-P energy: -31.420
bonds (distance) P-C4' energy: -23.653
flat angles C4'-P-C4' energy: -36.111
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: 2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -638.558152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.558152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.558152 (E_RNA)
where:
Base-Base interactions energy: -441.631
where: short stacking energy: -185.770
Base-Backbone interact. energy: -1.163
local terms energy: -195.764855
where:
bonds (distance) C4'-P energy: -36.336
bonds (distance) P-C4' energy: -41.576
flat angles C4'-P-C4' energy: -36.562
flat angles P-C4'-P energy: -26.152
tors. eta vs tors. theta energy: -55.139
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: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -599.124619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.124619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.124619 (E_RNA)
where:
Base-Base interactions energy: -396.767
where: short stacking energy: -190.834
Base-Backbone interact. energy: -0.878
local terms energy: -201.479212
where:
bonds (distance) C4'-P energy: -32.558
bonds (distance) P-C4' energy: -42.514
flat angles C4'-P-C4' energy: -41.852
flat angles P-C4'-P energy: -27.319
tors. eta vs tors. theta energy: -57.236
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: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -594.317062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.317062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.317062 (E_RNA)
where:
Base-Base interactions energy: -407.509
where: short stacking energy: -177.415
Base-Backbone interact. energy: -0.373
local terms energy: -186.435436
where:
bonds (distance) C4'-P energy: -34.402
bonds (distance) P-C4' energy: -37.576
flat angles C4'-P-C4' energy: -42.347
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: -47.991
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: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -536.407875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.407875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.407875 (E_RNA)
where:
Base-Base interactions energy: -353.421
where: short stacking energy: -162.632
Base-Backbone interact. energy: -0.385
local terms energy: -182.602173
where:
bonds (distance) C4'-P energy: -44.302
bonds (distance) P-C4' energy: -39.555
flat angles C4'-P-C4' energy: -39.003
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -42.129
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: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -469.414524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.414524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.414524 (E_RNA)
where:
Base-Base interactions energy: -288.721
where: short stacking energy: -152.128
Base-Backbone interact. energy: -0.158
local terms energy: -180.535758
where:
bonds (distance) C4'-P energy: -31.484
bonds (distance) P-C4' energy: -34.032
flat angles C4'-P-C4' energy: -43.910
flat angles P-C4'-P energy: -28.706
tors. eta vs tors. theta energy: -42.403
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: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -423.363905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.363905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.363905 (E_RNA)
where:
Base-Base interactions energy: -268.680
where: short stacking energy: -125.515
Base-Backbone interact. energy: -1.316
local terms energy: -153.367720
where:
bonds (distance) C4'-P energy: -34.828
bonds (distance) P-C4' energy: -37.603
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -35.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -298.729217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.729217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.729217 (E_RNA)
where:
Base-Base interactions energy: -171.738
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.693
local terms energy: -126.297736
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -38.016
flat angles C4'-P-C4' energy: -29.154
flat angles P-C4'-P energy: -21.722
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -382.507978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.507978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.507978 (E_RNA)
where:
Base-Base interactions energy: -247.306
where: short stacking energy: -110.298
Base-Backbone interact. energy: -0.170
local terms energy: -135.031333
where:
bonds (distance) C4'-P energy: -29.801
bonds (distance) P-C4' energy: -37.486
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -20.785
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: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -303.505597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.505597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.505597 (E_RNA)
where:
Base-Base interactions energy: -186.525
where: short stacking energy: -77.022
Base-Backbone interact. energy: 2.071
local terms energy: -119.051249
where:
bonds (distance) C4'-P energy: -37.803
bonds (distance) P-C4' energy: -31.925
flat angles C4'-P-C4' energy: -27.693
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -179.663016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.663016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.663016 (E_RNA)
where:
Base-Base interactions energy: -73.472
where: short stacking energy: -53.723
Base-Backbone interact. energy: 2.271
local terms energy: -108.462136
where:
bonds (distance) C4'-P energy: -35.025
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: 11.391
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: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -619.162997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.162997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.162997 (E_RNA)
where:
Base-Base interactions energy: -425.442
where: short stacking energy: -168.598
Base-Backbone interact. energy: -0.883
local terms energy: -192.838102
where:
bonds (distance) C4'-P energy: -39.128
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -39.004
flat angles P-C4'-P energy: -30.039
tors. eta vs tors. theta energy: -48.646
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: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -600.417096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.417096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.417096 (E_RNA)
where:
Base-Base interactions energy: -400.583
where: short stacking energy: -161.194
Base-Backbone interact. energy: -0.695
local terms energy: -199.138343
where:
bonds (distance) C4'-P energy: -37.402
bonds (distance) P-C4' energy: -41.819
flat angles C4'-P-C4' energy: -41.807
flat angles P-C4'-P energy: -31.469
tors. eta vs tors. theta energy: -46.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -575.243662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.243662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.243662 (E_RNA)
where:
Base-Base interactions energy: -391.851
where: short stacking energy: -171.876
Base-Backbone interact. energy: -2.235
local terms energy: -181.157249
where:
bonds (distance) C4'-P energy: -32.746
bonds (distance) P-C4' energy: -39.635
flat angles C4'-P-C4' energy: -38.910
flat angles P-C4'-P energy: -22.877
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: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -529.668205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.668205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.668205 (E_RNA)
where:
Base-Base interactions energy: -357.253
where: short stacking energy: -168.887
Base-Backbone interact. energy: -0.324
local terms energy: -172.091222
where:
bonds (distance) C4'-P energy: -33.397
bonds (distance) P-C4' energy: -30.674
flat angles C4'-P-C4' energy: -47.209
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -39.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -467.320001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.320001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.320001 (E_RNA)
where:
Base-Base interactions energy: -306.056
where: short stacking energy: -131.569
Base-Backbone interact. energy: -0.060
local terms energy: -161.204213
where:
bonds (distance) C4'-P energy: -30.737
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -32.304
flat angles P-C4'-P energy: -20.670
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: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -463.174427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.174427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.174427 (E_RNA)
where:
Base-Base interactions energy: -295.271
where: short stacking energy: -145.359
Base-Backbone interact. energy: -0.391
local terms energy: -167.511758
where:
bonds (distance) C4'-P energy: -33.338
bonds (distance) P-C4' energy: -33.437
flat angles C4'-P-C4' energy: -39.636
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -44.943
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: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -301.512855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.512855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.512855 (E_RNA)
where:
Base-Base interactions energy: -164.158
where: short stacking energy: -103.758
Base-Backbone interact. energy: 0.234
local terms energy: -137.588346
where:
bonds (distance) C4'-P energy: -33.731
bonds (distance) P-C4' energy: -38.393
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -19.099
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: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -411.845116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.845116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.845116 (E_RNA)
where:
Base-Base interactions energy: -263.912
where: short stacking energy: -117.098
Base-Backbone interact. energy: 0.397
local terms energy: -148.330278
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -34.353
flat angles C4'-P-C4' energy: -35.285
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -25.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -316.930004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.930004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.930004 (E_RNA)
where:
Base-Base interactions energy: -181.988
where: short stacking energy: -78.968
Base-Backbone interact. energy: 3.283
local terms energy: -138.225267
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -42.515
flat angles C4'-P-C4' energy: -27.330
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -17.132
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: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -200.627284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.627284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.627284 (E_RNA)
where:
Base-Base interactions energy: -90.054
where: short stacking energy: -54.596
Base-Backbone interact. energy: 2.442
local terms energy: -113.015443
where:
bonds (distance) C4'-P energy: -36.707
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -25.619
flat angles P-C4'-P energy: -19.761
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: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -643.244180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.244180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.244180 (E_RNA)
where:
Base-Base interactions energy: -434.964
where: short stacking energy: -185.228
Base-Backbone interact. energy: -1.785
local terms energy: -206.495505
where:
bonds (distance) C4'-P energy: -41.255
bonds (distance) P-C4' energy: -34.692
flat angles C4'-P-C4' energy: -44.163
flat angles P-C4'-P energy: -31.991
tors. eta vs tors. theta energy: -54.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -603.569657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.569657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.569657 (E_RNA)
where:
Base-Base interactions energy: -422.188
where: short stacking energy: -175.967
Base-Backbone interact. energy: -0.581
local terms energy: -180.800649
where:
bonds (distance) C4'-P energy: -37.600
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -39.805
flat angles P-C4'-P energy: -20.440
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: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -543.604935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.604935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.604935 (E_RNA)
where:
Base-Base interactions energy: -363.761
where: short stacking energy: -164.867
Base-Backbone interact. energy: -0.644
local terms energy: -179.200049
where:
bonds (distance) C4'-P energy: -30.226
bonds (distance) P-C4' energy: -41.766
flat angles C4'-P-C4' energy: -37.688
flat angles P-C4'-P energy: -25.621
tors. eta vs tors. theta energy: -43.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -557.062591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.062591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.062591 (E_RNA)
where:
Base-Base interactions energy: -375.643
where: short stacking energy: -151.341
Base-Backbone interact. energy: -0.108
local terms energy: -181.311526
where:
bonds (distance) C4'-P energy: -33.076
bonds (distance) P-C4' energy: -41.731
flat angles C4'-P-C4' energy: -36.199
flat angles P-C4'-P energy: -23.198
tors. eta vs tors. theta energy: -47.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -480.201906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.201906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.201906 (E_RNA)
where:
Base-Base interactions energy: -308.026
where: short stacking energy: -137.296
Base-Backbone interact. energy: -0.248
local terms energy: -171.927774
where:
bonds (distance) C4'-P energy: -35.140
bonds (distance) P-C4' energy: -31.350
flat angles C4'-P-C4' energy: -39.934
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -41.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -451.242823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.242823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.242823 (E_RNA)
where:
Base-Base interactions energy: -272.667
where: short stacking energy: -144.219
Base-Backbone interact. energy: 2.659
local terms energy: -181.234456
where:
bonds (distance) C4'-P energy: -31.114
bonds (distance) P-C4' energy: -42.012
flat angles C4'-P-C4' energy: -38.879
flat angles P-C4'-P energy: -27.474
tors. eta vs tors. theta energy: -41.756
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: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -428.995979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.995979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.995979 (E_RNA)
where:
Base-Base interactions energy: -272.575
where: short stacking energy: -125.400
Base-Backbone interact. energy: -1.282
local terms energy: -155.139735
where:
bonds (distance) C4'-P energy: -34.638
bonds (distance) P-C4' energy: -29.275
flat angles C4'-P-C4' energy: -36.023
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -32.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -283.453922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.453922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.453922 (E_RNA)
where:
Base-Base interactions energy: -146.536
where: short stacking energy: -91.132
Base-Backbone interact. energy: -1.596
local terms energy: -135.322536
where:
bonds (distance) C4'-P energy: -26.567
bonds (distance) P-C4' energy: -38.961
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -179.646116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.646116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.646116 (E_RNA)
where:
Base-Base interactions energy: -73.005
where: short stacking energy: -55.347
Base-Backbone interact. energy: 3.424
local terms energy: -110.064761
where:
bonds (distance) C4'-P energy: -28.998
bonds (distance) P-C4' energy: -34.222
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -19.593
tors. eta vs tors. theta energy: 1.301
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: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -268.492600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.492600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.492600 (E_RNA)
where:
Base-Base interactions energy: -143.009
where: short stacking energy: -84.221
Base-Backbone interact. energy: 1.223
local terms energy: -126.706558
where:
bonds (distance) C4'-P energy: -34.488
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -36.468
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -9.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -635.540947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.540947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.540947 (E_RNA)
where:
Base-Base interactions energy: -438.285
where: short stacking energy: -190.360
Base-Backbone interact. energy: -2.573
local terms energy: -194.683249
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -40.877
flat angles C4'-P-C4' energy: -40.128
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -56.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -567.368002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.368002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.368002 (E_RNA)
where:
Base-Base interactions energy: -361.878
where: short stacking energy: -156.786
Base-Backbone interact. energy: 0.148
local terms energy: -205.637141
where:
bonds (distance) C4'-P energy: -44.562
bonds (distance) P-C4' energy: -39.734
flat angles C4'-P-C4' energy: -44.299
flat angles P-C4'-P energy: -31.099
tors. eta vs tors. theta energy: -45.942
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: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -582.799975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.799975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.799975 (E_RNA)
where:
Base-Base interactions energy: -388.436
where: short stacking energy: -166.051
Base-Backbone interact. energy: -1.991
local terms energy: -192.372887
where:
bonds (distance) C4'-P energy: -35.763
bonds (distance) P-C4' energy: -39.881
flat angles C4'-P-C4' energy: -44.187
flat angles P-C4'-P energy: -25.745
tors. eta vs tors. theta energy: -46.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -579.335984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.335984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.335984 (E_RNA)
where:
Base-Base interactions energy: -398.155
where: short stacking energy: -165.058
Base-Backbone interact. energy: -1.768
local terms energy: -179.412390
where:
bonds (distance) C4'-P energy: -33.662
bonds (distance) P-C4' energy: -34.075
flat angles C4'-P-C4' energy: -41.982
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -48.338
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: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -469.475240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.475240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.475240 (E_RNA)
where:
Base-Base interactions energy: -304.782
where: short stacking energy: -140.012
Base-Backbone interact. energy: 2.861
local terms energy: -167.553919
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -38.359
flat angles C4'-P-C4' energy: -31.904
flat angles P-C4'-P energy: -24.432
tors. eta vs tors. theta energy: -40.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -479.817219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.817219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.817219 (E_RNA)
where:
Base-Base interactions energy: -317.129
where: short stacking energy: -149.513
Base-Backbone interact. energy: -1.239
local terms energy: -161.449172
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -42.988
flat angles C4'-P-C4' energy: -36.210
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -31.869
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: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -390.079421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.079421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.079421 (E_RNA)
where:
Base-Base interactions energy: -236.198
where: short stacking energy: -110.334
Base-Backbone interact. energy: 0.098
local terms energy: -153.979797
where:
bonds (distance) C4'-P energy: -35.173
bonds (distance) P-C4' energy: -39.371
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -269.600978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.600978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.600978 (E_RNA)
where:
Base-Base interactions energy: -140.948
where: short stacking energy: -86.146
Base-Backbone interact. energy: -0.181
local terms energy: -128.471554
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -33.032
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -23.344
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -180.075494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.075494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.075494 (E_RNA)
where:
Base-Base interactions energy: -67.197
where: short stacking energy: -57.655
Base-Backbone interact. energy: -0.944
local terms energy: -111.934575
where:
bonds (distance) C4'-P energy: -37.545
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -0.026
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: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -253.649363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.649363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.649363 (E_RNA)
where:
Base-Base interactions energy: -130.270
where: short stacking energy: -73.746
Base-Backbone interact. energy: 1.060
local terms energy: -124.439495
where:
bonds (distance) C4'-P energy: -31.625
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -635.323808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.323808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.323808 (E_RNA)
where:
Base-Base interactions energy: -445.480
where: short stacking energy: -182.824
Base-Backbone interact. energy: -1.884
local terms energy: -187.959202
where:
bonds (distance) C4'-P energy: -32.429
bonds (distance) P-C4' energy: -38.854
flat angles C4'-P-C4' energy: -37.365
flat angles P-C4'-P energy: -26.664
tors. eta vs tors. theta energy: -52.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -641.102851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.102851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.102851 (E_RNA)
where:
Base-Base interactions energy: -430.662
where: short stacking energy: -195.144
Base-Backbone interact. energy: -0.726
local terms energy: -209.714533
where:
bonds (distance) C4'-P energy: -41.531
bonds (distance) P-C4' energy: -43.858
flat angles C4'-P-C4' energy: -42.666
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -54.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -594.823492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.823492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.823492 (E_RNA)
where:
Base-Base interactions energy: -390.708
where: short stacking energy: -170.673
Base-Backbone interact. energy: -0.426
local terms energy: -203.689817
where:
bonds (distance) C4'-P energy: -37.979
bonds (distance) P-C4' energy: -39.691
flat angles C4'-P-C4' energy: -36.069
flat angles P-C4'-P energy: -35.434
tors. eta vs tors. theta energy: -54.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -572.480017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.480017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.480017 (E_RNA)
where:
Base-Base interactions energy: -393.574
where: short stacking energy: -158.930
Base-Backbone interact. energy: -0.482
local terms energy: -178.424578
where:
bonds (distance) C4'-P energy: -34.148
bonds (distance) P-C4' energy: -35.579
flat angles C4'-P-C4' energy: -38.193
flat angles P-C4'-P energy: -29.913
tors. eta vs tors. theta energy: -40.592
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: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -501.973724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.973724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.973724 (E_RNA)
where:
Base-Base interactions energy: -323.755
where: short stacking energy: -143.531
Base-Backbone interact. energy: -1.534
local terms energy: -176.684785
where:
bonds (distance) C4'-P energy: -40.057
bonds (distance) P-C4' energy: -42.308
flat angles C4'-P-C4' energy: -35.478
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -31.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -478.440087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.440087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.440087 (E_RNA)
where:
Base-Base interactions energy: -304.793
where: short stacking energy: -134.596
Base-Backbone interact. energy: -0.654
local terms energy: -172.993100
where:
bonds (distance) C4'-P energy: -29.630
bonds (distance) P-C4' energy: -42.293
flat angles C4'-P-C4' energy: -36.751
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: -39.395
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: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -372.742297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.742297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.742297 (E_RNA)
where:
Base-Base interactions energy: -238.484
where: short stacking energy: -124.056
Base-Backbone interact. energy: 1.999
local terms energy: -136.257880
where:
bonds (distance) C4'-P energy: -31.490
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -24.728
tors. eta vs tors. theta energy: -26.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -286.017503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.017503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.017503 (E_RNA)
where:
Base-Base interactions energy: -142.799
where: short stacking energy: -88.767
Base-Backbone interact. energy: -0.273
local terms energy: -142.945234
where:
bonds (distance) C4'-P energy: -35.740
bonds (distance) P-C4' energy: -38.701
flat angles C4'-P-C4' energy: -35.810
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -269.498508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.498508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.498508 (E_RNA)
where:
Base-Base interactions energy: -136.794
where: short stacking energy: -72.127
Base-Backbone interact. energy: -1.827
local terms energy: -130.877115
where:
bonds (distance) C4'-P energy: -37.294
bonds (distance) P-C4' energy: -32.585
flat angles C4'-P-C4' energy: -37.685
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -163.973423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.973423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.973423 (E_RNA)
where:
Base-Base interactions energy: -56.383
where: short stacking energy: -55.709
Base-Backbone interact. energy: 2.334
local terms energy: -109.923556
where:
bonds (distance) C4'-P energy: -35.379
bonds (distance) P-C4' energy: -39.022
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -18.565
tors. eta vs tors. theta energy: 10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -624.541811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.541811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.541811 (E_RNA)
where:
Base-Base interactions energy: -420.280
where: short stacking energy: -190.442
Base-Backbone interact. energy: -0.721
local terms energy: -203.541008
where:
bonds (distance) C4'-P energy: -39.313
bonds (distance) P-C4' energy: -42.564
flat angles C4'-P-C4' energy: -36.736
flat angles P-C4'-P energy: -29.345
tors. eta vs tors. theta energy: -55.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -586.665033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.665033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.665033 (E_RNA)
where:
Base-Base interactions energy: -377.503
where: short stacking energy: -181.121
Base-Backbone interact. energy: -0.902
local terms energy: -208.259552
where:
bonds (distance) C4'-P energy: -47.396
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -44.040
flat angles P-C4'-P energy: -29.188
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: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -576.371892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.371892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.371892 (E_RNA)
where:
Base-Base interactions energy: -388.141
where: short stacking energy: -163.404
Base-Backbone interact. energy: -0.550
local terms energy: -187.680088
where:
bonds (distance) C4'-P energy: -37.367
bonds (distance) P-C4' energy: -32.099
flat angles C4'-P-C4' energy: -37.850
flat angles P-C4'-P energy: -30.962
tors. eta vs tors. theta energy: -49.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -576.201902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.201902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.201902 (E_RNA)
where:
Base-Base interactions energy: -411.226
where: short stacking energy: -168.503
Base-Backbone interact. energy: -0.782
local terms energy: -164.193878
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -29.405
flat angles C4'-P-C4' energy: -36.911
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -40.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -497.170613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.170613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.170613 (E_RNA)
where:
Base-Base interactions energy: -340.580
where: short stacking energy: -147.727
Base-Backbone interact. energy: -0.253
local terms energy: -156.337457
where:
bonds (distance) C4'-P energy: -36.641
bonds (distance) P-C4' energy: -29.814
flat angles C4'-P-C4' energy: -37.842
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -38.136
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: 97
Temperature: 1.150000
Total energy: -442.814446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.814446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.814446 (E_RNA)
where:
Base-Base interactions energy: -284.252
where: short stacking energy: -135.975
Base-Backbone interact. energy: 1.230
local terms energy: -159.792668
where:
bonds (distance) C4'-P energy: -40.895
bonds (distance) P-C4' energy: -28.169
flat angles C4'-P-C4' energy: -37.600
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -34.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -367.110753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.110753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.110753 (E_RNA)
where:
Base-Base interactions energy: -208.904
where: short stacking energy: -113.346
Base-Backbone interact. energy: -1.987
local terms energy: -156.220052
where:
bonds (distance) C4'-P energy: -39.059
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -37.683
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -30.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -290.354590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.354590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.354590 (E_RNA)
where:
Base-Base interactions energy: -148.322
where: short stacking energy: -85.750
Base-Backbone interact. energy: -2.181
local terms energy: -139.851468
where:
bonds (distance) C4'-P energy: -39.307
bonds (distance) P-C4' energy: -37.132
flat angles C4'-P-C4' energy: -31.849
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -259.160635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.160635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.160635 (E_RNA)
where:
Base-Base interactions energy: -144.732
where: short stacking energy: -79.693
Base-Backbone interact. energy: -0.791
local terms energy: -113.637234
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -36.243
flat angles C4'-P-C4' energy: -29.542
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -13.796
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: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -170.383889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.383889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.383889 (E_RNA)
where:
Base-Base interactions energy: -59.816
where: short stacking energy: -49.888
Base-Backbone interact. energy: 1.312
local terms energy: -111.879903
where:
bonds (distance) C4'-P energy: -31.131
bonds (distance) P-C4' energy: -41.780
flat angles C4'-P-C4' energy: -28.149
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: 4.601
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: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -628.442112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.442112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.442112 (E_RNA)
where:
Base-Base interactions energy: -422.549
where: short stacking energy: -180.392
Base-Backbone interact. energy: -0.668
local terms energy: -205.224370
where:
bonds (distance) C4'-P energy: -36.657
bonds (distance) P-C4' energy: -39.621
flat angles C4'-P-C4' energy: -39.950
flat angles P-C4'-P energy: -34.565
tors. eta vs tors. theta energy: -54.431
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: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -599.869321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.869321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.869321 (E_RNA)
where:
Base-Base interactions energy: -412.271
where: short stacking energy: -182.758
Base-Backbone interact. energy: -0.274
local terms energy: -187.323670
where:
bonds (distance) C4'-P energy: -35.485
bonds (distance) P-C4' energy: -38.456
flat angles C4'-P-C4' energy: -36.497
flat angles P-C4'-P energy: -25.389
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: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -590.703814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.703814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.703814 (E_RNA)
where:
Base-Base interactions energy: -404.221
where: short stacking energy: -165.036
Base-Backbone interact. energy: 0.291
local terms energy: -186.774485
where:
bonds (distance) C4'-P energy: -35.724
bonds (distance) P-C4' energy: -38.266
flat angles C4'-P-C4' energy: -42.866
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -48.728
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: 98
Temperature: 1.050000
Total energy: -553.007234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.007234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.007234 (E_RNA)
where:
Base-Base interactions energy: -361.852
where: short stacking energy: -161.772
Base-Backbone interact. energy: -1.183
local terms energy: -189.972055
where:
bonds (distance) C4'-P energy: -35.325
bonds (distance) P-C4' energy: -38.005
flat angles C4'-P-C4' energy: -42.527
flat angles P-C4'-P energy: -31.455
tors. eta vs tors. theta energy: -42.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -527.823137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.823137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.823137 (E_RNA)
where:
Base-Base interactions energy: -348.314
where: short stacking energy: -159.038
Base-Backbone interact. energy: -0.236
local terms energy: -179.272539
where:
bonds (distance) C4'-P energy: -39.854
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -40.403
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -41.368
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: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -413.668890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.668890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.668890 (E_RNA)
where:
Base-Base interactions energy: -258.052
where: short stacking energy: -133.566
Base-Backbone interact. energy: 0.048
local terms energy: -155.664498
where:
bonds (distance) C4'-P energy: -38.799
bonds (distance) P-C4' energy: -38.265
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -19.471
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: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -431.441503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.441503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.441503 (E_RNA)
where:
Base-Base interactions energy: -270.483
where: short stacking energy: -123.488
Base-Backbone interact. energy: -0.154
local terms energy: -160.804068
where:
bonds (distance) C4'-P energy: -25.743
bonds (distance) P-C4' energy: -38.796
flat angles C4'-P-C4' energy: -32.981
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -37.068
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: 98
Temperature: 1.250000
Total energy: -262.495733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.495733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.495733 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -74.680
Base-Backbone interact. energy: 0.102
local terms energy: -133.030820
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -12.013
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: 98
Temperature: 1.300000
Total energy: -193.458541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.458541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.458541 (E_RNA)
where:
Base-Base interactions energy: -81.408
where: short stacking energy: -63.820
Base-Backbone interact. energy: 2.268
local terms energy: -114.318810
where:
bonds (distance) C4'-P energy: -30.799
bonds (distance) P-C4' energy: -38.058
flat angles C4'-P-C4' energy: -31.861
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -5.677
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: 98
Temperature: 1.350000
Total energy: -262.825646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.825646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.825646 (E_RNA)
where:
Base-Base interactions energy: -128.440
where: short stacking energy: -74.885
Base-Backbone interact. energy: 1.440
local terms energy: -135.825780
where:
bonds (distance) C4'-P energy: -34.563
bonds (distance) P-C4' energy: -38.738
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -20.429
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -634.395636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.395636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.395636 (E_RNA)
where:
Base-Base interactions energy: -446.188
where: short stacking energy: -192.438
Base-Backbone interact. energy: -1.220
local terms energy: -186.987842
where:
bonds (distance) C4'-P energy: -32.866
bonds (distance) P-C4' energy: -36.271
flat angles C4'-P-C4' energy: -39.233
flat angles P-C4'-P energy: -25.507
tors. eta vs tors. theta energy: -53.111
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: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -600.458285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.458285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.458285 (E_RNA)
where:
Base-Base interactions energy: -408.444
where: short stacking energy: -177.249
Base-Backbone interact. energy: -0.072
local terms energy: -191.942149
where:
bonds (distance) C4'-P energy: -35.472
bonds (distance) P-C4' energy: -40.646
flat angles C4'-P-C4' energy: -39.140
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -50.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -591.978856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.978856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.978856 (E_RNA)
where:
Base-Base interactions energy: -407.531
where: short stacking energy: -171.734
Base-Backbone interact. energy: -0.937
local terms energy: -183.510839
where:
bonds (distance) C4'-P energy: -41.404
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -46.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -513.567382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.567382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.567382 (E_RNA)
where:
Base-Base interactions energy: -349.115
where: short stacking energy: -147.857
Base-Backbone interact. energy: -1.326
local terms energy: -163.126503
where:
bonds (distance) C4'-P energy: -31.668
bonds (distance) P-C4' energy: -37.128
flat angles C4'-P-C4' energy: -35.629
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -36.102
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: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -536.395617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.395617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.395617 (E_RNA)
where:
Base-Base interactions energy: -351.136
where: short stacking energy: -157.798
Base-Backbone interact. energy: 0.383
local terms energy: -185.642844
where:
bonds (distance) C4'-P energy: -36.021
bonds (distance) P-C4' energy: -40.569
flat angles C4'-P-C4' energy: -35.362
flat angles P-C4'-P energy: -29.519
tors. eta vs tors. theta energy: -44.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -461.987698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.987698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.987698 (E_RNA)
where:
Base-Base interactions energy: -289.129
where: short stacking energy: -151.165
Base-Backbone interact. energy: -0.105
local terms energy: -172.753267
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -36.316
flat angles C4'-P-C4' energy: -42.342
flat angles P-C4'-P energy: -20.709
tors. eta vs tors. theta energy: -47.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -398.947039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.947039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.947039 (E_RNA)
where:
Base-Base interactions energy: -248.230
where: short stacking energy: -112.519
Base-Backbone interact. energy: -0.595
local terms energy: -150.122083
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -32.297
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -27.162
tors. eta vs tors. theta energy: -31.401
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: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -229.516659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.516659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.516659 (E_RNA)
where:
Base-Base interactions energy: -94.646
where: short stacking energy: -86.345
Base-Backbone interact. energy: -1.613
local terms energy: -133.257767
where:
bonds (distance) C4'-P energy: -40.200
bonds (distance) P-C4' energy: -33.866
flat angles C4'-P-C4' energy: -27.470
flat angles P-C4'-P energy: -23.584
tors. eta vs tors. theta energy: -8.137
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: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -245.244385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.244385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.244385 (E_RNA)
where:
Base-Base interactions energy: -127.541
where: short stacking energy: -65.172
Base-Backbone interact. energy: 1.624
local terms energy: -119.327306
where:
bonds (distance) C4'-P energy: -33.056
bonds (distance) P-C4' energy: -33.711
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -242.897657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.897657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.897657 (E_RNA)
where:
Base-Base interactions energy: -115.619
where: short stacking energy: -64.231
Base-Backbone interact. energy: -0.321
local terms energy: -126.957629
where:
bonds (distance) C4'-P energy: -32.691
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -33.430
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -5.572
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: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -614.562639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.562639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.562639 (E_RNA)
where:
Base-Base interactions energy: -435.548
where: short stacking energy: -188.908
Base-Backbone interact. energy: 3.403
local terms energy: -182.417634
where:
bonds (distance) C4'-P energy: -29.515
bonds (distance) P-C4' energy: -36.205
flat angles C4'-P-C4' energy: -38.185
flat angles P-C4'-P energy: -28.691
tors. eta vs tors. theta energy: -49.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -618.896078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.896078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.896078 (E_RNA)
where:
Base-Base interactions energy: -421.416
where: short stacking energy: -178.373
Base-Backbone interact. energy: 0.349
local terms energy: -197.828882
where:
bonds (distance) C4'-P energy: -37.074
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -44.080
flat angles P-C4'-P energy: -26.182
tors. eta vs tors. theta energy: -54.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -590.291115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.291115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.291115 (E_RNA)
where:
Base-Base interactions energy: -396.464
where: short stacking energy: -170.342
Base-Backbone interact. energy: -1.364
local terms energy: -192.463489
where:
bonds (distance) C4'-P energy: -34.927
bonds (distance) P-C4' energy: -35.949
flat angles C4'-P-C4' energy: -41.506
flat angles P-C4'-P energy: -30.806
tors. eta vs tors. theta energy: -49.276
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: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -523.845702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.845702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.845702 (E_RNA)
where:
Base-Base interactions energy: -344.905
where: short stacking energy: -150.781
Base-Backbone interact. energy: -0.131
local terms energy: -178.809518
where:
bonds (distance) C4'-P energy: -34.074
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -42.052
flat angles P-C4'-P energy: -30.645
tors. eta vs tors. theta energy: -40.160
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: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -502.182003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.182003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.182003 (E_RNA)
where:
Base-Base interactions energy: -325.055
where: short stacking energy: -162.856
Base-Backbone interact. energy: 1.367
local terms energy: -178.493827
where:
bonds (distance) C4'-P energy: -32.491
bonds (distance) P-C4' energy: -31.217
flat angles C4'-P-C4' energy: -41.165
flat angles P-C4'-P energy: -28.297
tors. eta vs tors. theta energy: -45.324
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: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -500.533108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.533108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.533108 (E_RNA)
where:
Base-Base interactions energy: -318.397
where: short stacking energy: -146.377
Base-Backbone interact. energy: -1.014
local terms energy: -181.121708
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -38.542
flat angles C4'-P-C4' energy: -39.500
flat angles P-C4'-P energy: -28.183
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: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -398.420508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.420508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.420508 (E_RNA)
where:
Base-Base interactions energy: -265.639
where: short stacking energy: -113.156
Base-Backbone interact. energy: -0.070
local terms energy: -132.711257
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -29.600
flat angles C4'-P-C4' energy: -28.634
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -207.655692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.655692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.655692 (E_RNA)
where:
Base-Base interactions energy: -90.346
where: short stacking energy: -74.277
Base-Backbone interact. energy: -0.872
local terms energy: -116.437297
where:
bonds (distance) C4'-P energy: -28.145
bonds (distance) P-C4' energy: -31.751
flat angles C4'-P-C4' energy: -36.833
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -3.664
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: 100
Temperature: 1.300000
Total energy: -244.627184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.627184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.627184 (E_RNA)
where:
Base-Base interactions energy: -118.104
where: short stacking energy: -66.841
Base-Backbone interact. energy: -0.919
local terms energy: -125.604500
where:
bonds (distance) C4'-P energy: -40.570
bonds (distance) P-C4' energy: -34.859
flat angles C4'-P-C4' energy: -28.948
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: 0.940
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: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -253.835230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.835230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.835230 (E_RNA)
where:
Base-Base interactions energy: -132.556
where: short stacking energy: -66.136
Base-Backbone interact. energy: 0.039
local terms energy: -121.318261
where:
bonds (distance) C4'-P energy: -34.295
bonds (distance) P-C4' energy: -37.016
flat angles C4'-P-C4' energy: -34.565
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: 0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -611.971963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.971963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.971963 (E_RNA)
where:
Base-Base interactions energy: -418.937
where: short stacking energy: -185.257
Base-Backbone interact. energy: -0.441
local terms energy: -192.593601
where:
bonds (distance) C4'-P energy: -37.160
bonds (distance) P-C4' energy: -42.737
flat angles C4'-P-C4' energy: -36.551
flat angles P-C4'-P energy: -27.793
tors. eta vs tors. theta energy: -48.353
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: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -619.145835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.145835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.145835 (E_RNA)
where:
Base-Base interactions energy: -431.241
where: short stacking energy: -173.645
Base-Backbone interact. energy: -4.684
local terms energy: -183.220716
where:
bonds (distance) C4'-P energy: -36.046
bonds (distance) P-C4' energy: -28.050
flat angles C4'-P-C4' energy: -32.198
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -55.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -584.282534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.282534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.282534 (E_RNA)
where:
Base-Base interactions energy: -399.424
where: short stacking energy: -171.396
Base-Backbone interact. energy: -0.396
local terms energy: -184.462593
where:
bonds (distance) C4'-P energy: -33.096
bonds (distance) P-C4' energy: -38.362
flat angles C4'-P-C4' energy: -40.068
flat angles P-C4'-P energy: -27.483
tors. eta vs tors. theta energy: -45.455
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: 101
Temperature: 1.050000
Total energy: -534.769346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.769346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.769346 (E_RNA)
where:
Base-Base interactions energy: -365.667
where: short stacking energy: -166.464
Base-Backbone interact. energy: -0.326
local terms energy: -168.776908
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -38.001
flat angles C4'-P-C4' energy: -35.596
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -38.466
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: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -470.398302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.398302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.398302 (E_RNA)
where:
Base-Base interactions energy: -305.750
where: short stacking energy: -145.784
Base-Backbone interact. energy: 0.719
local terms energy: -165.367346
where:
bonds (distance) C4'-P energy: -26.561
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -37.280
flat angles P-C4'-P energy: -24.391
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: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -470.194479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.194479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.194479 (E_RNA)
where:
Base-Base interactions energy: -304.837
where: short stacking energy: -126.309
Base-Backbone interact. energy: 0.907
local terms energy: -166.264461
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -36.852
flat angles C4'-P-C4' energy: -40.119
flat angles P-C4'-P energy: -28.311
tors. eta vs tors. theta energy: -28.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -419.104603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.104603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.104603 (E_RNA)
where:
Base-Base interactions energy: -263.149
where: short stacking energy: -120.023
Base-Backbone interact. energy: -0.171
local terms energy: -155.784147
where:
bonds (distance) C4'-P energy: -36.631
bonds (distance) P-C4' energy: -38.728
flat angles C4'-P-C4' energy: -32.813
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -22.166
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: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -303.889018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.889018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.889018 (E_RNA)
where:
Base-Base interactions energy: -174.775
where: short stacking energy: -88.347
Base-Backbone interact. energy: 0.128
local terms energy: -129.242379
where:
bonds (distance) C4'-P energy: -33.090
bonds (distance) P-C4' energy: -34.754
flat angles C4'-P-C4' energy: -29.742
flat angles P-C4'-P energy: -22.783
tors. eta vs tors. theta energy: -8.874
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: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -213.824394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.824394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.824394 (E_RNA)
where:
Base-Base interactions energy: -87.773
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.282
local terms energy: -125.769569
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -36.573
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -22.163
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: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -251.278714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.278714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.278714 (E_RNA)
where:
Base-Base interactions energy: -126.564
where: short stacking energy: -75.410
Base-Backbone interact. energy: -0.059
local terms energy: -124.656117
where:
bonds (distance) C4'-P energy: -29.301
bonds (distance) P-C4' energy: -26.791
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -632.851640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.851640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.851640 (E_RNA)
where:
Base-Base interactions energy: -431.094
where: short stacking energy: -176.962
Base-Backbone interact. energy: -0.660
local terms energy: -201.097793
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -41.598
flat angles C4'-P-C4' energy: -42.601
flat angles P-C4'-P energy: -31.389
tors. eta vs tors. theta energy: -51.426
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: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -602.230917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.230917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.230917 (E_RNA)
where:
Base-Base interactions energy: -396.708
where: short stacking energy: -181.953
Base-Backbone interact. energy: -1.284
local terms energy: -204.238362
where:
bonds (distance) C4'-P energy: -36.798
bonds (distance) P-C4' energy: -44.231
flat angles C4'-P-C4' energy: -39.605
flat angles P-C4'-P energy: -31.028
tors. eta vs tors. theta energy: -52.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -557.999124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.999124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.999124 (E_RNA)
where:
Base-Base interactions energy: -378.345
where: short stacking energy: -176.674
Base-Backbone interact. energy: -1.196
local terms energy: -178.457346
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -42.216
flat angles C4'-P-C4' energy: -40.315
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -562.160839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.160839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.160839 (E_RNA)
where:
Base-Base interactions energy: -388.030
where: short stacking energy: -177.732
Base-Backbone interact. energy: -0.503
local terms energy: -173.627626
where:
bonds (distance) C4'-P energy: -38.801
bonds (distance) P-C4' energy: -30.972
flat angles C4'-P-C4' energy: -34.842
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -44.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -491.297414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.297414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.297414 (E_RNA)
where:
Base-Base interactions energy: -332.672
where: short stacking energy: -135.352
Base-Backbone interact. energy: 0.016
local terms energy: -158.641259
where:
bonds (distance) C4'-P energy: -36.663
bonds (distance) P-C4' energy: -33.461
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -31.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -486.499766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.499766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.499766 (E_RNA)
where:
Base-Base interactions energy: -303.182
where: short stacking energy: -152.025
Base-Backbone interact. energy: -0.159
local terms energy: -183.158692
where:
bonds (distance) C4'-P energy: -34.271
bonds (distance) P-C4' energy: -43.437
flat angles C4'-P-C4' energy: -36.631
flat angles P-C4'-P energy: -25.082
tors. eta vs tors. theta energy: -43.737
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: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -437.969894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.969894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.969894 (E_RNA)
where:
Base-Base interactions energy: -274.944
where: short stacking energy: -133.341
Base-Backbone interact. energy: 0.240
local terms energy: -163.266700
where:
bonds (distance) C4'-P energy: -34.097
bonds (distance) P-C4' energy: -26.016
flat angles C4'-P-C4' energy: -41.711
flat angles P-C4'-P energy: -27.175
tors. eta vs tors. theta energy: -34.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -293.625341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.625341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.625341 (E_RNA)
where:
Base-Base interactions energy: -150.723
where: short stacking energy: -92.098
Base-Backbone interact. energy: -2.152
local terms energy: -140.750293
where:
bonds (distance) C4'-P energy: -36.687
bonds (distance) P-C4' energy: -39.136
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -248.876511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.876511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.876511 (E_RNA)
where:
Base-Base interactions energy: -138.775
where: short stacking energy: -74.223
Base-Backbone interact. energy: -0.329
local terms energy: -109.772172
where:
bonds (distance) C4'-P energy: -37.428
bonds (distance) P-C4' energy: -32.372
flat angles C4'-P-C4' energy: -29.496
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -2.756
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: 102
Temperature: 1.350000
Total energy: -168.926327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.926327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.926327 (E_RNA)
where:
Base-Base interactions energy: -50.498
where: short stacking energy: -45.138
Base-Backbone interact. energy: -0.457
local terms energy: -117.971217
where:
bonds (distance) C4'-P energy: -31.136
bonds (distance) P-C4' energy: -34.659
flat angles C4'-P-C4' energy: -32.809
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: 0.587
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: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -644.203707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.203707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.203707 (E_RNA)
where:
Base-Base interactions energy: -439.442
where: short stacking energy: -184.122
Base-Backbone interact. energy: -0.668
local terms energy: -204.093850
where:
bonds (distance) C4'-P energy: -34.791
bonds (distance) P-C4' energy: -41.167
flat angles C4'-P-C4' energy: -37.029
flat angles P-C4'-P energy: -35.601
tors. eta vs tors. theta energy: -55.506
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: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -614.042731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.042731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.042731 (E_RNA)
where:
Base-Base interactions energy: -406.777
where: short stacking energy: -176.257
Base-Backbone interact. energy: -0.686
local terms energy: -206.578812
where:
bonds (distance) C4'-P energy: -37.007
bonds (distance) P-C4' energy: -43.442
flat angles C4'-P-C4' energy: -42.357
flat angles P-C4'-P energy: -30.784
tors. eta vs tors. theta energy: -52.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -554.019878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.019878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.019878 (E_RNA)
where:
Base-Base interactions energy: -370.118
where: short stacking energy: -173.752
Base-Backbone interact. energy: -0.365
local terms energy: -183.536945
where:
bonds (distance) C4'-P energy: -36.348
bonds (distance) P-C4' energy: -34.978
flat angles C4'-P-C4' energy: -42.356
flat angles P-C4'-P energy: -25.041
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: 4, replica: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -568.322638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.322638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.322638 (E_RNA)
where:
Base-Base interactions energy: -385.970
where: short stacking energy: -168.299
Base-Backbone interact. energy: -3.549
local terms energy: -178.803500
where:
bonds (distance) C4'-P energy: -32.782
bonds (distance) P-C4' energy: -36.054
flat angles C4'-P-C4' energy: -41.843
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -47.043
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: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -505.958231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.958231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.958231 (E_RNA)
where:
Base-Base interactions energy: -333.935
where: short stacking energy: -161.356
Base-Backbone interact. energy: 4.667
local terms energy: -176.690409
where:
bonds (distance) C4'-P energy: -33.846
bonds (distance) P-C4' energy: -33.915
flat angles C4'-P-C4' energy: -42.595
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -42.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -467.590386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.590386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.590386 (E_RNA)
where:
Base-Base interactions energy: -279.799
where: short stacking energy: -134.463
Base-Backbone interact. energy: -0.100
local terms energy: -187.691047
where:
bonds (distance) C4'-P energy: -34.312
bonds (distance) P-C4' energy: -41.637
flat angles C4'-P-C4' energy: -42.278
flat angles P-C4'-P energy: -26.607
tors. eta vs tors. theta energy: -42.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -430.445858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.445858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.445858 (E_RNA)
where:
Base-Base interactions energy: -274.983
where: short stacking energy: -120.910
Base-Backbone interact. energy: -1.261
local terms energy: -154.201662
where:
bonds (distance) C4'-P energy: -27.033
bonds (distance) P-C4' energy: -37.615
flat angles C4'-P-C4' energy: -45.946
flat angles P-C4'-P energy: -20.007
tors. eta vs tors. theta energy: -23.601
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: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -332.850932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.850932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.850932 (E_RNA)
where:
Base-Base interactions energy: -187.038
where: short stacking energy: -94.811
Base-Backbone interact. energy: -0.699
local terms energy: -145.113910
where:
bonds (distance) C4'-P energy: -39.433
bonds (distance) P-C4' energy: -40.195
flat angles C4'-P-C4' energy: -35.571
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -17.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -259.428224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.428224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.428224 (E_RNA)
where:
Base-Base interactions energy: -134.299
where: short stacking energy: -86.354
Base-Backbone interact. energy: 1.408
local terms energy: -126.537010
where:
bonds (distance) C4'-P energy: -34.266
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -20.294
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: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -168.041623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.041623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.041623 (E_RNA)
where:
Base-Base interactions energy: -50.380
where: short stacking energy: -47.862
Base-Backbone interact. energy: 0.476
local terms energy: -118.137604
where:
bonds (distance) C4'-P energy: -34.476
bonds (distance) P-C4' energy: -32.185
flat angles C4'-P-C4' energy: -28.714
flat angles P-C4'-P energy: -20.506
tors. eta vs tors. theta energy: -2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -647.361706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.361706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.361706 (E_RNA)
where:
Base-Base interactions energy: -453.283
where: short stacking energy: -182.139
Base-Backbone interact. energy: -2.633
local terms energy: -191.445283
where:
bonds (distance) C4'-P energy: -36.352
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -38.640
flat angles P-C4'-P energy: -34.468
tors. eta vs tors. theta energy: -55.080
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: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -629.059574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.059574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.059574 (E_RNA)
where:
Base-Base interactions energy: -422.766
where: short stacking energy: -199.597
Base-Backbone interact. energy: -2.011
local terms energy: -204.283118
where:
bonds (distance) C4'-P energy: -37.006
bonds (distance) P-C4' energy: -37.333
flat angles C4'-P-C4' energy: -47.182
flat angles P-C4'-P energy: -29.517
tors. eta vs tors. theta energy: -53.244
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: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -571.203372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.203372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.203372 (E_RNA)
where:
Base-Base interactions energy: -374.298
where: short stacking energy: -169.417
Base-Backbone interact. energy: -0.481
local terms energy: -196.425258
where:
bonds (distance) C4'-P energy: -42.309
bonds (distance) P-C4' energy: -40.270
flat angles C4'-P-C4' energy: -36.048
flat angles P-C4'-P energy: -32.401
tors. eta vs tors. theta energy: -45.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -552.070445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.070445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.070445 (E_RNA)
where:
Base-Base interactions energy: -381.378
where: short stacking energy: -159.170
Base-Backbone interact. energy: -0.438
local terms energy: -170.254000
where:
bonds (distance) C4'-P energy: -39.175
bonds (distance) P-C4' energy: -31.472
flat angles C4'-P-C4' energy: -36.440
flat angles P-C4'-P energy: -28.158
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: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -509.950781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.950781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.950781 (E_RNA)
where:
Base-Base interactions energy: -328.791
where: short stacking energy: -152.549
Base-Backbone interact. energy: -0.548
local terms energy: -180.610930
where:
bonds (distance) C4'-P energy: -31.716
bonds (distance) P-C4' energy: -42.520
flat angles C4'-P-C4' energy: -36.783
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: -38.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -445.307888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.307888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.307888 (E_RNA)
where:
Base-Base interactions energy: -287.904
where: short stacking energy: -126.506
Base-Backbone interact. energy: -0.478
local terms energy: -156.925794
where:
bonds (distance) C4'-P energy: -30.449
bonds (distance) P-C4' energy: -25.094
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -30.465
tors. eta vs tors. theta energy: -35.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -399.992566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.992566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.992566 (E_RNA)
where:
Base-Base interactions energy: -249.120
where: short stacking energy: -123.338
Base-Backbone interact. energy: -0.323
local terms energy: -150.550209
where:
bonds (distance) C4'-P energy: -30.807
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -37.351
flat angles P-C4'-P energy: -25.423
tors. eta vs tors. theta energy: -27.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -311.128741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.128741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.128741 (E_RNA)
where:
Base-Base interactions energy: -177.153
where: short stacking energy: -93.458
Base-Backbone interact. energy: -0.133
local terms energy: -133.842492
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -42.076
flat angles C4'-P-C4' energy: -29.238
flat angles P-C4'-P energy: -22.454
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -204.382555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.382555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.382555 (E_RNA)
where:
Base-Base interactions energy: -92.372
where: short stacking energy: -65.575
Base-Backbone interact. energy: 1.703
local terms energy: -113.713717
where:
bonds (distance) C4'-P energy: -34.911
bonds (distance) P-C4' energy: -32.350
flat angles C4'-P-C4' energy: -32.244
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: 2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -259.649491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.649491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.649491 (E_RNA)
where:
Base-Base interactions energy: -131.463
where: short stacking energy: -62.366
Base-Backbone interact. energy: -0.054
local terms energy: -128.132909
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -38.091
flat angles C4'-P-C4' energy: -37.463
flat angles P-C4'-P energy: -18.809
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -638.453986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.453986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.453986 (E_RNA)
where:
Base-Base interactions energy: -434.690
where: short stacking energy: -187.570
Base-Backbone interact. energy: 0.944
local terms energy: -204.707775
where:
bonds (distance) C4'-P energy: -40.922
bonds (distance) P-C4' energy: -39.075
flat angles C4'-P-C4' energy: -44.066
flat angles P-C4'-P energy: -27.955
tors. eta vs tors. theta energy: -52.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -619.168015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.168015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.168015 (E_RNA)
where:
Base-Base interactions energy: -408.770
where: short stacking energy: -188.563
Base-Backbone interact. energy: -0.880
local terms energy: -209.517718
where:
bonds (distance) C4'-P energy: -37.868
bonds (distance) P-C4' energy: -44.631
flat angles C4'-P-C4' energy: -39.281
flat angles P-C4'-P energy: -30.083
tors. eta vs tors. theta energy: -57.655
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: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -558.856357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.856357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.856357 (E_RNA)
where:
Base-Base interactions energy: -362.323
where: short stacking energy: -173.563
Base-Backbone interact. energy: -0.874
local terms energy: -195.659666
where:
bonds (distance) C4'-P energy: -38.256
bonds (distance) P-C4' energy: -41.873
flat angles C4'-P-C4' energy: -36.495
flat angles P-C4'-P energy: -28.994
tors. eta vs tors. theta energy: -50.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -553.420404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.420404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.420404 (E_RNA)
where:
Base-Base interactions energy: -372.363
where: short stacking energy: -148.713
Base-Backbone interact. energy: -1.558
local terms energy: -179.499929
where:
bonds (distance) C4'-P energy: -36.462
bonds (distance) P-C4' energy: -37.688
flat angles C4'-P-C4' energy: -41.379
flat angles P-C4'-P energy: -28.088
tors. eta vs tors. theta energy: -35.883
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: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -499.469392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.469392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.469392 (E_RNA)
where:
Base-Base interactions energy: -329.823
where: short stacking energy: -143.648
Base-Backbone interact. energy: 0.171
local terms energy: -169.817021
where:
bonds (distance) C4'-P energy: -35.386
bonds (distance) P-C4' energy: -35.223
flat angles C4'-P-C4' energy: -35.096
flat angles P-C4'-P energy: -29.468
tors. eta vs tors. theta energy: -34.644
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: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -438.030811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.030811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.030811 (E_RNA)
where:
Base-Base interactions energy: -277.098
where: short stacking energy: -140.796
Base-Backbone interact. energy: -0.517
local terms energy: -160.416463
where:
bonds (distance) C4'-P energy: -27.801
bonds (distance) P-C4' energy: -38.729
flat angles C4'-P-C4' energy: -35.460
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -37.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -427.062316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.062316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.062316 (E_RNA)
where:
Base-Base interactions energy: -261.189
where: short stacking energy: -136.398
Base-Backbone interact. energy: -0.729
local terms energy: -165.143896
where:
bonds (distance) C4'-P energy: -25.409
bonds (distance) P-C4' energy: -37.830
flat angles C4'-P-C4' energy: -40.744
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -38.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -283.061072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.061072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.061072 (E_RNA)
where:
Base-Base interactions energy: -151.351
where: short stacking energy: -78.739
Base-Backbone interact. energy: -0.580
local terms energy: -131.130100
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -41.411
flat angles C4'-P-C4' energy: -36.489
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -11.728
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: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -193.581259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.581259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.581259 (E_RNA)
where:
Base-Base interactions energy: -78.717
where: short stacking energy: -55.999
Base-Backbone interact. energy: -1.228
local terms energy: -113.636164
where:
bonds (distance) C4'-P energy: -30.400
bonds (distance) P-C4' energy: -36.008
flat angles C4'-P-C4' energy: -32.574
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -0.371
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: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -253.509344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.509344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.509344 (E_RNA)
where:
Base-Base interactions energy: -143.972
where: short stacking energy: -62.747
Base-Backbone interact. energy: 1.462
local terms energy: -110.999387
where:
bonds (distance) C4'-P energy: -30.405
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -21.284
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -648.028566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.028566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.028566 (E_RNA)
where:
Base-Base interactions energy: -441.649
where: short stacking energy: -180.641
Base-Backbone interact. energy: 2.371
local terms energy: -208.750690
where:
bonds (distance) C4'-P energy: -42.916
bonds (distance) P-C4' energy: -42.407
flat angles C4'-P-C4' energy: -41.592
flat angles P-C4'-P energy: -29.320
tors. eta vs tors. theta energy: -52.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -599.067123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.067123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.067123 (E_RNA)
where:
Base-Base interactions energy: -408.028
where: short stacking energy: -176.083
Base-Backbone interact. energy: -0.745
local terms energy: -190.293563
where:
bonds (distance) C4'-P energy: -42.465
bonds (distance) P-C4' energy: -26.123
flat angles C4'-P-C4' energy: -42.096
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: -49.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -574.498829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.498829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.498829 (E_RNA)
where:
Base-Base interactions energy: -385.567
where: short stacking energy: -178.843
Base-Backbone interact. energy: -0.826
local terms energy: -188.106330
where:
bonds (distance) C4'-P energy: -37.277
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -25.366
tors. eta vs tors. theta energy: -44.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -562.409940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.409940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.409940 (E_RNA)
where:
Base-Base interactions energy: -382.504
where: short stacking energy: -157.062
Base-Backbone interact. energy: -0.340
local terms energy: -179.565477
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -45.243
flat angles C4'-P-C4' energy: -37.151
flat angles P-C4'-P energy: -27.932
tors. eta vs tors. theta energy: -41.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -468.576161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.576161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.576161 (E_RNA)
where:
Base-Base interactions energy: -302.205
where: short stacking energy: -136.567
Base-Backbone interact. energy: -0.146
local terms energy: -166.224911
where:
bonds (distance) C4'-P energy: -35.552
bonds (distance) P-C4' energy: -33.147
flat angles C4'-P-C4' energy: -34.609
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -39.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -506.837587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.837587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.837587 (E_RNA)
where:
Base-Base interactions energy: -342.845
where: short stacking energy: -151.987
Base-Backbone interact. energy: -0.086
local terms energy: -163.907056
where:
bonds (distance) C4'-P energy: -25.901
bonds (distance) P-C4' energy: -39.935
flat angles C4'-P-C4' energy: -32.118
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: -41.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -423.966817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.966817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.966817 (E_RNA)
where:
Base-Base interactions energy: -259.134
where: short stacking energy: -108.950
Base-Backbone interact. energy: -0.148
local terms energy: -164.684811
where:
bonds (distance) C4'-P energy: -36.787
bonds (distance) P-C4' energy: -35.489
flat angles C4'-P-C4' energy: -33.529
flat angles P-C4'-P energy: -27.214
tors. eta vs tors. theta energy: -31.666
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: 106
Temperature: 1.250000
Total energy: -286.739896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.739896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.739896 (E_RNA)
where:
Base-Base interactions energy: -160.084
where: short stacking energy: -69.997
Base-Backbone interact. energy: -0.694
local terms energy: -125.961545
where:
bonds (distance) C4'-P energy: -35.880
bonds (distance) P-C4' energy: -41.214
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -11.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -260.956789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.956789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.956789 (E_RNA)
where:
Base-Base interactions energy: -142.816
where: short stacking energy: -89.744
Base-Backbone interact. energy: -0.507
local terms energy: -117.633843
where:
bonds (distance) C4'-P energy: -30.767
bonds (distance) P-C4' energy: -26.133
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -13.023
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: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -166.185623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.185623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.185623 (E_RNA)
where:
Base-Base interactions energy: -61.102
where: short stacking energy: -42.500
Base-Backbone interact. energy: -0.037
local terms energy: -105.046104
where:
bonds (distance) C4'-P energy: -28.133
bonds (distance) P-C4' energy: -33.573
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: 1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -635.627656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.627656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.627656 (E_RNA)
where:
Base-Base interactions energy: -437.300
where: short stacking energy: -169.135
Base-Backbone interact. energy: -1.394
local terms energy: -196.934149
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -44.031
flat angles C4'-P-C4' energy: -34.093
flat angles P-C4'-P energy: -29.975
tors. eta vs tors. theta energy: -52.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -595.678781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.678781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.678781 (E_RNA)
where:
Base-Base interactions energy: -394.574
where: short stacking energy: -170.687
Base-Backbone interact. energy: -2.353
local terms energy: -198.752176
where:
bonds (distance) C4'-P energy: -44.740
bonds (distance) P-C4' energy: -42.683
flat angles C4'-P-C4' energy: -39.781
flat angles P-C4'-P energy: -25.338
tors. eta vs tors. theta energy: -46.210
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: 107
Temperature: 1.000000
Total energy: -559.655318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.655318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.655318 (E_RNA)
where:
Base-Base interactions energy: -371.711
where: short stacking energy: -166.814
Base-Backbone interact. energy: -0.854
local terms energy: -187.089741
where:
bonds (distance) C4'-P energy: -35.042
bonds (distance) P-C4' energy: -37.265
flat angles C4'-P-C4' energy: -39.153
flat angles P-C4'-P energy: -27.715
tors. eta vs tors. theta energy: -47.914
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: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -555.499286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.499286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.499286 (E_RNA)
where:
Base-Base interactions energy: -381.430
where: short stacking energy: -149.541
Base-Backbone interact. energy: -1.535
local terms energy: -172.533346
where:
bonds (distance) C4'-P energy: -31.700
bonds (distance) P-C4' energy: -39.417
flat angles C4'-P-C4' energy: -38.951
flat angles P-C4'-P energy: -25.877
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: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -471.989745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.989745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.989745 (E_RNA)
where:
Base-Base interactions energy: -299.438
where: short stacking energy: -141.114
Base-Backbone interact. energy: -0.384
local terms energy: -172.167429
where:
bonds (distance) C4'-P energy: -33.466
bonds (distance) P-C4' energy: -38.556
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -26.662
tors. eta vs tors. theta energy: -42.402
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: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -521.536853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.536853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.536853 (E_RNA)
where:
Base-Base interactions energy: -350.732
where: short stacking energy: -152.435
Base-Backbone interact. energy: -0.742
local terms energy: -170.062259
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -40.177
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -40.432
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: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -410.787186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.787186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.787186 (E_RNA)
where:
Base-Base interactions energy: -257.054
where: short stacking energy: -113.887
Base-Backbone interact. energy: -0.586
local terms energy: -153.146729
where:
bonds (distance) C4'-P energy: -28.758
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -31.208
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: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -274.493615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.493615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.493615 (E_RNA)
where:
Base-Base interactions energy: -148.142
where: short stacking energy: -87.552
Base-Backbone interact. energy: -0.429
local terms energy: -125.923162
where:
bonds (distance) C4'-P energy: -30.819
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: -14.384
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: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -252.248028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.248028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.248028 (E_RNA)
where:
Base-Base interactions energy: -127.796
where: short stacking energy: -60.309
Base-Backbone interact. energy: 2.620
local terms energy: -127.072021
where:
bonds (distance) C4'-P energy: -38.371
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -38.497
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -173.366840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.366840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.366840 (E_RNA)
where:
Base-Base interactions energy: -75.543
where: short stacking energy: -66.218
Base-Backbone interact. energy: 1.394
local terms energy: -99.217230
where:
bonds (distance) C4'-P energy: -30.646
bonds (distance) P-C4' energy: -32.417
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -657.825399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.825399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.825399 (E_RNA)
where:
Base-Base interactions energy: -459.002
where: short stacking energy: -187.287
Base-Backbone interact. energy: 0.407
local terms energy: -199.230004
where:
bonds (distance) C4'-P energy: -40.294
bonds (distance) P-C4' energy: -38.767
flat angles C4'-P-C4' energy: -36.181
flat angles P-C4'-P energy: -25.951
tors. eta vs tors. theta energy: -58.036
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: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -606.390488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.390488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.390488 (E_RNA)
where:
Base-Base interactions energy: -402.678
where: short stacking energy: -179.260
Base-Backbone interact. energy: -1.444
local terms energy: -202.268382
where:
bonds (distance) C4'-P energy: -38.516
bonds (distance) P-C4' energy: -41.631
flat angles C4'-P-C4' energy: -41.021
flat angles P-C4'-P energy: -29.773
tors. eta vs tors. theta energy: -51.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -549.082737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.082737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.082737 (E_RNA)
where:
Base-Base interactions energy: -361.680
where: short stacking energy: -177.868
Base-Backbone interact. energy: -0.080
local terms energy: -187.322946
where:
bonds (distance) C4'-P energy: -42.016
bonds (distance) P-C4' energy: -36.315
flat angles C4'-P-C4' energy: -39.778
flat angles P-C4'-P energy: -22.379
tors. eta vs tors. theta energy: -46.835
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: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -548.949757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.949757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.949757 (E_RNA)
where:
Base-Base interactions energy: -376.944
where: short stacking energy: -153.899
Base-Backbone interact. energy: -1.831
local terms energy: -170.174996
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -36.444
flat angles C4'-P-C4' energy: -32.756
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -44.943
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: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -483.742652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.742652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.742652 (E_RNA)
where:
Base-Base interactions energy: -303.194
where: short stacking energy: -140.699
Base-Backbone interact. energy: -0.924
local terms energy: -179.624682
where:
bonds (distance) C4'-P energy: -34.774
bonds (distance) P-C4' energy: -37.777
flat angles C4'-P-C4' energy: -40.065
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -35.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -515.163157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.163157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.163157 (E_RNA)
where:
Base-Base interactions energy: -320.777
where: short stacking energy: -159.815
Base-Backbone interact. energy: -0.655
local terms energy: -193.730676
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -41.913
flat angles C4'-P-C4' energy: -44.524
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -51.809
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: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -405.597856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.597856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.597856 (E_RNA)
where:
Base-Base interactions energy: -253.473
where: short stacking energy: -116.731
Base-Backbone interact. energy: -1.016
local terms energy: -151.108861
where:
bonds (distance) C4'-P energy: -34.661
bonds (distance) P-C4' energy: -38.015
flat angles C4'-P-C4' energy: -30.626
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -28.490
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: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -270.511231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.511231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.511231 (E_RNA)
where:
Base-Base interactions energy: -138.498
where: short stacking energy: -80.413
Base-Backbone interact. energy: 0.008
local terms energy: -132.021698
where:
bonds (distance) C4'-P energy: -30.673
bonds (distance) P-C4' energy: -37.693
flat angles C4'-P-C4' energy: -30.336
flat angles P-C4'-P energy: -26.454
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -243.406561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.406561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.406561 (E_RNA)
where:
Base-Base interactions energy: -125.351
where: short stacking energy: -71.448
Base-Backbone interact. energy: -0.056
local terms energy: -117.999453
where:
bonds (distance) C4'-P energy: -38.810
bonds (distance) P-C4' energy: -33.684
flat angles C4'-P-C4' energy: -28.465
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -171.152485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.152485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.152485 (E_RNA)
where:
Base-Base interactions energy: -58.690
where: short stacking energy: -53.367
Base-Backbone interact. energy: -0.239
local terms energy: -112.223524
where:
bonds (distance) C4'-P energy: -37.530
bonds (distance) P-C4' energy: -39.900
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: 10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -637.358236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.358236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.358236 (E_RNA)
where:
Base-Base interactions energy: -434.254
where: short stacking energy: -177.700
Base-Backbone interact. energy: -0.078
local terms energy: -203.026123
where:
bonds (distance) C4'-P energy: -37.565
bonds (distance) P-C4' energy: -36.962
flat angles C4'-P-C4' energy: -42.280
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -51.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -608.506717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.506717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.506717 (E_RNA)
where:
Base-Base interactions energy: -407.896
where: short stacking energy: -181.306
Base-Backbone interact. energy: -1.358
local terms energy: -199.252167
where:
bonds (distance) C4'-P energy: -36.931
bonds (distance) P-C4' energy: -41.789
flat angles C4'-P-C4' energy: -40.097
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -55.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -586.769941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.769941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.769941 (E_RNA)
where:
Base-Base interactions energy: -398.987
where: short stacking energy: -177.967
Base-Backbone interact. energy: -0.638
local terms energy: -187.145021
where:
bonds (distance) C4'-P energy: -37.378
bonds (distance) P-C4' energy: -33.242
flat angles C4'-P-C4' energy: -41.071
flat angles P-C4'-P energy: -26.986
tors. eta vs tors. theta energy: -48.468
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: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -558.071817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.071817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.071817 (E_RNA)
where:
Base-Base interactions energy: -386.997
where: short stacking energy: -151.091
Base-Backbone interact. energy: -0.168
local terms energy: -170.907098
where:
bonds (distance) C4'-P energy: -26.058
bonds (distance) P-C4' energy: -39.072
flat angles C4'-P-C4' energy: -41.619
flat angles P-C4'-P energy: -22.535
tors. eta vs tors. theta energy: -41.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -502.484013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.484013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.484013 (E_RNA)
where:
Base-Base interactions energy: -327.795
where: short stacking energy: -151.940
Base-Backbone interact. energy: -1.088
local terms energy: -173.600506
where:
bonds (distance) C4'-P energy: -32.709
bonds (distance) P-C4' energy: -36.914
flat angles C4'-P-C4' energy: -43.826
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: -33.393
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: 109
Temperature: 1.150000
Total energy: -435.642659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.642659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.642659 (E_RNA)
where:
Base-Base interactions energy: -269.102
where: short stacking energy: -129.342
Base-Backbone interact. energy: -0.321
local terms energy: -166.219622
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -38.946
flat angles C4'-P-C4' energy: -37.432
flat angles P-C4'-P energy: -25.925
tors. eta vs tors. theta energy: -36.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -430.274752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.274752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.274752 (E_RNA)
where:
Base-Base interactions energy: -259.831
where: short stacking energy: -110.873
Base-Backbone interact. energy: -0.091
local terms energy: -170.352336
where:
bonds (distance) C4'-P energy: -38.574
bonds (distance) P-C4' energy: -36.747
flat angles C4'-P-C4' energy: -39.591
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -269.925733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.925733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.925733 (E_RNA)
where:
Base-Base interactions energy: -142.936
where: short stacking energy: -85.813
Base-Backbone interact. energy: -1.268
local terms energy: -125.721213
where:
bonds (distance) C4'-P energy: -30.550
bonds (distance) P-C4' energy: -36.706
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -260.501158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.501158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.501158 (E_RNA)
where:
Base-Base interactions energy: -148.570
where: short stacking energy: -79.328
Base-Backbone interact. energy: 0.355
local terms energy: -112.286589
where:
bonds (distance) C4'-P energy: -25.224
bonds (distance) P-C4' energy: -33.452
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -9.910
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: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -206.229006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.229006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.229006 (E_RNA)
where:
Base-Base interactions energy: -75.590
where: short stacking energy: -51.055
Base-Backbone interact. energy: -0.893
local terms energy: -129.745963
where:
bonds (distance) C4'-P energy: -38.263
bonds (distance) P-C4' energy: -28.492
flat angles C4'-P-C4' energy: -31.948
flat angles P-C4'-P energy: -27.015
tors. eta vs tors. theta energy: -4.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -638.365857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.365857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.365857 (E_RNA)
where:
Base-Base interactions energy: -438.410
where: short stacking energy: -186.686
Base-Backbone interact. energy: -1.368
local terms energy: -198.587695
where:
bonds (distance) C4'-P energy: -40.713
bonds (distance) P-C4' energy: -37.303
flat angles C4'-P-C4' energy: -40.826
flat angles P-C4'-P energy: -27.573
tors. eta vs tors. theta energy: -52.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -575.068929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.068929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.068929 (E_RNA)
where:
Base-Base interactions energy: -408.339
where: short stacking energy: -161.660
Base-Backbone interact. energy: -1.390
local terms energy: -165.339837
where:
bonds (distance) C4'-P energy: -39.156
bonds (distance) P-C4' energy: -33.828
flat angles C4'-P-C4' energy: -36.471
flat angles P-C4'-P energy: -16.512
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: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -587.747498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.747498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.747498 (E_RNA)
where:
Base-Base interactions energy: -387.068
where: short stacking energy: -177.157
Base-Backbone interact. energy: -1.506
local terms energy: -199.173990
where:
bonds (distance) C4'-P energy: -38.687
bonds (distance) P-C4' energy: -38.482
flat angles C4'-P-C4' energy: -42.498
flat angles P-C4'-P energy: -26.619
tors. eta vs tors. theta energy: -52.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -555.420862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.420862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.420862 (E_RNA)
where:
Base-Base interactions energy: -383.772
where: short stacking energy: -161.064
Base-Backbone interact. energy: -1.343
local terms energy: -170.305085
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -39.352
flat angles C4'-P-C4' energy: -42.749
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -41.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -545.568031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.568031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.568031 (E_RNA)
where:
Base-Base interactions energy: -362.734
where: short stacking energy: -155.200
Base-Backbone interact. energy: -0.218
local terms energy: -182.616023
where:
bonds (distance) C4'-P energy: -38.182
bonds (distance) P-C4' energy: -34.321
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -31.235
tors. eta vs tors. theta energy: -41.448
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: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -455.829712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.829712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.829712 (E_RNA)
where:
Base-Base interactions energy: -290.607
where: short stacking energy: -132.441
Base-Backbone interact. energy: -0.535
local terms energy: -164.687780
where:
bonds (distance) C4'-P energy: -31.511
bonds (distance) P-C4' energy: -32.725
flat angles C4'-P-C4' energy: -37.025
flat angles P-C4'-P energy: -25.911
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: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -417.678842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.678842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.678842 (E_RNA)
where:
Base-Base interactions energy: -248.323
where: short stacking energy: -118.956
Base-Backbone interact. energy: -1.128
local terms energy: -168.227849
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -35.010
flat angles C4'-P-C4' energy: -39.255
flat angles P-C4'-P energy: -33.452
tors. eta vs tors. theta energy: -30.792
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: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -265.571278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.571278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.571278 (E_RNA)
where:
Base-Base interactions energy: -146.597
where: short stacking energy: -77.900
Base-Backbone interact. energy: -1.326
local terms energy: -117.648738
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -44.208
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -258.682077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.682077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.682077 (E_RNA)
where:
Base-Base interactions energy: -138.835
where: short stacking energy: -71.813
Base-Backbone interact. energy: -0.270
local terms energy: -119.577109
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -39.669
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -5.193
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: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -186.988740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.988740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.988740 (E_RNA)
where:
Base-Base interactions energy: -92.226
where: short stacking energy: -35.038
Base-Backbone interact. energy: -3.108
local terms energy: -91.654150
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -36.408
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: 13.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -646.994466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.994466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.994466 (E_RNA)
where:
Base-Base interactions energy: -443.387
where: short stacking energy: -179.513
Base-Backbone interact. energy: -2.175
local terms energy: -201.432738
where:
bonds (distance) C4'-P energy: -34.706
bonds (distance) P-C4' energy: -44.920
flat angles C4'-P-C4' energy: -36.298
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: -60.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -597.867745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.867745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.867745 (E_RNA)
where:
Base-Base interactions energy: -407.071
where: short stacking energy: -186.913
Base-Backbone interact. energy: -0.513
local terms energy: -190.283798
where:
bonds (distance) C4'-P energy: -40.326
bonds (distance) P-C4' energy: -36.712
flat angles C4'-P-C4' energy: -39.053
flat angles P-C4'-P energy: -23.440
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: 111
Temperature: 1.000000
Total energy: -581.755804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.755804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.755804 (E_RNA)
where:
Base-Base interactions energy: -385.766
where: short stacking energy: -172.500
Base-Backbone interact. energy: -1.785
local terms energy: -194.204781
where:
bonds (distance) C4'-P energy: -38.244
bonds (distance) P-C4' energy: -41.553
flat angles C4'-P-C4' energy: -41.640
flat angles P-C4'-P energy: -25.350
tors. eta vs tors. theta energy: -47.417
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: 111
Temperature: 1.050000
Total energy: -540.930915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.930915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.930915 (E_RNA)
where:
Base-Base interactions energy: -372.466
where: short stacking energy: -146.404
Base-Backbone interact. energy: -0.643
local terms energy: -167.822587
where:
bonds (distance) C4'-P energy: -37.493
bonds (distance) P-C4' energy: -32.867
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -28.726
tors. eta vs tors. theta energy: -37.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -536.342935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.342935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.342935 (E_RNA)
where:
Base-Base interactions energy: -348.087
where: short stacking energy: -148.634
Base-Backbone interact. energy: -0.441
local terms energy: -187.815283
where:
bonds (distance) C4'-P energy: -39.005
bonds (distance) P-C4' energy: -38.758
flat angles C4'-P-C4' energy: -42.524
flat angles P-C4'-P energy: -23.578
tors. eta vs tors. theta energy: -43.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -469.947631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.947631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.947631 (E_RNA)
where:
Base-Base interactions energy: -304.317
where: short stacking energy: -128.952
Base-Backbone interact. energy: -3.418
local terms energy: -162.213276
where:
bonds (distance) C4'-P energy: -33.333
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -36.637
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -35.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -388.752086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.752086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.752086 (E_RNA)
where:
Base-Base interactions energy: -221.883
where: short stacking energy: -99.154
Base-Backbone interact. energy: -0.783
local terms energy: -166.086127
where:
bonds (distance) C4'-P energy: -32.832
bonds (distance) P-C4' energy: -37.979
flat angles C4'-P-C4' energy: -37.904
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: -30.208
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: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -266.441997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.441997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.441997 (E_RNA)
where:
Base-Base interactions energy: -133.281
where: short stacking energy: -65.905
Base-Backbone interact. energy: -1.263
local terms energy: -131.898265
where:
bonds (distance) C4'-P energy: -36.585
bonds (distance) P-C4' energy: -33.342
flat angles C4'-P-C4' energy: -34.643
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -257.814365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.814365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.814365 (E_RNA)
where:
Base-Base interactions energy: -137.204
where: short stacking energy: -66.889
Base-Backbone interact. energy: 1.840
local terms energy: -122.449479
where:
bonds (distance) C4'-P energy: -32.787
bonds (distance) P-C4' energy: -43.025
flat angles C4'-P-C4' energy: -35.831
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: 0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -163.529050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.529050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.529050 (E_RNA)
where:
Base-Base interactions energy: -62.818
where: short stacking energy: -50.438
Base-Backbone interact. energy: 1.421
local terms energy: -102.131899
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -34.821
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -19.069
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: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -627.027509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.027509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.027509 (E_RNA)
where:
Base-Base interactions energy: -434.704
where: short stacking energy: -197.483
Base-Backbone interact. energy: -0.275
local terms energy: -192.048505
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -31.394
flat angles C4'-P-C4' energy: -41.331
flat angles P-C4'-P energy: -31.356
tors. eta vs tors. theta energy: -56.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -611.705037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.705037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.705037 (E_RNA)
where:
Base-Base interactions energy: -418.642
where: short stacking energy: -194.585
Base-Backbone interact. energy: -0.574
local terms energy: -192.489147
where:
bonds (distance) C4'-P energy: -34.133
bonds (distance) P-C4' energy: -40.209
flat angles C4'-P-C4' energy: -38.542
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: -50.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -543.626452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.626452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.626452 (E_RNA)
where:
Base-Base interactions energy: -356.441
where: short stacking energy: -146.245
Base-Backbone interact. energy: -0.712
local terms energy: -186.472777
where:
bonds (distance) C4'-P energy: -42.292
bonds (distance) P-C4' energy: -33.733
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -28.874
tors. eta vs tors. theta energy: -47.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -539.239426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.239426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.239426 (E_RNA)
where:
Base-Base interactions energy: -376.959
where: short stacking energy: -147.225
Base-Backbone interact. energy: -2.484
local terms energy: -159.796216
where:
bonds (distance) C4'-P energy: -32.729
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -34.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -521.323785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.323785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.323785 (E_RNA)
where:
Base-Base interactions energy: -349.170
where: short stacking energy: -161.668
Base-Backbone interact. energy: -0.910
local terms energy: -171.244338
where:
bonds (distance) C4'-P energy: -30.975
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -38.024
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -48.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -446.881371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.881371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.881371 (E_RNA)
where:
Base-Base interactions energy: -288.287
where: short stacking energy: -138.006
Base-Backbone interact. energy: -0.727
local terms energy: -157.866692
where:
bonds (distance) C4'-P energy: -34.807
bonds (distance) P-C4' energy: -31.197
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -22.835
tors. eta vs tors. theta energy: -34.823
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: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -363.838254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.838254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.838254 (E_RNA)
where:
Base-Base interactions energy: -211.520
where: short stacking energy: -106.335
Base-Backbone interact. energy: -0.635
local terms energy: -151.682703
where:
bonds (distance) C4'-P energy: -34.073
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -27.326
tors. eta vs tors. theta energy: -20.930
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: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -297.229632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.229632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.229632 (E_RNA)
where:
Base-Base interactions energy: -165.490
where: short stacking energy: -93.327
Base-Backbone interact. energy: -0.748
local terms energy: -130.992102
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -37.045
flat angles C4'-P-C4' energy: -33.071
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -8.131
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: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -268.830259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.830259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.830259 (E_RNA)
where:
Base-Base interactions energy: -139.666
where: short stacking energy: -74.643
Base-Backbone interact. energy: 0.473
local terms energy: -129.636833
where:
bonds (distance) C4'-P energy: -32.895
bonds (distance) P-C4' energy: -38.006
flat angles C4'-P-C4' energy: -38.862
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -7.707
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: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -168.327225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.327225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.327225 (E_RNA)
where:
Base-Base interactions energy: -53.500
where: short stacking energy: -45.261
Base-Backbone interact. energy: -1.280
local terms energy: -113.547514
where:
bonds (distance) C4'-P energy: -35.507
bonds (distance) P-C4' energy: -34.932
flat angles C4'-P-C4' energy: -31.231
flat angles P-C4'-P energy: -24.327
tors. eta vs tors. theta energy: 12.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -624.299453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.299453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.299453 (E_RNA)
where:
Base-Base interactions energy: -409.372
where: short stacking energy: -177.424
Base-Backbone interact. energy: -0.781
local terms energy: -214.146524
where:
bonds (distance) C4'-P energy: -43.109
bonds (distance) P-C4' energy: -42.202
flat angles C4'-P-C4' energy: -45.187
flat angles P-C4'-P energy: -29.128
tors. eta vs tors. theta energy: -54.521
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: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -588.758197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.758197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.758197 (E_RNA)
where:
Base-Base interactions energy: -399.875
where: short stacking energy: -179.925
Base-Backbone interact. energy: -1.020
local terms energy: -187.863103
where:
bonds (distance) C4'-P energy: -34.754
bonds (distance) P-C4' energy: -38.694
flat angles C4'-P-C4' energy: -38.024
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -52.385
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: 113
Temperature: 1.000000
Total energy: -565.412173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.412173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.412173 (E_RNA)
where:
Base-Base interactions energy: -381.329
where: short stacking energy: -167.784
Base-Backbone interact. energy: 0.711
local terms energy: -184.793873
where:
bonds (distance) C4'-P energy: -35.400
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -40.524
flat angles P-C4'-P energy: -31.116
tors. eta vs tors. theta energy: -43.956
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: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -553.498901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.498901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.498901 (E_RNA)
where:
Base-Base interactions energy: -381.559
where: short stacking energy: -147.829
Base-Backbone interact. energy: -0.342
local terms energy: -171.598477
where:
bonds (distance) C4'-P energy: -32.313
bonds (distance) P-C4' energy: -38.884
flat angles C4'-P-C4' energy: -39.334
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -37.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -532.673971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.673971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.673971 (E_RNA)
where:
Base-Base interactions energy: -354.543
where: short stacking energy: -159.062
Base-Backbone interact. energy: -0.214
local terms energy: -177.917203
where:
bonds (distance) C4'-P energy: -36.293
bonds (distance) P-C4' energy: -35.172
flat angles C4'-P-C4' energy: -39.580
flat angles P-C4'-P energy: -23.811
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: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -383.447526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.447526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.447526 (E_RNA)
where:
Base-Base interactions energy: -235.559
where: short stacking energy: -126.691
Base-Backbone interact. energy: -0.500
local terms energy: -147.388181
where:
bonds (distance) C4'-P energy: -28.884
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -32.426
flat angles P-C4'-P energy: -24.347
tors. eta vs tors. theta energy: -26.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -432.454598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.454598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.454598 (E_RNA)
where:
Base-Base interactions energy: -264.592
where: short stacking energy: -127.902
Base-Backbone interact. energy: -0.478
local terms energy: -167.384852
where:
bonds (distance) C4'-P energy: -37.488
bonds (distance) P-C4' energy: -36.029
flat angles C4'-P-C4' energy: -35.363
flat angles P-C4'-P energy: -25.884
tors. eta vs tors. theta energy: -32.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -276.902713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.902713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.902713 (E_RNA)
where:
Base-Base interactions energy: -148.835
where: short stacking energy: -76.392
Base-Backbone interact. energy: 0.708
local terms energy: -128.775864
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -32.200
flat angles P-C4'-P energy: -21.991
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -269.288082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.288082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.288082 (E_RNA)
where:
Base-Base interactions energy: -146.090
where: short stacking energy: -78.984
Base-Backbone interact. energy: 1.245
local terms energy: -124.443018
where:
bonds (distance) C4'-P energy: -34.969
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -31.820
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -8.773
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: 113
Temperature: 1.350000
Total energy: -202.988352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.988352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.988352 (E_RNA)
where:
Base-Base interactions energy: -77.644
where: short stacking energy: -66.522
Base-Backbone interact. energy: -0.343
local terms energy: -125.001431
where:
bonds (distance) C4'-P energy: -29.130
bonds (distance) P-C4' energy: -34.070
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -6.679
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: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -624.887021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.887021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.887021 (E_RNA)
where:
Base-Base interactions energy: -419.911
where: short stacking energy: -186.773
Base-Backbone interact. energy: -3.300
local terms energy: -201.676163
where:
bonds (distance) C4'-P energy: -39.989
bonds (distance) P-C4' energy: -36.824
flat angles C4'-P-C4' energy: -39.501
flat angles P-C4'-P energy: -29.831
tors. eta vs tors. theta energy: -55.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -604.415817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.415817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.415817 (E_RNA)
where:
Base-Base interactions energy: -401.323
where: short stacking energy: -175.808
Base-Backbone interact. energy: -1.101
local terms energy: -201.991538
where:
bonds (distance) C4'-P energy: -41.212
bonds (distance) P-C4' energy: -44.649
flat angles C4'-P-C4' energy: -37.961
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -50.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -565.203931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.203931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.203931 (E_RNA)
where:
Base-Base interactions energy: -376.023
where: short stacking energy: -166.020
Base-Backbone interact. energy: 1.528
local terms energy: -190.709328
where:
bonds (distance) C4'-P energy: -37.704
bonds (distance) P-C4' energy: -40.516
flat angles C4'-P-C4' energy: -38.871
flat angles P-C4'-P energy: -29.768
tors. eta vs tors. theta energy: -43.850
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: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -570.355159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.355159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.355159 (E_RNA)
where:
Base-Base interactions energy: -380.513
where: short stacking energy: -163.189
Base-Backbone interact. energy: -1.442
local terms energy: -188.399838
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -35.608
flat angles C4'-P-C4' energy: -43.532
flat angles P-C4'-P energy: -31.488
tors. eta vs tors. theta energy: -50.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -526.728458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.728458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.728458 (E_RNA)
where:
Base-Base interactions energy: -350.112
where: short stacking energy: -164.810
Base-Backbone interact. energy: -1.114
local terms energy: -175.502846
where:
bonds (distance) C4'-P energy: -34.812
bonds (distance) P-C4' energy: -30.207
flat angles C4'-P-C4' energy: -38.721
flat angles P-C4'-P energy: -25.378
tors. eta vs tors. theta energy: -46.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -397.980279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.980279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.980279 (E_RNA)
where:
Base-Base interactions energy: -236.416
where: short stacking energy: -123.762
Base-Backbone interact. energy: -0.191
local terms energy: -161.373098
where:
bonds (distance) C4'-P energy: -36.326
bonds (distance) P-C4' energy: -31.928
flat angles C4'-P-C4' energy: -29.185
flat angles P-C4'-P energy: -27.365
tors. eta vs tors. theta energy: -36.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -389.563132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.563132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.563132 (E_RNA)
where:
Base-Base interactions energy: -251.366
where: short stacking energy: -118.029
Base-Backbone interact. energy: 0.253
local terms energy: -138.450220
where:
bonds (distance) C4'-P energy: -32.004
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -37.308
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -25.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -279.943449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.943449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.943449 (E_RNA)
where:
Base-Base interactions energy: -158.149
where: short stacking energy: -95.247
Base-Backbone interact. energy: -0.401
local terms energy: -121.393706
where:
bonds (distance) C4'-P energy: -36.209
bonds (distance) P-C4' energy: -32.047
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -14.903
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: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -241.788702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.788702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.788702 (E_RNA)
where:
Base-Base interactions energy: -134.792
where: short stacking energy: -80.425
Base-Backbone interact. energy: -0.723
local terms energy: -106.273299
where:
bonds (distance) C4'-P energy: -30.804
bonds (distance) P-C4' energy: -33.719
flat angles C4'-P-C4' energy: -30.111
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -178.524408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.524408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.524408 (E_RNA)
where:
Base-Base interactions energy: -64.517
where: short stacking energy: -53.561
Base-Backbone interact. energy: 0.266
local terms energy: -114.273753
where:
bonds (distance) C4'-P energy: -28.588
bonds (distance) P-C4' energy: -39.355
flat angles C4'-P-C4' energy: -25.527
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: 2.640
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: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -628.029033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.029033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.029033 (E_RNA)
where:
Base-Base interactions energy: -422.993
where: short stacking energy: -194.140
Base-Backbone interact. energy: -2.622
local terms energy: -202.414462
where:
bonds (distance) C4'-P energy: -41.865
bonds (distance) P-C4' energy: -36.154
flat angles C4'-P-C4' energy: -43.590
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -56.275
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: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -601.214883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.214883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.214883 (E_RNA)
where:
Base-Base interactions energy: -395.202
where: short stacking energy: -186.809
Base-Backbone interact. energy: -2.081
local terms energy: -203.932641
where:
bonds (distance) C4'-P energy: -40.683
bonds (distance) P-C4' energy: -38.716
flat angles C4'-P-C4' energy: -41.845
flat angles P-C4'-P energy: -29.012
tors. eta vs tors. theta energy: -53.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -533.077391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.077391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.077391 (E_RNA)
where:
Base-Base interactions energy: -358.228
where: short stacking energy: -148.211
Base-Backbone interact. energy: -1.658
local terms energy: -173.191090
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -40.862
flat angles C4'-P-C4' energy: -41.461
flat angles P-C4'-P energy: -29.140
tors. eta vs tors. theta energy: -28.445
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: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -557.581510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.581510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.581510 (E_RNA)
where:
Base-Base interactions energy: -369.357
where: short stacking energy: -161.374
Base-Backbone interact. energy: 0.190
local terms energy: -188.413961
where:
bonds (distance) C4'-P energy: -33.398
bonds (distance) P-C4' energy: -44.201
flat angles C4'-P-C4' energy: -35.390
flat angles P-C4'-P energy: -29.643
tors. eta vs tors. theta energy: -45.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -513.168499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.168499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.168499 (E_RNA)
where:
Base-Base interactions energy: -339.253
where: short stacking energy: -149.877
Base-Backbone interact. energy: -1.066
local terms energy: -172.849688
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -30.793
flat angles C4'-P-C4' energy: -37.730
flat angles P-C4'-P energy: -29.879
tors. eta vs tors. theta energy: -41.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -434.601029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.601029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.601029 (E_RNA)
where:
Base-Base interactions energy: -285.820
where: short stacking energy: -132.278
Base-Backbone interact. energy: -0.817
local terms energy: -147.964122
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -29.350
flat angles P-C4'-P energy: -21.962
tors. eta vs tors. theta energy: -37.851
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: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -403.633484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.633484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.633484 (E_RNA)
where:
Base-Base interactions energy: -256.298
where: short stacking energy: -112.883
Base-Backbone interact. energy: 1.118
local terms energy: -148.453757
where:
bonds (distance) C4'-P energy: -35.673
bonds (distance) P-C4' energy: -36.432
flat angles C4'-P-C4' energy: -35.270
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -30.393
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: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -272.217669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.217669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.217669 (E_RNA)
where:
Base-Base interactions energy: -145.139
where: short stacking energy: -84.194
Base-Backbone interact. energy: -1.198
local terms energy: -125.880701
where:
bonds (distance) C4'-P energy: -30.704
bonds (distance) P-C4' energy: -35.551
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -21.895
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: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -274.648568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.648568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.648568 (E_RNA)
where:
Base-Base interactions energy: -147.589
where: short stacking energy: -82.099
Base-Backbone interact. energy: -0.991
local terms energy: -126.068174
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -29.313
flat angles C4'-P-C4' energy: -35.603
flat angles P-C4'-P energy: -26.306
tors. eta vs tors. theta energy: -12.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -178.185674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.185674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.185674 (E_RNA)
where:
Base-Base interactions energy: -69.638
where: short stacking energy: -52.713
Base-Backbone interact. energy: 1.845
local terms energy: -110.392601
where:
bonds (distance) C4'-P energy: -33.225
bonds (distance) P-C4' energy: -32.654
flat angles C4'-P-C4' energy: -29.633
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: 1.276
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: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -604.320775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.320775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.320775 (E_RNA)
where:
Base-Base interactions energy: -407.814
where: short stacking energy: -184.281
Base-Backbone interact. energy: 0.999
local terms energy: -197.505607
where:
bonds (distance) C4'-P energy: -37.871
bonds (distance) P-C4' energy: -43.033
flat angles C4'-P-C4' energy: -41.242
flat angles P-C4'-P energy: -26.944
tors. eta vs tors. theta energy: -48.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -623.393283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.393283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.393283 (E_RNA)
where:
Base-Base interactions energy: -424.687
where: short stacking energy: -179.549
Base-Backbone interact. energy: -0.837
local terms energy: -197.868463
where:
bonds (distance) C4'-P energy: -37.780
bonds (distance) P-C4' energy: -35.594
flat angles C4'-P-C4' energy: -40.126
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -57.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -568.089757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.089757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.089757 (E_RNA)
where:
Base-Base interactions energy: -384.936
where: short stacking energy: -156.751
Base-Backbone interact. energy: -0.950
local terms energy: -182.203345
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -39.059
flat angles C4'-P-C4' energy: -42.932
flat angles P-C4'-P energy: -25.791
tors. eta vs tors. theta energy: -41.705
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: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -528.566609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.566609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.566609 (E_RNA)
where:
Base-Base interactions energy: -340.107
where: short stacking energy: -145.342
Base-Backbone interact. energy: -0.808
local terms energy: -187.652392
where:
bonds (distance) C4'-P energy: -37.993
bonds (distance) P-C4' energy: -39.956
flat angles C4'-P-C4' energy: -43.231
flat angles P-C4'-P energy: -31.671
tors. eta vs tors. theta energy: -34.801
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: 116
Temperature: 1.100000
Total energy: -511.013892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.013892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.013892 (E_RNA)
where:
Base-Base interactions energy: -330.672
where: short stacking energy: -150.144
Base-Backbone interact. energy: -1.241
local terms energy: -179.101572
where:
bonds (distance) C4'-P energy: -36.646
bonds (distance) P-C4' energy: -43.275
flat angles C4'-P-C4' energy: -41.144
flat angles P-C4'-P energy: -24.016
tors. eta vs tors. theta energy: -34.021
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: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -452.239286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.239286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.239286 (E_RNA)
where:
Base-Base interactions energy: -285.151
where: short stacking energy: -140.360
Base-Backbone interact. energy: -0.727
local terms energy: -166.361829
where:
bonds (distance) C4'-P energy: -36.724
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -39.865
flat angles P-C4'-P energy: -25.396
tors. eta vs tors. theta energy: -39.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -315.857093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.857093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.857093 (E_RNA)
where:
Base-Base interactions energy: -176.576
where: short stacking energy: -96.368
Base-Backbone interact. energy: -0.134
local terms energy: -139.146804
where:
bonds (distance) C4'-P energy: -35.476
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -30.209
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -380.450755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.450755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.450755 (E_RNA)
where:
Base-Base interactions energy: -218.197
where: short stacking energy: -97.019
Base-Backbone interact. energy: -0.679
local terms energy: -161.575241
where:
bonds (distance) C4'-P energy: -38.078
bonds (distance) P-C4' energy: -35.923
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -26.905
tors. eta vs tors. theta energy: -27.066
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: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -271.113452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.113452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.113452 (E_RNA)
where:
Base-Base interactions energy: -147.296
where: short stacking energy: -76.741
Base-Backbone interact. energy: -1.465
local terms energy: -122.351984
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -35.404
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: -12.859
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: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -157.322731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.322731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.322731 (E_RNA)
where:
Base-Base interactions energy: -55.237
where: short stacking energy: -41.469
Base-Backbone interact. energy: -0.412
local terms energy: -101.673660
where:
bonds (distance) C4'-P energy: -33.849
bonds (distance) P-C4' energy: -41.465
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: 8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -608.396086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.396086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.396086 (E_RNA)
where:
Base-Base interactions energy: -399.757
where: short stacking energy: -176.430
Base-Backbone interact. energy: -0.718
local terms energy: -207.920685
where:
bonds (distance) C4'-P energy: -39.612
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -45.118
flat angles P-C4'-P energy: -33.560
tors. eta vs tors. theta energy: -52.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -625.339954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.339954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.339954 (E_RNA)
where:
Base-Base interactions energy: -431.324
where: short stacking energy: -185.223
Base-Backbone interact. energy: -1.048
local terms energy: -192.967379
where:
bonds (distance) C4'-P energy: -41.837
bonds (distance) P-C4' energy: -36.493
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -52.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -570.088813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.088813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.088813 (E_RNA)
where:
Base-Base interactions energy: -382.860
where: short stacking energy: -164.279
Base-Backbone interact. energy: -1.862
local terms energy: -185.367678
where:
bonds (distance) C4'-P energy: -40.986
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -41.252
flat angles P-C4'-P energy: -19.390
tors. eta vs tors. theta energy: -45.299
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: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -513.682511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.682511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.682511 (E_RNA)
where:
Base-Base interactions energy: -330.895
where: short stacking energy: -162.636
Base-Backbone interact. energy: -0.105
local terms energy: -182.682010
where:
bonds (distance) C4'-P energy: -37.175
bonds (distance) P-C4' energy: -38.240
flat angles C4'-P-C4' energy: -36.807
flat angles P-C4'-P energy: -27.219
tors. eta vs tors. theta energy: -43.240
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: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -530.403348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.403348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.403348 (E_RNA)
where:
Base-Base interactions energy: -355.433
where: short stacking energy: -155.774
Base-Backbone interact. energy: -1.930
local terms energy: -173.039633
where:
bonds (distance) C4'-P energy: -30.080
bonds (distance) P-C4' energy: -40.092
flat angles C4'-P-C4' energy: -36.822
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -43.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -426.792215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.792215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.792215 (E_RNA)
where:
Base-Base interactions energy: -263.176
where: short stacking energy: -128.829
Base-Backbone interact. energy: -0.309
local terms energy: -163.306682
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -36.316
flat angles C4'-P-C4' energy: -43.059
flat angles P-C4'-P energy: -24.922
tors. eta vs tors. theta energy: -30.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -310.060950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.060950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.060950 (E_RNA)
where:
Base-Base interactions energy: -171.177
where: short stacking energy: -97.265
Base-Backbone interact. energy: -1.633
local terms energy: -137.250975
where:
bonds (distance) C4'-P energy: -29.226
bonds (distance) P-C4' energy: -43.475
flat angles C4'-P-C4' energy: -31.949
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -13.189
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: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -357.825789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.825789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.825789 (E_RNA)
where:
Base-Base interactions energy: -219.446
where: short stacking energy: -116.980
Base-Backbone interact. energy: -0.539
local terms energy: -137.841087
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -30.166
flat angles C4'-P-C4' energy: -38.859
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -272.385570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.385570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.385570 (E_RNA)
where:
Base-Base interactions energy: -137.535
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.239
local terms energy: -134.611070
where:
bonds (distance) C4'-P energy: -31.440
bonds (distance) P-C4' energy: -41.059
flat angles C4'-P-C4' energy: -35.053
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -5.233
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: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -207.271799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.271799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.271799 (E_RNA)
where:
Base-Base interactions energy: -102.739
where: short stacking energy: -57.703
Base-Backbone interact. energy: 2.556
local terms energy: -107.088648
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -35.456
flat angles C4'-P-C4' energy: -32.671
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -0.574
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: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -641.017604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.017604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.017604 (E_RNA)
where:
Base-Base interactions energy: -435.246
where: short stacking energy: -195.365
Base-Backbone interact. energy: -0.973
local terms energy: -204.798594
where:
bonds (distance) C4'-P energy: -41.429
bonds (distance) P-C4' energy: -38.976
flat angles C4'-P-C4' energy: -47.257
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: -57.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -594.698422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.698422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.698422 (E_RNA)
where:
Base-Base interactions energy: -395.604
where: short stacking energy: -172.979
Base-Backbone interact. energy: -1.672
local terms energy: -197.422428
where:
bonds (distance) C4'-P energy: -39.622
bonds (distance) P-C4' energy: -35.137
flat angles C4'-P-C4' energy: -43.358
flat angles P-C4'-P energy: -27.552
tors. eta vs tors. theta energy: -51.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -503.241644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.241644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.241644 (E_RNA)
where:
Base-Base interactions energy: -318.054
where: short stacking energy: -158.476
Base-Backbone interact. energy: -0.561
local terms energy: -184.626380
where:
bonds (distance) C4'-P energy: -38.214
bonds (distance) P-C4' energy: -39.627
flat angles C4'-P-C4' energy: -41.062
flat angles P-C4'-P energy: -26.614
tors. eta vs tors. theta energy: -39.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -539.787475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.787475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.787475 (E_RNA)
where:
Base-Base interactions energy: -362.085
where: short stacking energy: -154.916
Base-Backbone interact. energy: -1.466
local terms energy: -176.236351
where:
bonds (distance) C4'-P energy: -37.231
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -34.702
flat angles P-C4'-P energy: -31.831
tors. eta vs tors. theta energy: -42.285
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: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -530.819747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.819747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.819747 (E_RNA)
where:
Base-Base interactions energy: -355.736
where: short stacking energy: -152.245
Base-Backbone interact. energy: -0.516
local terms energy: -174.567003
where:
bonds (distance) C4'-P energy: -35.955
bonds (distance) P-C4' energy: -33.048
flat angles C4'-P-C4' energy: -40.335
flat angles P-C4'-P energy: -26.551
tors. eta vs tors. theta energy: -38.678
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: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -449.365865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.365865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.365865 (E_RNA)
where:
Base-Base interactions energy: -300.525
where: short stacking energy: -146.150
Base-Backbone interact. energy: -1.714
local terms energy: -147.126715
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -34.966
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: -29.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -416.290778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.290778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.290778 (E_RNA)
where:
Base-Base interactions energy: -273.515
where: short stacking energy: -131.288
Base-Backbone interact. energy: -1.549
local terms energy: -141.227120
where:
bonds (distance) C4'-P energy: -34.309
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -34.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -270.210317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.210317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.210317 (E_RNA)
where:
Base-Base interactions energy: -154.640
where: short stacking energy: -70.930
Base-Backbone interact. energy: -1.167
local terms energy: -114.403979
where:
bonds (distance) C4'-P energy: -25.403
bonds (distance) P-C4' energy: -32.917
flat angles C4'-P-C4' energy: -35.074
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -1.142
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: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -205.384432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.384432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.384432 (E_RNA)
where:
Base-Base interactions energy: -82.816
where: short stacking energy: -57.476
Base-Backbone interact. energy: -1.748
local terms energy: -120.820284
where:
bonds (distance) C4'-P energy: -29.887
bonds (distance) P-C4' energy: -32.131
flat angles C4'-P-C4' energy: -44.280
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: 6.959
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: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -287.670898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.670898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.670898 (E_RNA)
where:
Base-Base interactions energy: -150.022
where: short stacking energy: -81.548
Base-Backbone interact. energy: 0.759
local terms energy: -138.407454
where:
bonds (distance) C4'-P energy: -33.173
bonds (distance) P-C4' energy: -34.148
flat angles C4'-P-C4' energy: -33.539
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -606.258665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.258665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.258665 (E_RNA)
where:
Base-Base interactions energy: -404.561
where: short stacking energy: -183.403
Base-Backbone interact. energy: -1.218
local terms energy: -200.479844
where:
bonds (distance) C4'-P energy: -44.259
bonds (distance) P-C4' energy: -34.370
flat angles C4'-P-C4' energy: -39.820
flat angles P-C4'-P energy: -29.603
tors. eta vs tors. theta energy: -52.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -578.004140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.004140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.004140 (E_RNA)
where:
Base-Base interactions energy: -380.817
where: short stacking energy: -181.152
Base-Backbone interact. energy: -1.397
local terms energy: -195.791036
where:
bonds (distance) C4'-P energy: -34.646
bonds (distance) P-C4' energy: -37.163
flat angles C4'-P-C4' energy: -45.006
flat angles P-C4'-P energy: -27.923
tors. eta vs tors. theta energy: -51.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -528.440164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.440164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.440164 (E_RNA)
where:
Base-Base interactions energy: -345.063
where: short stacking energy: -168.213
Base-Backbone interact. energy: -0.103
local terms energy: -183.273823
where:
bonds (distance) C4'-P energy: -41.409
bonds (distance) P-C4' energy: -38.286
flat angles C4'-P-C4' energy: -37.165
flat angles P-C4'-P energy: -23.335
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: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -561.154798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.154798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.154798 (E_RNA)
where:
Base-Base interactions energy: -377.088
where: short stacking energy: -160.124
Base-Backbone interact. energy: -1.075
local terms energy: -182.992377
where:
bonds (distance) C4'-P energy: -38.348
bonds (distance) P-C4' energy: -42.203
flat angles C4'-P-C4' energy: -40.760
flat angles P-C4'-P energy: -20.381
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: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -549.942646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.942646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.942646 (E_RNA)
where:
Base-Base interactions energy: -376.709
where: short stacking energy: -162.381
Base-Backbone interact. energy: -2.050
local terms energy: -171.183957
where:
bonds (distance) C4'-P energy: -28.492
bonds (distance) P-C4' energy: -37.315
flat angles C4'-P-C4' energy: -44.954
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -40.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -439.996268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.996268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.996268 (E_RNA)
where:
Base-Base interactions energy: -269.998
where: short stacking energy: -140.860
Base-Backbone interact. energy: -1.016
local terms energy: -168.982887
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -38.342
flat angles C4'-P-C4' energy: -36.650
flat angles P-C4'-P energy: -28.484
tors. eta vs tors. theta energy: -38.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -423.376982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.376982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.376982 (E_RNA)
where:
Base-Base interactions energy: -269.916
where: short stacking energy: -130.512
Base-Backbone interact. energy: -0.258
local terms energy: -153.202866
where:
bonds (distance) C4'-P energy: -27.146
bonds (distance) P-C4' energy: -37.265
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -39.073
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: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -204.380217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.380217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.380217 (E_RNA)
where:
Base-Base interactions energy: -76.165
where: short stacking energy: -76.165
Base-Backbone interact. energy: -0.120
local terms energy: -128.095575
where:
bonds (distance) C4'-P energy: -36.019
bonds (distance) P-C4' energy: -38.427
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -8.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -264.439788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.439788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.439788 (E_RNA)
where:
Base-Base interactions energy: -136.791
where: short stacking energy: -71.260
Base-Backbone interact. energy: -0.465
local terms energy: -127.183580
where:
bonds (distance) C4'-P energy: -32.101
bonds (distance) P-C4' energy: -45.934
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -10.647
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -283.048827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.048827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.048827 (E_RNA)
where:
Base-Base interactions energy: -147.608
where: short stacking energy: -71.675
Base-Backbone interact. energy: -0.024
local terms energy: -135.417236
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -35.225
flat angles C4'-P-C4' energy: -36.205
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -9.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -635.953219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.953219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.953219 (E_RNA)
where:
Base-Base interactions energy: -432.556
where: short stacking energy: -192.905
Base-Backbone interact. energy: -2.329
local terms energy: -201.067516
where:
bonds (distance) C4'-P energy: -37.762
bonds (distance) P-C4' energy: -42.366
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: -56.109
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: 120
Temperature: 0.950000
Total energy: -622.440581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.440581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.440581 (E_RNA)
where:
Base-Base interactions energy: -431.864
where: short stacking energy: -183.365
Base-Backbone interact. energy: -0.347
local terms energy: -190.228706
where:
bonds (distance) C4'-P energy: -35.341
bonds (distance) P-C4' energy: -34.231
flat angles C4'-P-C4' energy: -40.411
flat angles P-C4'-P energy: -29.770
tors. eta vs tors. theta energy: -50.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -553.878627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.878627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.878627 (E_RNA)
where:
Base-Base interactions energy: -353.467
where: short stacking energy: -193.525
Base-Backbone interact. energy: -0.781
local terms energy: -199.631233
where:
bonds (distance) C4'-P energy: -35.226
bonds (distance) P-C4' energy: -37.406
flat angles C4'-P-C4' energy: -45.927
flat angles P-C4'-P energy: -28.668
tors. eta vs tors. theta energy: -52.405
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: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -535.127908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.127908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.127908 (E_RNA)
where:
Base-Base interactions energy: -350.013
where: short stacking energy: -152.044
Base-Backbone interact. energy: -0.621
local terms energy: -184.493753
where:
bonds (distance) C4'-P energy: -39.278
bonds (distance) P-C4' energy: -35.283
flat angles C4'-P-C4' energy: -42.505
flat angles P-C4'-P energy: -33.722
tors. eta vs tors. theta energy: -33.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -520.474258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.474258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.474258 (E_RNA)
where:
Base-Base interactions energy: -358.550
where: short stacking energy: -154.212
Base-Backbone interact. energy: -0.886
local terms energy: -161.039032
where:
bonds (distance) C4'-P energy: -31.813
bonds (distance) P-C4' energy: -40.025
flat angles C4'-P-C4' energy: -37.787
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -41.862
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: 120
Temperature: 1.150000
Total energy: -441.808209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.808209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.808209 (E_RNA)
where:
Base-Base interactions energy: -274.306
where: short stacking energy: -138.795
Base-Backbone interact. energy: -1.370
local terms energy: -166.132280
where:
bonds (distance) C4'-P energy: -40.855
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -35.103
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -34.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -394.432983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.432983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.432983 (E_RNA)
where:
Base-Base interactions energy: -254.997
where: short stacking energy: -119.913
Base-Backbone interact. energy: -0.353
local terms energy: -139.083392
where:
bonds (distance) C4'-P energy: -33.607
bonds (distance) P-C4' energy: -26.363
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -31.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -197.663188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.663188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.663188 (E_RNA)
where:
Base-Base interactions energy: -81.780
where: short stacking energy: -68.113
Base-Backbone interact. energy: -0.557
local terms energy: -115.326583
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -35.123
flat angles C4'-P-C4' energy: -30.986
flat angles P-C4'-P energy: -24.745
tors. eta vs tors. theta energy: 0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -259.536839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.536839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.536839 (E_RNA)
where:
Base-Base interactions energy: -130.996
where: short stacking energy: -68.441
Base-Backbone interact. energy: -0.756
local terms energy: -127.784865
where:
bonds (distance) C4'-P energy: -36.120
bonds (distance) P-C4' energy: -39.469
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -21.501
tors. eta vs tors. theta energy: -10.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -248.911950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.911950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.911950 (E_RNA)
where:
Base-Base interactions energy: -127.135
where: short stacking energy: -69.827
Base-Backbone interact. energy: 1.558
local terms energy: -123.335042
where:
bonds (distance) C4'-P energy: -27.084
bonds (distance) P-C4' energy: -28.406
flat angles C4'-P-C4' energy: -35.151
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -11.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -623.605917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.605917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.605917 (E_RNA)
where:
Base-Base interactions energy: -420.060
where: short stacking energy: -184.946
Base-Backbone interact. energy: -2.222
local terms energy: -201.323919
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -38.530
flat angles P-C4'-P energy: -32.356
tors. eta vs tors. theta energy: -54.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -612.030477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.030477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.030477 (E_RNA)
where:
Base-Base interactions energy: -411.369
where: short stacking energy: -179.569
Base-Backbone interact. energy: 3.151
local terms energy: -203.813062
where:
bonds (distance) C4'-P energy: -42.095
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -38.233
flat angles P-C4'-P energy: -30.463
tors. eta vs tors. theta energy: -56.874
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: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -548.337189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.337189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.337189 (E_RNA)
where:
Base-Base interactions energy: -365.298
where: short stacking energy: -176.901
Base-Backbone interact. energy: -0.041
local terms energy: -182.998074
where:
bonds (distance) C4'-P energy: -39.489
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -38.753
flat angles P-C4'-P energy: -28.411
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: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -520.285432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.285432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.285432 (E_RNA)
where:
Base-Base interactions energy: -346.744
where: short stacking energy: -156.632
Base-Backbone interact. energy: -0.628
local terms energy: -172.914128
where:
bonds (distance) C4'-P energy: -36.835
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -36.290
flat angles P-C4'-P energy: -26.585
tors. eta vs tors. theta energy: -46.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -535.204789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.204789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.204789 (E_RNA)
where:
Base-Base interactions energy: -361.599
where: short stacking energy: -152.731
Base-Backbone interact. energy: -0.888
local terms energy: -172.717359
where:
bonds (distance) C4'-P energy: -30.738
bonds (distance) P-C4' energy: -46.034
flat angles C4'-P-C4' energy: -35.729
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -36.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -452.379489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.379489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.379489 (E_RNA)
where:
Base-Base interactions energy: -286.875
where: short stacking energy: -134.462
Base-Backbone interact. energy: -0.650
local terms energy: -164.854333
where:
bonds (distance) C4'-P energy: -33.114
bonds (distance) P-C4' energy: -35.739
flat angles C4'-P-C4' energy: -37.273
flat angles P-C4'-P energy: -26.967
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: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -402.337894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.337894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.337894 (E_RNA)
where:
Base-Base interactions energy: -248.093
where: short stacking energy: -117.252
Base-Backbone interact. energy: 0.392
local terms energy: -154.637015
where:
bonds (distance) C4'-P energy: -34.174
bonds (distance) P-C4' energy: -37.017
flat angles C4'-P-C4' energy: -38.092
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -28.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -237.451580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.451580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.451580 (E_RNA)
where:
Base-Base interactions energy: -112.137
where: short stacking energy: -56.373
Base-Backbone interact. energy: -0.455
local terms energy: -124.858847
where:
bonds (distance) C4'-P energy: -31.214
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -31.265
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -183.915260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.915260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.915260 (E_RNA)
where:
Base-Base interactions energy: -82.527
where: short stacking energy: -42.025
Base-Backbone interact. energy: 1.284
local terms energy: -102.672075
where:
bonds (distance) C4'-P energy: -38.372
bonds (distance) P-C4' energy: -32.720
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: 9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -257.943333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.943333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.943333 (E_RNA)
where:
Base-Base interactions energy: -135.614
where: short stacking energy: -72.230
Base-Backbone interact. energy: 1.152
local terms energy: -123.481637
where:
bonds (distance) C4'-P energy: -30.298
bonds (distance) P-C4' energy: -34.255
flat angles C4'-P-C4' energy: -25.447
flat angles P-C4'-P energy: -31.577
tors. eta vs tors. theta energy: -1.905
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: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -646.099422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.099422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.099422 (E_RNA)
where:
Base-Base interactions energy: -431.126
where: short stacking energy: -194.729
Base-Backbone interact. energy: -0.184
local terms energy: -214.789098
where:
bonds (distance) C4'-P energy: -40.803
bonds (distance) P-C4' energy: -45.101
flat angles C4'-P-C4' energy: -45.640
flat angles P-C4'-P energy: -25.394
tors. eta vs tors. theta energy: -57.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -619.460891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.460891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.460891 (E_RNA)
where:
Base-Base interactions energy: -424.729
where: short stacking energy: -176.455
Base-Backbone interact. energy: -0.659
local terms energy: -194.073511
where:
bonds (distance) C4'-P energy: -37.730
bonds (distance) P-C4' energy: -36.968
flat angles C4'-P-C4' energy: -39.478
flat angles P-C4'-P energy: -26.069
tors. eta vs tors. theta energy: -53.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -582.255581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.255581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.255581 (E_RNA)
where:
Base-Base interactions energy: -382.013
where: short stacking energy: -174.451
Base-Backbone interact. energy: -0.177
local terms energy: -200.065116
where:
bonds (distance) C4'-P energy: -40.190
bonds (distance) P-C4' energy: -40.256
flat angles C4'-P-C4' energy: -39.673
flat angles P-C4'-P energy: -27.952
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: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -547.923458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.923458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.923458 (E_RNA)
where:
Base-Base interactions energy: -365.945
where: short stacking energy: -176.280
Base-Backbone interact. energy: -0.764
local terms energy: -181.214736
where:
bonds (distance) C4'-P energy: -32.745
bonds (distance) P-C4' energy: -38.756
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -51.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -537.642478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.642478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.642478 (E_RNA)
where:
Base-Base interactions energy: -362.825
where: short stacking energy: -149.606
Base-Backbone interact. energy: -1.447
local terms energy: -173.369768
where:
bonds (distance) C4'-P energy: -30.332
bonds (distance) P-C4' energy: -34.970
flat angles C4'-P-C4' energy: -40.758
flat angles P-C4'-P energy: -24.311
tors. eta vs tors. theta energy: -42.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -466.878368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.878368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.878368 (E_RNA)
where:
Base-Base interactions energy: -298.433
where: short stacking energy: -132.776
Base-Backbone interact. energy: -1.044
local terms energy: -167.401849
where:
bonds (distance) C4'-P energy: -32.787
bonds (distance) P-C4' energy: -37.677
flat angles C4'-P-C4' energy: -34.763
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: -40.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -379.556829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.556829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.556829 (E_RNA)
where:
Base-Base interactions energy: -223.152
where: short stacking energy: -99.284
Base-Backbone interact. energy: -0.763
local terms energy: -155.641795
where:
bonds (distance) C4'-P energy: -34.449
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -41.728
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: -24.134
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: 122
Temperature: 1.250000
Total energy: -219.056333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.056333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.056333 (E_RNA)
where:
Base-Base interactions energy: -97.037
where: short stacking energy: -50.836
Base-Backbone interact. energy: 1.462
local terms energy: -123.481938
where:
bonds (distance) C4'-P energy: -27.285
bonds (distance) P-C4' energy: -36.004
flat angles C4'-P-C4' energy: -28.362
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -274.038852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.038852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.038852 (E_RNA)
where:
Base-Base interactions energy: -149.864
where: short stacking energy: -84.518
Base-Backbone interact. energy: 1.194
local terms energy: -125.368849
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -28.873
flat angles C4'-P-C4' energy: -34.904
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -170.233644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.233644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.233644 (E_RNA)
where:
Base-Base interactions energy: -82.354
where: short stacking energy: -56.121
Base-Backbone interact. energy: -0.948
local terms energy: -86.931323
where:
bonds (distance) C4'-P energy: -35.888
bonds (distance) P-C4' energy: -26.998
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -21.010
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: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -642.237262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.237262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.237262 (E_RNA)
where:
Base-Base interactions energy: -442.215
where: short stacking energy: -199.993
Base-Backbone interact. energy: -1.128
local terms energy: -198.894156
where:
bonds (distance) C4'-P energy: -32.574
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -43.093
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -55.613
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: 123
Temperature: 0.950000
Total energy: -609.814874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.814874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.814874 (E_RNA)
where:
Base-Base interactions energy: -405.098
where: short stacking energy: -169.299
Base-Backbone interact. energy: -0.217
local terms energy: -204.500671
where:
bonds (distance) C4'-P energy: -36.548
bonds (distance) P-C4' energy: -42.678
flat angles C4'-P-C4' energy: -44.595
flat angles P-C4'-P energy: -30.141
tors. eta vs tors. theta energy: -50.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -580.058597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.058597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.058597 (E_RNA)
where:
Base-Base interactions energy: -381.578
where: short stacking energy: -175.430
Base-Backbone interact. energy: -0.734
local terms energy: -197.746475
where:
bonds (distance) C4'-P energy: -37.502
bonds (distance) P-C4' energy: -38.304
flat angles C4'-P-C4' energy: -46.457
flat angles P-C4'-P energy: -32.658
tors. eta vs tors. theta energy: -42.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -529.208350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.208350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.208350 (E_RNA)
where:
Base-Base interactions energy: -349.919
where: short stacking energy: -140.588
Base-Backbone interact. energy: -1.715
local terms energy: -177.574571
where:
bonds (distance) C4'-P energy: -29.094
bonds (distance) P-C4' energy: -38.997
flat angles C4'-P-C4' energy: -43.289
flat angles P-C4'-P energy: -32.299
tors. eta vs tors. theta energy: -33.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -523.536654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.536654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.536654 (E_RNA)
where:
Base-Base interactions energy: -340.998
where: short stacking energy: -147.292
Base-Backbone interact. energy: -1.308
local terms energy: -181.229686
where:
bonds (distance) C4'-P energy: -36.927
bonds (distance) P-C4' energy: -36.516
flat angles C4'-P-C4' energy: -36.664
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: -46.975
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: 123
Temperature: 1.150000
Total energy: -433.952546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.952546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.952546 (E_RNA)
where:
Base-Base interactions energy: -269.548
where: short stacking energy: -113.845
Base-Backbone interact. energy: -0.339
local terms energy: -164.065969
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -42.602
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -27.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -424.873479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.873479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.873479 (E_RNA)
where:
Base-Base interactions energy: -262.848
where: short stacking energy: -116.993
Base-Backbone interact. energy: -0.391
local terms energy: -161.634787
where:
bonds (distance) C4'-P energy: -32.769
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -36.511
flat angles P-C4'-P energy: -23.973
tors. eta vs tors. theta energy: -33.704
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: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -286.279797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.279797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.279797 (E_RNA)
where:
Base-Base interactions energy: -158.872
where: short stacking energy: -81.816
Base-Backbone interact. energy: 0.288
local terms energy: -127.696068
where:
bonds (distance) C4'-P energy: -31.991
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -11.971
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: 123
Temperature: 1.300000
Total energy: -173.863059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.863059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.863059 (E_RNA)
where:
Base-Base interactions energy: -65.652
where: short stacking energy: -47.520
Base-Backbone interact. energy: 1.408
local terms energy: -109.618852
where:
bonds (distance) C4'-P energy: -37.580
bonds (distance) P-C4' energy: -34.115
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -16.366
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: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -168.444217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.444217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.444217 (E_RNA)
where:
Base-Base interactions energy: -61.934
where: short stacking energy: -58.608
Base-Backbone interact. energy: -0.840
local terms energy: -105.670042
where:
bonds (distance) C4'-P energy: -28.623
bonds (distance) P-C4' energy: -42.976
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: 1.467
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: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -640.800418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.800418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.800418 (E_RNA)
where:
Base-Base interactions energy: -447.619
where: short stacking energy: -197.278
Base-Backbone interact. energy: 0.331
local terms energy: -193.512549
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -41.674
flat angles C4'-P-C4' energy: -37.599
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -52.205
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: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -616.794957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.794957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.794957 (E_RNA)
where:
Base-Base interactions energy: -415.352
where: short stacking energy: -188.452
Base-Backbone interact. energy: 1.049
local terms energy: -202.491254
where:
bonds (distance) C4'-P energy: -36.965
bonds (distance) P-C4' energy: -41.249
flat angles C4'-P-C4' energy: -45.483
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -53.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -600.145525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.145525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.145525 (E_RNA)
where:
Base-Base interactions energy: -397.585
where: short stacking energy: -175.967
Base-Backbone interact. energy: 0.095
local terms energy: -202.656294
where:
bonds (distance) C4'-P energy: -32.857
bonds (distance) P-C4' energy: -40.096
flat angles C4'-P-C4' energy: -42.021
flat angles P-C4'-P energy: -34.070
tors. eta vs tors. theta energy: -53.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -557.312497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.312497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.312497 (E_RNA)
where:
Base-Base interactions energy: -378.126
where: short stacking energy: -162.711
Base-Backbone interact. energy: -1.291
local terms energy: -177.895876
where:
bonds (distance) C4'-P energy: -32.525
bonds (distance) P-C4' energy: -36.224
flat angles C4'-P-C4' energy: -42.562
flat angles P-C4'-P energy: -23.376
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: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -525.673168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.673168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.673168 (E_RNA)
where:
Base-Base interactions energy: -340.673
where: short stacking energy: -155.317
Base-Backbone interact. energy: -0.702
local terms energy: -184.298241
where:
bonds (distance) C4'-P energy: -35.064
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -43.623
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -47.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -458.992143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.992143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.992143 (E_RNA)
where:
Base-Base interactions energy: -305.271
where: short stacking energy: -145.137
Base-Backbone interact. energy: -0.195
local terms energy: -153.525770
where:
bonds (distance) C4'-P energy: -28.182
bonds (distance) P-C4' energy: -31.690
flat angles C4'-P-C4' energy: -41.808
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -36.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -396.334327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.334327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.334327 (E_RNA)
where:
Base-Base interactions energy: -235.877
where: short stacking energy: -110.470
Base-Backbone interact. energy: 0.815
local terms energy: -161.272535
where:
bonds (distance) C4'-P energy: -32.415
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -39.698
flat angles P-C4'-P energy: -26.305
tors. eta vs tors. theta energy: -29.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -307.576018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.576018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.576018 (E_RNA)
where:
Base-Base interactions energy: -165.514
where: short stacking energy: -98.995
Base-Backbone interact. energy: -0.336
local terms energy: -141.725792
where:
bonds (distance) C4'-P energy: -30.772
bonds (distance) P-C4' energy: -33.253
flat angles C4'-P-C4' energy: -35.082
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -175.070875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.070875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.070875 (E_RNA)
where:
Base-Base interactions energy: -60.344
where: short stacking energy: -42.185
Base-Backbone interact. energy: -0.373
local terms energy: -114.353755
where:
bonds (distance) C4'-P energy: -36.471
bonds (distance) P-C4' energy: -32.699
flat angles C4'-P-C4' energy: -38.549
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: 15.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -163.780656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.780656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.780656 (E_RNA)
where:
Base-Base interactions energy: -55.109
where: short stacking energy: -54.028
Base-Backbone interact. energy: 0.529
local terms energy: -109.200747
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -31.323
flat angles C4'-P-C4' energy: -31.409
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: 2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -637.412962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.412962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.412962 (E_RNA)
where:
Base-Base interactions energy: -437.612
where: short stacking energy: -181.366
Base-Backbone interact. energy: -1.903
local terms energy: -197.898518
where:
bonds (distance) C4'-P energy: -34.050
bonds (distance) P-C4' energy: -39.814
flat angles C4'-P-C4' energy: -37.205
flat angles P-C4'-P energy: -30.405
tors. eta vs tors. theta energy: -56.424
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: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -628.734070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.734070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.734070 (E_RNA)
where:
Base-Base interactions energy: -430.783
where: short stacking energy: -177.721
Base-Backbone interact. energy: -0.318
local terms energy: -197.633246
where:
bonds (distance) C4'-P energy: -36.499
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -39.250
flat angles P-C4'-P energy: -31.120
tors. eta vs tors. theta energy: -57.099
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: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -583.905102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.905102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.905102 (E_RNA)
where:
Base-Base interactions energy: -398.011
where: short stacking energy: -176.849
Base-Backbone interact. energy: -0.241
local terms energy: -185.653042
where:
bonds (distance) C4'-P energy: -35.091
bonds (distance) P-C4' energy: -34.322
flat angles C4'-P-C4' energy: -38.267
flat angles P-C4'-P energy: -28.686
tors. eta vs tors. theta energy: -49.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -572.371738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.371738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.371738 (E_RNA)
where:
Base-Base interactions energy: -387.926
where: short stacking energy: -166.857
Base-Backbone interact. energy: -1.272
local terms energy: -183.174387
where:
bonds (distance) C4'-P energy: -34.311
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -41.201
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: -42.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -529.209456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.209456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.209456 (E_RNA)
where:
Base-Base interactions energy: -342.610
where: short stacking energy: -175.406
Base-Backbone interact. energy: -0.396
local terms energy: -186.203654
where:
bonds (distance) C4'-P energy: -32.781
bonds (distance) P-C4' energy: -37.095
flat angles C4'-P-C4' energy: -43.366
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -50.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -436.041674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.041674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.041674 (E_RNA)
where:
Base-Base interactions energy: -268.299
where: short stacking energy: -138.383
Base-Backbone interact. energy: -0.427
local terms energy: -167.315396
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -36.078
flat angles C4'-P-C4' energy: -34.234
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -34.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -410.551001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.551001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.551001 (E_RNA)
where:
Base-Base interactions energy: -259.391
where: short stacking energy: -127.418
Base-Backbone interact. energy: -0.256
local terms energy: -150.904142
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -36.676
flat angles C4'-P-C4' energy: -28.603
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -31.312
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: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -308.039092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.039092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.039092 (E_RNA)
where:
Base-Base interactions energy: -168.083
where: short stacking energy: -100.296
Base-Backbone interact. energy: -0.862
local terms energy: -139.093465
where:
bonds (distance) C4'-P energy: -38.601
bonds (distance) P-C4' energy: -32.017
flat angles C4'-P-C4' energy: -31.121
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -190.117279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.117279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.117279 (E_RNA)
where:
Base-Base interactions energy: -72.381
where: short stacking energy: -63.619
Base-Backbone interact. energy: -0.381
local terms energy: -117.354751
where:
bonds (distance) C4'-P energy: -30.927
bonds (distance) P-C4' energy: -32.796
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -21.096
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -186.956699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.956699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.956699 (E_RNA)
where:
Base-Base interactions energy: -80.759
where: short stacking energy: -63.643
Base-Backbone interact. energy: 0.810
local terms energy: -107.007009
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -31.203
flat angles C4'-P-C4' energy: -32.069
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: 3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -627.366628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.366628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.366628 (E_RNA)
where:
Base-Base interactions energy: -429.921
where: short stacking energy: -177.956
Base-Backbone interact. energy: 0.909
local terms energy: -198.355193
where:
bonds (distance) C4'-P energy: -37.127
bonds (distance) P-C4' energy: -40.992
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -30.778
tors. eta vs tors. theta energy: -52.052
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: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -643.345463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.345463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.345463 (E_RNA)
where:
Base-Base interactions energy: -448.449
where: short stacking energy: -192.239
Base-Backbone interact. energy: -1.181
local terms energy: -193.715538
where:
bonds (distance) C4'-P energy: -36.171
bonds (distance) P-C4' energy: -42.590
flat angles C4'-P-C4' energy: -42.794
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -50.411
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: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -579.062965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.062965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.062965 (E_RNA)
where:
Base-Base interactions energy: -385.955
where: short stacking energy: -185.622
Base-Backbone interact. energy: -0.937
local terms energy: -192.171387
where:
bonds (distance) C4'-P energy: -36.499
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -43.573
flat angles P-C4'-P energy: -25.770
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: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -541.846451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.846451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.846451 (E_RNA)
where:
Base-Base interactions energy: -374.019
where: short stacking energy: -143.878
Base-Backbone interact. energy: -0.473
local terms energy: -167.354963
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -40.658
flat angles C4'-P-C4' energy: -37.105
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -42.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -528.324682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.324682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.324682 (E_RNA)
where:
Base-Base interactions energy: -349.799
where: short stacking energy: -158.536
Base-Backbone interact. energy: 0.830
local terms energy: -179.355530
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -37.557
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -25.193
tors. eta vs tors. theta energy: -49.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -475.457663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.457663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.457663 (E_RNA)
where:
Base-Base interactions energy: -295.115
where: short stacking energy: -148.922
Base-Backbone interact. energy: -0.268
local terms energy: -180.074916
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -32.485
flat angles C4'-P-C4' energy: -46.022
flat angles P-C4'-P energy: -25.290
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: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -426.333096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.333096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.333096 (E_RNA)
where:
Base-Base interactions energy: -273.341
where: short stacking energy: -140.648
Base-Backbone interact. energy: 3.037
local terms energy: -156.028636
where:
bonds (distance) C4'-P energy: -36.691
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -37.409
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -31.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -294.728537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.728537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.728537 (E_RNA)
where:
Base-Base interactions energy: -160.131
where: short stacking energy: -89.869
Base-Backbone interact. energy: -0.629
local terms energy: -133.968396
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -34.431
flat angles C4'-P-C4' energy: -35.426
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -184.657746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.657746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.657746 (E_RNA)
where:
Base-Base interactions energy: -64.029
where: short stacking energy: -53.103
Base-Backbone interact. energy: -0.706
local terms energy: -119.922370
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -30.574
flat angles C4'-P-C4' energy: -39.270
flat angles P-C4'-P energy: -18.522
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: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -169.279515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.279515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.279515 (E_RNA)
where:
Base-Base interactions energy: -56.310
where: short stacking energy: -51.950
Base-Backbone interact. energy: -0.736
local terms energy: -112.233664
where:
bonds (distance) C4'-P energy: -38.009
bonds (distance) P-C4' energy: -38.104
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: 5.578
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: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -634.698638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.698638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.698638 (E_RNA)
where:
Base-Base interactions energy: -439.465
where: short stacking energy: -178.812
Base-Backbone interact. energy: -1.787
local terms energy: -193.446541
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -36.917
flat angles C4'-P-C4' energy: -46.698
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -56.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -636.865112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.865112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.865112 (E_RNA)
where:
Base-Base interactions energy: -443.940
where: short stacking energy: -177.328
Base-Backbone interact. energy: -2.585
local terms energy: -190.340016
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -38.961
flat angles C4'-P-C4' energy: -44.208
flat angles P-C4'-P energy: -26.949
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: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -596.922443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.922443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.922443 (E_RNA)
where:
Base-Base interactions energy: -396.463
where: short stacking energy: -178.300
Base-Backbone interact. energy: -0.154
local terms energy: -200.306235
where:
bonds (distance) C4'-P energy: -39.783
bonds (distance) P-C4' energy: -43.634
flat angles C4'-P-C4' energy: -39.811
flat angles P-C4'-P energy: -26.140
tors. eta vs tors. theta energy: -50.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -553.846721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.846721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.846721 (E_RNA)
where:
Base-Base interactions energy: -368.675
where: short stacking energy: -179.781
Base-Backbone interact. energy: -0.691
local terms energy: -184.480902
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -37.737
flat angles C4'-P-C4' energy: -35.818
flat angles P-C4'-P energy: -28.014
tors. eta vs tors. theta energy: -49.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -540.189882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.189882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.189882 (E_RNA)
where:
Base-Base interactions energy: -366.907
where: short stacking energy: -158.026
Base-Backbone interact. energy: 0.091
local terms energy: -173.373967
where:
bonds (distance) C4'-P energy: -29.531
bonds (distance) P-C4' energy: -36.993
flat angles C4'-P-C4' energy: -44.592
flat angles P-C4'-P energy: -26.821
tors. eta vs tors. theta energy: -35.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -473.012679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.012679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.012679 (E_RNA)
where:
Base-Base interactions energy: -295.387
where: short stacking energy: -151.236
Base-Backbone interact. energy: -0.727
local terms energy: -176.897892
where:
bonds (distance) C4'-P energy: -33.128
bonds (distance) P-C4' energy: -35.135
flat angles C4'-P-C4' energy: -38.994
flat angles P-C4'-P energy: -31.014
tors. eta vs tors. theta energy: -38.627
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: 127
Temperature: 1.200000
Total energy: -447.296634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.296634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.296634 (E_RNA)
where:
Base-Base interactions energy: -286.518
where: short stacking energy: -139.533
Base-Backbone interact. energy: 0.100
local terms energy: -160.878816
where:
bonds (distance) C4'-P energy: -35.826
bonds (distance) P-C4' energy: -25.906
flat angles C4'-P-C4' energy: -39.328
flat angles P-C4'-P energy: -19.711
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: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -276.991730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.991730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.991730 (E_RNA)
where:
Base-Base interactions energy: -154.073
where: short stacking energy: -93.079
Base-Backbone interact. energy: -1.155
local terms energy: -121.764161
where:
bonds (distance) C4'-P energy: -35.624
bonds (distance) P-C4' energy: -29.631
flat angles C4'-P-C4' energy: -33.857
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -190.916494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.916494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.916494 (E_RNA)
where:
Base-Base interactions energy: -65.681
where: short stacking energy: -55.965
Base-Backbone interact. energy: 0.015
local terms energy: -125.250165
where:
bonds (distance) C4'-P energy: -38.396
bonds (distance) P-C4' energy: -34.101
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -3.958
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: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -175.795953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.795953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.795953 (E_RNA)
where:
Base-Base interactions energy: -61.352
where: short stacking energy: -53.088
Base-Backbone interact. energy: -0.295
local terms energy: -114.148621
where:
bonds (distance) C4'-P energy: -32.634
bonds (distance) P-C4' energy: -39.473
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -20.367
tors. eta vs tors. theta energy: -0.115
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: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -653.283203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.283203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.283203 (E_RNA)
where:
Base-Base interactions energy: -453.062
where: short stacking energy: -201.402
Base-Backbone interact. energy: -1.530
local terms energy: -198.691081
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -37.794
flat angles C4'-P-C4' energy: -43.717
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -61.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -613.437826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.437826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.437826 (E_RNA)
where:
Base-Base interactions energy: -431.513
where: short stacking energy: -180.879
Base-Backbone interact. energy: -2.022
local terms energy: -179.903395
where:
bonds (distance) C4'-P energy: -32.948
bonds (distance) P-C4' energy: -39.105
flat angles C4'-P-C4' energy: -41.225
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -47.804
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: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -614.203469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.203469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.203469 (E_RNA)
where:
Base-Base interactions energy: -412.419
where: short stacking energy: -176.111
Base-Backbone interact. energy: -0.359
local terms energy: -201.425259
where:
bonds (distance) C4'-P energy: -40.893
bonds (distance) P-C4' energy: -37.082
flat angles C4'-P-C4' energy: -38.753
flat angles P-C4'-P energy: -29.367
tors. eta vs tors. theta energy: -55.331
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: 128
Temperature: 1.050000
Total energy: -550.390532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.390532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.390532 (E_RNA)
where:
Base-Base interactions energy: -368.473
where: short stacking energy: -163.256
Base-Backbone interact. energy: -1.450
local terms energy: -180.466817
where:
bonds (distance) C4'-P energy: -34.597
bonds (distance) P-C4' energy: -45.215
flat angles C4'-P-C4' energy: -38.349
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -41.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -551.905130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.905130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.905130 (E_RNA)
where:
Base-Base interactions energy: -374.916
where: short stacking energy: -162.013
Base-Backbone interact. energy: -0.476
local terms energy: -176.513394
where:
bonds (distance) C4'-P energy: -42.144
bonds (distance) P-C4' energy: -39.355
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -41.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -460.111409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.111409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.111409 (E_RNA)
where:
Base-Base interactions energy: -295.404
where: short stacking energy: -134.799
Base-Backbone interact. energy: 0.325
local terms energy: -165.032412
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -35.906
flat angles C4'-P-C4' energy: -33.790
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -42.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -426.056560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.056560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.056560 (E_RNA)
where:
Base-Base interactions energy: -271.954
where: short stacking energy: -124.227
Base-Backbone interact. energy: 2.223
local terms energy: -156.325852
where:
bonds (distance) C4'-P energy: -36.514
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -36.355
flat angles P-C4'-P energy: -21.833
tors. eta vs tors. theta energy: -33.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -287.560625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.560625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.560625 (E_RNA)
where:
Base-Base interactions energy: -141.738
where: short stacking energy: -81.781
Base-Backbone interact. energy: 0.102
local terms energy: -145.924447
where:
bonds (distance) C4'-P energy: -36.498
bonds (distance) P-C4' energy: -34.481
flat angles C4'-P-C4' energy: -38.545
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -177.308315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.308315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.308315 (E_RNA)
where:
Base-Base interactions energy: -59.647
where: short stacking energy: -52.870
Base-Backbone interact. energy: -0.251
local terms energy: -117.410031
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -43.211
flat angles C4'-P-C4' energy: -35.247
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: 8.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -159.916560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.916560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.916560 (E_RNA)
where:
Base-Base interactions energy: -45.188
where: short stacking energy: -37.668
Base-Backbone interact. energy: -0.682
local terms energy: -114.046773
where:
bonds (distance) C4'-P energy: -35.488
bonds (distance) P-C4' energy: -39.883
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: 3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -647.141630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.141630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.141630 (E_RNA)
where:
Base-Base interactions energy: -446.412
where: short stacking energy: -194.488
Base-Backbone interact. energy: 1.490
local terms energy: -202.220138
where:
bonds (distance) C4'-P energy: -33.667
bonds (distance) P-C4' energy: -42.549
flat angles C4'-P-C4' energy: -36.545
flat angles P-C4'-P energy: -30.311
tors. eta vs tors. theta energy: -59.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -612.289451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.289451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.289451 (E_RNA)
where:
Base-Base interactions energy: -424.404
where: short stacking energy: -187.577
Base-Backbone interact. energy: 2.056
local terms energy: -189.942200
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -33.465
flat angles C4'-P-C4' energy: -41.092
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -52.678
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: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -613.218231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.218231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.218231 (E_RNA)
where:
Base-Base interactions energy: -410.122
where: short stacking energy: -181.003
Base-Backbone interact. energy: 0.101
local terms energy: -203.196859
where:
bonds (distance) C4'-P energy: -41.291
bonds (distance) P-C4' energy: -36.595
flat angles C4'-P-C4' energy: -44.701
flat angles P-C4'-P energy: -27.272
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: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -549.333881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.333881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.333881 (E_RNA)
where:
Base-Base interactions energy: -383.027
where: short stacking energy: -150.984
Base-Backbone interact. energy: -1.895
local terms energy: -164.412557
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -35.595
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -37.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -545.706064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.706064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.706064 (E_RNA)
where:
Base-Base interactions energy: -367.199
where: short stacking energy: -172.804
Base-Backbone interact. energy: -0.994
local terms energy: -177.512755
where:
bonds (distance) C4'-P energy: -28.796
bonds (distance) P-C4' energy: -33.702
flat angles C4'-P-C4' energy: -40.981
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: -47.010
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: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -444.464255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.464255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.464255 (E_RNA)
where:
Base-Base interactions energy: -279.319
where: short stacking energy: -134.277
Base-Backbone interact. energy: -0.225
local terms energy: -164.919836
where:
bonds (distance) C4'-P energy: -34.411
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -35.141
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -40.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -433.943745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.943745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.943745 (E_RNA)
where:
Base-Base interactions energy: -279.064
where: short stacking energy: -133.096
Base-Backbone interact. energy: -0.494
local terms energy: -154.386053
where:
bonds (distance) C4'-P energy: -29.109
bonds (distance) P-C4' energy: -32.418
flat angles C4'-P-C4' energy: -41.520
flat angles P-C4'-P energy: -18.030
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: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -289.716782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.716782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.716782 (E_RNA)
where:
Base-Base interactions energy: -160.245
where: short stacking energy: -86.814
Base-Backbone interact. energy: -0.668
local terms energy: -128.804461
where:
bonds (distance) C4'-P energy: -34.111
bonds (distance) P-C4' energy: -28.065
flat angles C4'-P-C4' energy: -39.152
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -183.664134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.664134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.664134 (E_RNA)
where:
Base-Base interactions energy: -71.966
where: short stacking energy: -58.919
Base-Backbone interact. energy: 1.190
local terms energy: -112.888157
where:
bonds (distance) C4'-P energy: -32.477
bonds (distance) P-C4' energy: -37.398
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: 2.754
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: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -182.807378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.807378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.807378 (E_RNA)
where:
Base-Base interactions energy: -76.893
where: short stacking energy: -53.681
Base-Backbone interact. energy: 0.723
local terms energy: -106.636861
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -27.797
flat angles P-C4'-P energy: -22.665
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -646.356830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.356830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.356830 (E_RNA)
where:
Base-Base interactions energy: -435.990
where: short stacking energy: -200.332
Base-Backbone interact. energy: -1.315
local terms energy: -209.052290
where:
bonds (distance) C4'-P energy: -33.222
bonds (distance) P-C4' energy: -41.780
flat angles C4'-P-C4' energy: -44.846
flat angles P-C4'-P energy: -29.387
tors. eta vs tors. theta energy: -59.818
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: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -604.627037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.627037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.627037 (E_RNA)
where:
Base-Base interactions energy: -405.288
where: short stacking energy: -164.922
Base-Backbone interact. energy: -1.043
local terms energy: -198.295537
where:
bonds (distance) C4'-P energy: -35.113
bonds (distance) P-C4' energy: -38.925
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -31.682
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: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -614.579365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.579365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.579365 (E_RNA)
where:
Base-Base interactions energy: -427.935
where: short stacking energy: -177.428
Base-Backbone interact. energy: 0.177
local terms energy: -186.821583
where:
bonds (distance) C4'-P energy: -37.523
bonds (distance) P-C4' energy: -33.761
flat angles C4'-P-C4' energy: -44.261
flat angles P-C4'-P energy: -24.379
tors. eta vs tors. theta energy: -46.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -553.365783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.365783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.365783 (E_RNA)
where:
Base-Base interactions energy: -367.798
where: short stacking energy: -157.890
Base-Backbone interact. energy: -0.897
local terms energy: -184.670348
where:
bonds (distance) C4'-P energy: -38.788
bonds (distance) P-C4' energy: -38.393
flat angles C4'-P-C4' energy: -42.919
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: -41.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -533.974036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.974036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.974036 (E_RNA)
where:
Base-Base interactions energy: -354.486
where: short stacking energy: -158.361
Base-Backbone interact. energy: -1.086
local terms energy: -178.402482
where:
bonds (distance) C4'-P energy: -37.623
bonds (distance) P-C4' energy: -34.200
flat angles C4'-P-C4' energy: -40.601
flat angles P-C4'-P energy: -25.703
tors. eta vs tors. theta energy: -40.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -456.509443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.509443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.509443 (E_RNA)
where:
Base-Base interactions energy: -293.036
where: short stacking energy: -151.207
Base-Backbone interact. energy: -0.554
local terms energy: -162.919439
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -32.460
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -24.959
tors. eta vs tors. theta energy: -38.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -438.112177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.112177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.112177 (E_RNA)
where:
Base-Base interactions energy: -277.616
where: short stacking energy: -113.924
Base-Backbone interact. energy: -0.319
local terms energy: -160.176550
where:
bonds (distance) C4'-P energy: -37.808
bonds (distance) P-C4' energy: -39.593
flat angles C4'-P-C4' energy: -33.257
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -27.463
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: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -289.550533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.550533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.550533 (E_RNA)
where:
Base-Base interactions energy: -161.453
where: short stacking energy: -92.172
Base-Backbone interact. energy: 1.396
local terms energy: -129.493453
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -11.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -176.209496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.209496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.209496 (E_RNA)
where:
Base-Base interactions energy: -73.587
where: short stacking energy: -72.345
Base-Backbone interact. energy: -1.168
local terms energy: -101.454815
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -35.390
flat angles C4'-P-C4' energy: -35.782
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: 1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -161.095412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.095412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.095412 (E_RNA)
where:
Base-Base interactions energy: -48.296
where: short stacking energy: -46.590
Base-Backbone interact. energy: 2.238
local terms energy: -115.037757
where:
bonds (distance) C4'-P energy: -35.378
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -35.200
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: 8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -636.590982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.590982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.590982 (E_RNA)
where:
Base-Base interactions energy: -432.151
where: short stacking energy: -187.033
Base-Backbone interact. energy: -1.320
local terms energy: -203.120078
where:
bonds (distance) C4'-P energy: -31.640
bonds (distance) P-C4' energy: -45.871
flat angles C4'-P-C4' energy: -42.650
flat angles P-C4'-P energy: -28.306
tors. eta vs tors. theta energy: -54.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -607.991866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.991866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.991866 (E_RNA)
where:
Base-Base interactions energy: -419.165
where: short stacking energy: -178.535
Base-Backbone interact. energy: -2.026
local terms energy: -186.799971
where:
bonds (distance) C4'-P energy: -37.896
bonds (distance) P-C4' energy: -30.685
flat angles C4'-P-C4' energy: -41.614
flat angles P-C4'-P energy: -26.518
tors. eta vs tors. theta energy: -50.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -591.599740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.599740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.599740 (E_RNA)
where:
Base-Base interactions energy: -395.180
where: short stacking energy: -176.800
Base-Backbone interact. energy: -0.184
local terms energy: -196.235141
where:
bonds (distance) C4'-P energy: -41.014
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -39.729
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -53.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -549.793598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.793598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.793598 (E_RNA)
where:
Base-Base interactions energy: -370.553
where: short stacking energy: -170.674
Base-Backbone interact. energy: 2.104
local terms energy: -181.344772
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -34.917
flat angles P-C4'-P energy: -28.502
tors. eta vs tors. theta energy: -51.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -537.923257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.923257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.923257 (E_RNA)
where:
Base-Base interactions energy: -367.423
where: short stacking energy: -147.150
Base-Backbone interact. energy: -0.180
local terms energy: -170.320530
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -37.239
flat angles C4'-P-C4' energy: -40.704
flat angles P-C4'-P energy: -24.231
tors. eta vs tors. theta energy: -35.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -458.067925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.067925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.067925 (E_RNA)
where:
Base-Base interactions energy: -303.089
where: short stacking energy: -123.372
Base-Backbone interact. energy: -0.409
local terms energy: -154.570398
where:
bonds (distance) C4'-P energy: -30.393
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -38.786
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -33.653
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: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -380.205340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.205340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.205340 (E_RNA)
where:
Base-Base interactions energy: -212.843
where: short stacking energy: -113.339
Base-Backbone interact. energy: -0.524
local terms energy: -166.838353
where:
bonds (distance) C4'-P energy: -30.386
bonds (distance) P-C4' energy: -38.351
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -29.567
tors. eta vs tors. theta energy: -33.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -271.638300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.638300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.638300 (E_RNA)
where:
Base-Base interactions energy: -148.466
where: short stacking energy: -89.721
Base-Backbone interact. energy: -1.484
local terms energy: -121.688931
where:
bonds (distance) C4'-P energy: -28.040
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -9.967
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: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -197.293356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.293356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.293356 (E_RNA)
where:
Base-Base interactions energy: -97.918
where: short stacking energy: -64.982
Base-Backbone interact. energy: 0.822
local terms energy: -100.197227
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -22.259
tors. eta vs tors. theta energy: -1.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -165.124424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.124424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.124424 (E_RNA)
where:
Base-Base interactions energy: -49.086
where: short stacking energy: -48.353
Base-Backbone interact. energy: 0.280
local terms energy: -116.318152
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -40.242
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -634.918464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.918464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.918464 (E_RNA)
where:
Base-Base interactions energy: -435.770
where: short stacking energy: -189.998
Base-Backbone interact. energy: -0.813
local terms energy: -198.335076
where:
bonds (distance) C4'-P energy: -40.259
bonds (distance) P-C4' energy: -36.284
flat angles C4'-P-C4' energy: -38.463
flat angles P-C4'-P energy: -31.514
tors. eta vs tors. theta energy: -51.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -624.483424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.483424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.483424 (E_RNA)
where:
Base-Base interactions energy: -429.588
where: short stacking energy: -176.278
Base-Backbone interact. energy: -1.215
local terms energy: -193.680215
where:
bonds (distance) C4'-P energy: -35.988
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -44.571
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: -52.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -573.358301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.358301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.358301 (E_RNA)
where:
Base-Base interactions energy: -383.580
where: short stacking energy: -173.019
Base-Backbone interact. energy: -2.109
local terms energy: -187.668942
where:
bonds (distance) C4'-P energy: -40.346
bonds (distance) P-C4' energy: -31.843
flat angles C4'-P-C4' energy: -35.073
flat angles P-C4'-P energy: -30.952
tors. eta vs tors. theta energy: -49.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -588.744624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.744624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.744624 (E_RNA)
where:
Base-Base interactions energy: -401.958
where: short stacking energy: -183.711
Base-Backbone interact. energy: -0.114
local terms energy: -186.672740
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -34.437
flat angles C4'-P-C4' energy: -40.290
flat angles P-C4'-P energy: -21.092
tors. eta vs tors. theta energy: -61.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -525.968414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.968414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.968414 (E_RNA)
where:
Base-Base interactions energy: -359.335
where: short stacking energy: -146.517
Base-Backbone interact. energy: -3.072
local terms energy: -163.561681
where:
bonds (distance) C4'-P energy: -35.959
bonds (distance) P-C4' energy: -31.830
flat angles C4'-P-C4' energy: -34.917
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: -37.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -457.409868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.409868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.409868 (E_RNA)
where:
Base-Base interactions energy: -288.925
where: short stacking energy: -127.484
Base-Backbone interact. energy: 0.934
local terms energy: -169.419101
where:
bonds (distance) C4'-P energy: -34.748
bonds (distance) P-C4' energy: -39.027
flat angles C4'-P-C4' energy: -35.275
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: -34.373
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: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -378.490158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.490158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.490158 (E_RNA)
where:
Base-Base interactions energy: -226.311
where: short stacking energy: -113.871
Base-Backbone interact. energy: -0.457
local terms energy: -151.722563
where:
bonds (distance) C4'-P energy: -38.532
bonds (distance) P-C4' energy: -31.139
flat angles C4'-P-C4' energy: -32.154
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -29.377
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: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -297.383920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.383920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.383920 (E_RNA)
where:
Base-Base interactions energy: -163.296
where: short stacking energy: -82.745
Base-Backbone interact. energy: -0.582
local terms energy: -133.506619
where:
bonds (distance) C4'-P energy: -35.859
bonds (distance) P-C4' energy: -37.367
flat angles C4'-P-C4' energy: -30.786
flat angles P-C4'-P energy: -23.226
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -198.398706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.398706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.398706 (E_RNA)
where:
Base-Base interactions energy: -87.042
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.473
local terms energy: -110.883634
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -27.033
flat angles C4'-P-C4' energy: -29.604
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -2.604
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: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -186.115257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.115257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.115257 (E_RNA)
where:
Base-Base interactions energy: -77.560
where: short stacking energy: -59.545
Base-Backbone interact. energy: 4.325
local terms energy: -112.880405
where:
bonds (distance) C4'-P energy: -28.716
bonds (distance) P-C4' energy: -40.225
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: 4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -631.423716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.423716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.423716 (E_RNA)
where:
Base-Base interactions energy: -438.993
where: short stacking energy: -183.898
Base-Backbone interact. energy: -1.179
local terms energy: -191.251417
where:
bonds (distance) C4'-P energy: -40.922
bonds (distance) P-C4' energy: -37.125
flat angles C4'-P-C4' energy: -38.780
flat angles P-C4'-P energy: -25.756
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: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -602.105954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.105954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.105954 (E_RNA)
where:
Base-Base interactions energy: -402.714
where: short stacking energy: -167.443
Base-Backbone interact. energy: -1.411
local terms energy: -197.980721
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -34.580
flat angles C4'-P-C4' energy: -45.723
flat angles P-C4'-P energy: -34.153
tors. eta vs tors. theta energy: -46.715
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: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -557.052110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.052110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.052110 (E_RNA)
where:
Base-Base interactions energy: -374.452
where: short stacking energy: -177.781
Base-Backbone interact. energy: -0.411
local terms energy: -182.188724
where:
bonds (distance) C4'-P energy: -33.242
bonds (distance) P-C4' energy: -37.932
flat angles C4'-P-C4' energy: -40.645
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -48.264
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: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -548.550389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.550389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.550389 (E_RNA)
where:
Base-Base interactions energy: -374.763
where: short stacking energy: -152.634
Base-Backbone interact. energy: -0.280
local terms energy: -173.507680
where:
bonds (distance) C4'-P energy: -32.948
bonds (distance) P-C4' energy: -39.003
flat angles C4'-P-C4' energy: -44.946
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -36.462
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: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -546.048776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.048776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.048776 (E_RNA)
where:
Base-Base interactions energy: -372.583
where: short stacking energy: -166.321
Base-Backbone interact. energy: -0.094
local terms energy: -173.371551
where:
bonds (distance) C4'-P energy: -29.597
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -39.968
flat angles P-C4'-P energy: -20.877
tors. eta vs tors. theta energy: -43.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -455.731830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.731830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.731830 (E_RNA)
where:
Base-Base interactions energy: -273.975
where: short stacking energy: -131.953
Base-Backbone interact. energy: -0.416
local terms energy: -181.340784
where:
bonds (distance) C4'-P energy: -36.573
bonds (distance) P-C4' energy: -38.044
flat angles C4'-P-C4' energy: -40.808
flat angles P-C4'-P energy: -29.000
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: 7, replica: 2
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -390.706176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.706176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.706176 (E_RNA)
where:
Base-Base interactions energy: -232.476
where: short stacking energy: -113.789
Base-Backbone interact. energy: -0.420
local terms energy: -157.810311
where:
bonds (distance) C4'-P energy: -36.303
bonds (distance) P-C4' energy: -39.119
flat angles C4'-P-C4' energy: -36.897
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -287.109726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.109726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.109726 (E_RNA)
where:
Base-Base interactions energy: -149.981
where: short stacking energy: -79.649
Base-Backbone interact. energy: 1.782
local terms energy: -138.909883
where:
bonds (distance) C4'-P energy: -39.428
bonds (distance) P-C4' energy: -36.057
flat angles C4'-P-C4' energy: -30.461
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -204.277287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.277287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.277287 (E_RNA)
where:
Base-Base interactions energy: -79.872
where: short stacking energy: -55.453
Base-Backbone interact. energy: -2.534
local terms energy: -121.870846
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -34.774
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -166.145659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.145659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.145659 (E_RNA)
where:
Base-Base interactions energy: -59.880
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.639
local terms energy: -105.627216
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -33.703
flat angles C4'-P-C4' energy: -24.455
flat angles P-C4'-P energy: -22.110
tors. eta vs tors. theta energy: 8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -638.473006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.473006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.473006 (E_RNA)
where:
Base-Base interactions energy: -443.810
where: short stacking energy: -178.561
Base-Backbone interact. energy: -0.639
local terms energy: -194.023955
where:
bonds (distance) C4'-P energy: -39.924
bonds (distance) P-C4' energy: -32.802
flat angles C4'-P-C4' energy: -43.175
flat angles P-C4'-P energy: -26.405
tors. eta vs tors. theta energy: -51.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -608.503822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.503822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.503822 (E_RNA)
where:
Base-Base interactions energy: -406.341
where: short stacking energy: -185.972
Base-Backbone interact. energy: -1.651
local terms energy: -200.511509
where:
bonds (distance) C4'-P energy: -36.992
bonds (distance) P-C4' energy: -41.819
flat angles C4'-P-C4' energy: -42.633
flat angles P-C4'-P energy: -27.427
tors. eta vs tors. theta energy: -51.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -566.747491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.747491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.747491 (E_RNA)
where:
Base-Base interactions energy: -382.844
where: short stacking energy: -156.236
Base-Backbone interact. energy: 2.469
local terms energy: -186.371849
where:
bonds (distance) C4'-P energy: -34.213
bonds (distance) P-C4' energy: -44.824
flat angles C4'-P-C4' energy: -43.180
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -38.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -554.198258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.198258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.198258 (E_RNA)
where:
Base-Base interactions energy: -375.087
where: short stacking energy: -165.000
Base-Backbone interact. energy: 0.314
local terms energy: -179.424763
where:
bonds (distance) C4'-P energy: -32.894
bonds (distance) P-C4' energy: -34.394
flat angles C4'-P-C4' energy: -39.655
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: -47.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -540.778230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.778230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.778230 (E_RNA)
where:
Base-Base interactions energy: -342.076
where: short stacking energy: -161.532
Base-Backbone interact. energy: -2.267
local terms energy: -196.434999
where:
bonds (distance) C4'-P energy: -41.793
bonds (distance) P-C4' energy: -37.747
flat angles C4'-P-C4' energy: -33.051
flat angles P-C4'-P energy: -35.779
tors. eta vs tors. theta energy: -48.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -475.721318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.721318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.721318 (E_RNA)
where:
Base-Base interactions energy: -308.581
where: short stacking energy: -137.867
Base-Backbone interact. energy: -0.146
local terms energy: -166.994472
where:
bonds (distance) C4'-P energy: -37.272
bonds (distance) P-C4' energy: -41.315
flat angles C4'-P-C4' energy: -30.323
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -35.727
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: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -356.776367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.776367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.776367 (E_RNA)
where:
Base-Base interactions energy: -222.235
where: short stacking energy: -108.635
Base-Backbone interact. energy: -0.673
local terms energy: -133.868557
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -34.483
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -292.604178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.604178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.604178 (E_RNA)
where:
Base-Base interactions energy: -140.048
where: short stacking energy: -85.812
Base-Backbone interact. energy: -1.129
local terms energy: -151.427738
where:
bonds (distance) C4'-P energy: -33.627
bonds (distance) P-C4' energy: -33.769
flat angles C4'-P-C4' energy: -39.757
flat angles P-C4'-P energy: -23.635
tors. eta vs tors. theta energy: -20.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -193.616336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.616336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.616336 (E_RNA)
where:
Base-Base interactions energy: -61.429
where: short stacking energy: -55.993
Base-Backbone interact. energy: 0.251
local terms energy: -132.437831
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -41.908
flat angles C4'-P-C4' energy: -28.662
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -9.416
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: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -163.836419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.836419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.836419 (E_RNA)
where:
Base-Base interactions energy: -54.053
where: short stacking energy: -43.470
Base-Backbone interact. energy: 0.725
local terms energy: -110.508771
where:
bonds (distance) C4'-P energy: -37.573
bonds (distance) P-C4' energy: -35.224
flat angles C4'-P-C4' energy: -26.775
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: 6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -626.452278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.452278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.452278 (E_RNA)
where:
Base-Base interactions energy: -430.118
where: short stacking energy: -182.936
Base-Backbone interact. energy: -0.790
local terms energy: -195.543535
where:
bonds (distance) C4'-P energy: -41.302
bonds (distance) P-C4' energy: -39.898
flat angles C4'-P-C4' energy: -39.558
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -45.789
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: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -622.730797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.730797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.730797 (E_RNA)
where:
Base-Base interactions energy: -417.449
where: short stacking energy: -186.967
Base-Backbone interact. energy: 1.429
local terms energy: -206.711221
where:
bonds (distance) C4'-P energy: -36.769
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -44.261
flat angles P-C4'-P energy: -28.319
tors. eta vs tors. theta energy: -59.203
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: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -566.945631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.945631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.945631 (E_RNA)
where:
Base-Base interactions energy: -394.015
where: short stacking energy: -161.537
Base-Backbone interact. energy: -1.698
local terms energy: -171.232841
where:
bonds (distance) C4'-P energy: -33.098
bonds (distance) P-C4' energy: -37.745
flat angles C4'-P-C4' energy: -43.585
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -43.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -546.522625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.522625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.522625 (E_RNA)
where:
Base-Base interactions energy: -358.657
where: short stacking energy: -160.750
Base-Backbone interact. energy: -0.484
local terms energy: -187.382185
where:
bonds (distance) C4'-P energy: -38.546
bonds (distance) P-C4' energy: -34.880
flat angles C4'-P-C4' energy: -41.686
flat angles P-C4'-P energy: -24.736
tors. eta vs tors. theta energy: -47.534
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: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -549.181708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.181708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.181708 (E_RNA)
where:
Base-Base interactions energy: -378.402
where: short stacking energy: -160.315
Base-Backbone interact. energy: -1.851
local terms energy: -168.928588
where:
bonds (distance) C4'-P energy: -37.796
bonds (distance) P-C4' energy: -27.326
flat angles C4'-P-C4' energy: -37.317
flat angles P-C4'-P energy: -22.417
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: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -467.354394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.354394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.354394 (E_RNA)
where:
Base-Base interactions energy: -306.485
where: short stacking energy: -145.564
Base-Backbone interact. energy: -0.435
local terms energy: -160.434353
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -36.397
flat angles C4'-P-C4' energy: -38.589
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -33.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -390.345388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.345388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.345388 (E_RNA)
where:
Base-Base interactions energy: -228.205
where: short stacking energy: -95.754
Base-Backbone interact. energy: -0.233
local terms energy: -161.907226
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -39.395
flat angles C4'-P-C4' energy: -35.682
flat angles P-C4'-P energy: -26.127
tors. eta vs tors. theta energy: -30.618
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: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -263.956745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.956745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.956745 (E_RNA)
where:
Base-Base interactions energy: -147.707
where: short stacking energy: -90.434
Base-Backbone interact. energy: -0.344
local terms energy: -115.905082
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -32.454
flat angles C4'-P-C4' energy: -34.566
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -7.870
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: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -179.206313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.206313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.206313 (E_RNA)
where:
Base-Base interactions energy: -62.057
where: short stacking energy: -55.901
Base-Backbone interact. energy: 2.153
local terms energy: -119.302273
where:
bonds (distance) C4'-P energy: -36.582
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -31.986
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -180.110002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.110002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.110002 (E_RNA)
where:
Base-Base interactions energy: -62.550
where: short stacking energy: -39.760
Base-Backbone interact. energy: -2.226
local terms energy: -115.333646
where:
bonds (distance) C4'-P energy: -34.397
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -22.660
tors. eta vs tors. theta energy: 6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -623.830145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.830145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.830145 (E_RNA)
where:
Base-Base interactions energy: -427.832
where: short stacking energy: -180.015
Base-Backbone interact. energy: -1.034
local terms energy: -194.963511
where:
bonds (distance) C4'-P energy: -36.981
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -41.618
flat angles P-C4'-P energy: -23.375
tors. eta vs tors. theta energy: -53.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -612.926997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.926997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.926997 (E_RNA)
where:
Base-Base interactions energy: -415.281
where: short stacking energy: -188.141
Base-Backbone interact. energy: 0.193
local terms energy: -197.839094
where:
bonds (distance) C4'-P energy: -38.122
bonds (distance) P-C4' energy: -38.929
flat angles C4'-P-C4' energy: -43.583
flat angles P-C4'-P energy: -21.985
tors. eta vs tors. theta energy: -55.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -572.245494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.245494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.245494 (E_RNA)
where:
Base-Base interactions energy: -377.581
where: short stacking energy: -167.066
Base-Backbone interact. energy: -0.444
local terms energy: -194.220457
where:
bonds (distance) C4'-P energy: -39.953
bonds (distance) P-C4' energy: -41.494
flat angles C4'-P-C4' energy: -41.564
flat angles P-C4'-P energy: -21.546
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: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -559.665253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.665253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.665253 (E_RNA)
where:
Base-Base interactions energy: -370.597
where: short stacking energy: -160.589
Base-Backbone interact. energy: -3.704
local terms energy: -185.363991
where:
bonds (distance) C4'-P energy: -38.312
bonds (distance) P-C4' energy: -39.073
flat angles C4'-P-C4' energy: -36.883
flat angles P-C4'-P energy: -28.206
tors. eta vs tors. theta energy: -42.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -525.819941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.819941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.819941 (E_RNA)
where:
Base-Base interactions energy: -348.681
where: short stacking energy: -161.598
Base-Backbone interact. energy: -0.485
local terms energy: -176.654004
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -34.622
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -43.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -455.865544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.865544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.865544 (E_RNA)
where:
Base-Base interactions energy: -289.397
where: short stacking energy: -131.620
Base-Backbone interact. energy: -0.545
local terms energy: -165.922661
where:
bonds (distance) C4'-P energy: -36.538
bonds (distance) P-C4' energy: -35.925
flat angles C4'-P-C4' energy: -33.784
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -35.971
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: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -393.926023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.926023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.926023 (E_RNA)
where:
Base-Base interactions energy: -240.619
where: short stacking energy: -102.683
Base-Backbone interact. energy: -0.907
local terms energy: -152.400369
where:
bonds (distance) C4'-P energy: -37.414
bonds (distance) P-C4' energy: -33.436
flat angles C4'-P-C4' energy: -32.322
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -26.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -266.639440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.639440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.639440 (E_RNA)
where:
Base-Base interactions energy: -144.507
where: short stacking energy: -82.663
Base-Backbone interact. energy: 0.814
local terms energy: -122.946171
where:
bonds (distance) C4'-P energy: -35.785
bonds (distance) P-C4' energy: -30.103
flat angles C4'-P-C4' energy: -30.935
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -187.481200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.481200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.481200 (E_RNA)
where:
Base-Base interactions energy: -62.495
where: short stacking energy: -51.912
Base-Backbone interact. energy: 0.030
local terms energy: -125.016836
where:
bonds (distance) C4'-P energy: -33.829
bonds (distance) P-C4' energy: -38.869
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -18.749
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: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -185.007290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.007290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.007290 (E_RNA)
where:
Base-Base interactions energy: -61.414
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.897
local terms energy: -122.696831
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -37.841
flat angles C4'-P-C4' energy: -35.539
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -613.812668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.812668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.812668 (E_RNA)
where:
Base-Base interactions energy: -413.305
where: short stacking energy: -184.789
Base-Backbone interact. energy: -0.521
local terms energy: -199.986664
where:
bonds (distance) C4'-P energy: -36.415
bonds (distance) P-C4' energy: -42.236
flat angles C4'-P-C4' energy: -44.316
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -50.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -598.423889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.423889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.423889 (E_RNA)
where:
Base-Base interactions energy: -400.327
where: short stacking energy: -173.243
Base-Backbone interact. energy: -1.419
local terms energy: -196.677441
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -38.478
flat angles C4'-P-C4' energy: -40.947
flat angles P-C4'-P energy: -28.482
tors. eta vs tors. theta energy: -54.643
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: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -570.500728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.500728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.500728 (E_RNA)
where:
Base-Base interactions energy: -362.802
where: short stacking energy: -171.807
Base-Backbone interact. energy: -0.642
local terms energy: -207.056403
where:
bonds (distance) C4'-P energy: -38.889
bonds (distance) P-C4' energy: -43.393
flat angles C4'-P-C4' energy: -46.713
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -51.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -559.993402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.993402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.993402 (E_RNA)
where:
Base-Base interactions energy: -359.956
where: short stacking energy: -157.599
Base-Backbone interact. energy: -1.923
local terms energy: -198.114767
where:
bonds (distance) C4'-P energy: -38.699
bonds (distance) P-C4' energy: -41.102
flat angles C4'-P-C4' energy: -39.733
flat angles P-C4'-P energy: -28.262
tors. eta vs tors. theta energy: -50.319
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: 5, replica: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -535.564883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.564883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.564883 (E_RNA)
where:
Base-Base interactions energy: -364.878
where: short stacking energy: -158.144
Base-Backbone interact. energy: -0.101
local terms energy: -170.585257
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -38.583
flat angles C4'-P-C4' energy: -39.211
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -38.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -457.262936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.262936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.262936 (E_RNA)
where:
Base-Base interactions energy: -290.490
where: short stacking energy: -131.456
Base-Backbone interact. energy: -0.836
local terms energy: -165.936201
where:
bonds (distance) C4'-P energy: -33.114
bonds (distance) P-C4' energy: -35.402
flat angles C4'-P-C4' energy: -37.792
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -38.497
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: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -366.740352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.740352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.740352 (E_RNA)
where:
Base-Base interactions energy: -220.589
where: short stacking energy: -112.409
Base-Backbone interact. energy: 0.631
local terms energy: -146.782916
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -31.571
flat angles C4'-P-C4' energy: -37.691
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -267.774284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.774284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.774284 (E_RNA)
where:
Base-Base interactions energy: -139.220
where: short stacking energy: -83.568
Base-Backbone interact. energy: -1.226
local terms energy: -127.328586
where:
bonds (distance) C4'-P energy: -33.810
bonds (distance) P-C4' energy: -26.594
flat angles C4'-P-C4' energy: -33.032
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -10.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -187.913887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.913887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.913887 (E_RNA)
where:
Base-Base interactions energy: -69.205
where: short stacking energy: -64.344
Base-Backbone interact. energy: -0.281
local terms energy: -118.428496
where:
bonds (distance) C4'-P energy: -26.792
bonds (distance) P-C4' energy: -39.590
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -159.939309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.939309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.939309 (E_RNA)
where:
Base-Base interactions energy: -64.180
where: short stacking energy: -52.569
Base-Backbone interact. energy: -0.496
local terms energy: -95.263582
where:
bonds (distance) C4'-P energy: -29.386
bonds (distance) P-C4' energy: -36.369
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: 2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -630.348949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.348949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.348949 (E_RNA)
where:
Base-Base interactions energy: -424.564
where: short stacking energy: -199.105
Base-Backbone interact. energy: 0.104
local terms energy: -205.889220
where:
bonds (distance) C4'-P energy: -43.333
bonds (distance) P-C4' energy: -37.960
flat angles C4'-P-C4' energy: -45.351
flat angles P-C4'-P energy: -25.336
tors. eta vs tors. theta energy: -53.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -613.815479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.815479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.815479 (E_RNA)
where:
Base-Base interactions energy: -413.670
where: short stacking energy: -186.146
Base-Backbone interact. energy: 0.117
local terms energy: -200.262261
where:
bonds (distance) C4'-P energy: -42.180
bonds (distance) P-C4' energy: -37.008
flat angles C4'-P-C4' energy: -38.479
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -56.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -600.141866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.141866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.141866 (E_RNA)
where:
Base-Base interactions energy: -400.454
where: short stacking energy: -179.077
Base-Backbone interact. energy: -0.906
local terms energy: -198.782624
where:
bonds (distance) C4'-P energy: -41.489
bonds (distance) P-C4' energy: -38.364
flat angles C4'-P-C4' energy: -38.963
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -56.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -547.307657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.307657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.307657 (E_RNA)
where:
Base-Base interactions energy: -357.941
where: short stacking energy: -157.935
Base-Backbone interact. energy: -1.153
local terms energy: -188.213410
where:
bonds (distance) C4'-P energy: -30.840
bonds (distance) P-C4' energy: -37.744
flat angles C4'-P-C4' energy: -45.995
flat angles P-C4'-P energy: -27.384
tors. eta vs tors. theta energy: -46.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -493.243725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.243725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.243725 (E_RNA)
where:
Base-Base interactions energy: -317.703
where: short stacking energy: -139.984
Base-Backbone interact. energy: -0.479
local terms energy: -175.061781
where:
bonds (distance) C4'-P energy: -35.765
bonds (distance) P-C4' energy: -39.095
flat angles C4'-P-C4' energy: -40.240
flat angles P-C4'-P energy: -26.412
tors. eta vs tors. theta energy: -33.550
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: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -509.263814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.263814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.263814 (E_RNA)
where:
Base-Base interactions energy: -354.441
where: short stacking energy: -142.159
Base-Backbone interact. energy: -0.650
local terms energy: -154.172703
where:
bonds (distance) C4'-P energy: -24.763
bonds (distance) P-C4' energy: -30.002
flat angles C4'-P-C4' energy: -44.272
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -31.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -381.316686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.316686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.316686 (E_RNA)
where:
Base-Base interactions energy: -233.116
where: short stacking energy: -108.374
Base-Backbone interact. energy: -2.261
local terms energy: -145.938980
where:
bonds (distance) C4'-P energy: -40.104
bonds (distance) P-C4' energy: -32.970
flat angles C4'-P-C4' energy: -37.604
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -22.550
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: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -295.137832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.137832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.137832 (E_RNA)
where:
Base-Base interactions energy: -139.300
where: short stacking energy: -88.551
Base-Backbone interact. energy: -0.919
local terms energy: -154.919160
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -37.651
flat angles C4'-P-C4' energy: -32.055
flat angles P-C4'-P energy: -30.466
tors. eta vs tors. theta energy: -25.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -176.636861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.636861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.636861 (E_RNA)
where:
Base-Base interactions energy: -69.317
where: short stacking energy: -63.038
Base-Backbone interact. energy: -0.574
local terms energy: -106.746237
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -31.036
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -5.806
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: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -180.388060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.388060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.388060 (E_RNA)
where:
Base-Base interactions energy: -73.524
where: short stacking energy: -43.764
Base-Backbone interact. energy: -0.724
local terms energy: -106.139925
where:
bonds (distance) C4'-P energy: -22.419
bonds (distance) P-C4' energy: -32.056
flat angles C4'-P-C4' energy: -29.883
flat angles P-C4'-P energy: -21.343
tors. eta vs tors. theta energy: -0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -622.393093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.393093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.393093 (E_RNA)
where:
Base-Base interactions energy: -432.862
where: short stacking energy: -183.105
Base-Backbone interact. energy: -0.940
local terms energy: -188.590341
where:
bonds (distance) C4'-P energy: -29.759
bonds (distance) P-C4' energy: -34.861
flat angles C4'-P-C4' energy: -44.060
flat angles P-C4'-P energy: -29.251
tors. eta vs tors. theta energy: -50.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -604.713869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.713869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.713869 (E_RNA)
where:
Base-Base interactions energy: -417.940
where: short stacking energy: -185.596
Base-Backbone interact. energy: -1.060
local terms energy: -185.714164
where:
bonds (distance) C4'-P energy: -30.298
bonds (distance) P-C4' energy: -34.975
flat angles C4'-P-C4' energy: -42.309
flat angles P-C4'-P energy: -26.345
tors. eta vs tors. theta energy: -51.788
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: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -593.374670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.374670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.374670 (E_RNA)
where:
Base-Base interactions energy: -396.496
where: short stacking energy: -189.582
Base-Backbone interact. energy: 0.450
local terms energy: -197.328009
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -35.953
flat angles C4'-P-C4' energy: -41.334
flat angles P-C4'-P energy: -25.842
tors. eta vs tors. theta energy: -57.770
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: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -512.225355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.225355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.225355 (E_RNA)
where:
Base-Base interactions energy: -346.639
where: short stacking energy: -144.146
Base-Backbone interact. energy: -1.334
local terms energy: -164.251816
where:
bonds (distance) C4'-P energy: -33.270
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -38.224
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -37.606
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: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -497.138393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.138393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.138393 (E_RNA)
where:
Base-Base interactions energy: -322.690
where: short stacking energy: -136.851
Base-Backbone interact. energy: -0.480
local terms energy: -173.969235
where:
bonds (distance) C4'-P energy: -28.322
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -41.345
flat angles P-C4'-P energy: -29.505
tors. eta vs tors. theta energy: -37.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -509.725643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.725643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.725643 (E_RNA)
where:
Base-Base interactions energy: -333.969
where: short stacking energy: -141.577
Base-Backbone interact. energy: -0.282
local terms energy: -175.474012
where:
bonds (distance) C4'-P energy: -42.405
bonds (distance) P-C4' energy: -39.394
flat angles C4'-P-C4' energy: -37.545
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -33.475
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: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -418.568929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.568929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.568929 (E_RNA)
where:
Base-Base interactions energy: -266.114
where: short stacking energy: -120.128
Base-Backbone interact. energy: 0.555
local terms energy: -153.009898
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -44.222
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -29.993
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: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -180.267853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.267853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.267853 (E_RNA)
where:
Base-Base interactions energy: -65.767
where: short stacking energy: -59.440
Base-Backbone interact. energy: -0.680
local terms energy: -113.820599
where:
bonds (distance) C4'-P energy: -39.527
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -28.492
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: 12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -306.215819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.215819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.215819 (E_RNA)
where:
Base-Base interactions energy: -182.532
where: short stacking energy: -73.209
Base-Backbone interact. energy: -0.385
local terms energy: -123.299112
where:
bonds (distance) C4'-P energy: -35.808
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -21.594
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -176.874419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.874419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.874419 (E_RNA)
where:
Base-Base interactions energy: -80.339
where: short stacking energy: -57.383
Base-Backbone interact. energy: -0.474
local terms energy: -96.061246
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -32.125
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: 2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -635.441568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.441568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.441568 (E_RNA)
where:
Base-Base interactions energy: -436.781
where: short stacking energy: -181.708
Base-Backbone interact. energy: -1.281
local terms energy: -197.379929
where:
bonds (distance) C4'-P energy: -35.680
bonds (distance) P-C4' energy: -35.849
flat angles C4'-P-C4' energy: -38.808
flat angles P-C4'-P energy: -32.078
tors. eta vs tors. theta energy: -54.965
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: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -597.976311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.976311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.976311 (E_RNA)
where:
Base-Base interactions energy: -389.270
where: short stacking energy: -170.242
Base-Backbone interact. energy: -0.755
local terms energy: -207.951528
where:
bonds (distance) C4'-P energy: -41.594
bonds (distance) P-C4' energy: -40.436
flat angles C4'-P-C4' energy: -41.643
flat angles P-C4'-P energy: -33.138
tors. eta vs tors. theta energy: -51.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -590.832369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.832369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.832369 (E_RNA)
where:
Base-Base interactions energy: -388.477
where: short stacking energy: -185.150
Base-Backbone interact. energy: -0.978
local terms energy: -201.377353
where:
bonds (distance) C4'-P energy: -36.228
bonds (distance) P-C4' energy: -40.178
flat angles C4'-P-C4' energy: -43.245
flat angles P-C4'-P energy: -25.919
tors. eta vs tors. theta energy: -55.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -518.124052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.124052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.124052 (E_RNA)
where:
Base-Base interactions energy: -353.305
where: short stacking energy: -169.321
Base-Backbone interact. energy: 0.114
local terms energy: -164.932339
where:
bonds (distance) C4'-P energy: -33.997
bonds (distance) P-C4' energy: -28.928
flat angles C4'-P-C4' energy: -38.569
flat angles P-C4'-P energy: -20.778
tors. eta vs tors. theta energy: -42.660
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: 5, replica: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -495.187326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.187326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.187326 (E_RNA)
where:
Base-Base interactions energy: -336.680
where: short stacking energy: -140.374
Base-Backbone interact. energy: 6.346
local terms energy: -164.853673
where:
bonds (distance) C4'-P energy: -32.500
bonds (distance) P-C4' energy: -33.099
flat angles C4'-P-C4' energy: -41.598
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -35.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -475.552418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.552418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.552418 (E_RNA)
where:
Base-Base interactions energy: -311.776
where: short stacking energy: -138.661
Base-Backbone interact. energy: -1.299
local terms energy: -162.477684
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -42.478
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -37.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -389.075842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.075842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.075842 (E_RNA)
where:
Base-Base interactions energy: -251.897
where: short stacking energy: -118.896
Base-Backbone interact. energy: -1.227
local terms energy: -135.951355
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -20.447
tors. eta vs tors. theta energy: -31.661
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: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -222.909507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.909507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.909507 (E_RNA)
where:
Base-Base interactions energy: -100.500
where: short stacking energy: -67.287
Base-Backbone interact. energy: -1.011
local terms energy: -121.398209
where:
bonds (distance) C4'-P energy: -34.817
bonds (distance) P-C4' energy: -32.467
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -303.015386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.015386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.015386 (E_RNA)
where:
Base-Base interactions energy: -179.870
where: short stacking energy: -87.852
Base-Backbone interact. energy: -0.563
local terms energy: -122.582503
where:
bonds (distance) C4'-P energy: -31.064
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -34.612
flat angles P-C4'-P energy: -19.733
tors. eta vs tors. theta energy: -6.437
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: 140
Temperature: 1.350000
Total energy: -262.076829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.076829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.076829 (E_RNA)
where:
Base-Base interactions energy: -136.339
where: short stacking energy: -64.634
Base-Backbone interact. energy: -0.498
local terms energy: -125.239521
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -38.563
flat angles C4'-P-C4' energy: -34.953
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -649.976327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.976327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.976327 (E_RNA)
where:
Base-Base interactions energy: -434.311
where: short stacking energy: -186.477
Base-Backbone interact. energy: -1.706
local terms energy: -213.959342
where:
bonds (distance) C4'-P energy: -41.294
bonds (distance) P-C4' energy: -46.781
flat angles C4'-P-C4' energy: -43.952
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: -54.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -600.702641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.702641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.702641 (E_RNA)
where:
Base-Base interactions energy: -406.298
where: short stacking energy: -184.191
Base-Backbone interact. energy: -0.429
local terms energy: -193.976320
where:
bonds (distance) C4'-P energy: -38.634
bonds (distance) P-C4' energy: -34.965
flat angles C4'-P-C4' energy: -40.494
flat angles P-C4'-P energy: -30.120
tors. eta vs tors. theta energy: -49.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -560.778015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.778015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.778015 (E_RNA)
where:
Base-Base interactions energy: -380.946
where: short stacking energy: -172.620
Base-Backbone interact. energy: -1.437
local terms energy: -178.394318
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -33.153
flat angles P-C4'-P energy: -32.145
tors. eta vs tors. theta energy: -41.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -508.080551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.080551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.080551 (E_RNA)
where:
Base-Base interactions energy: -330.774
where: short stacking energy: -154.715
Base-Backbone interact. energy: 1.611
local terms energy: -178.917339
where:
bonds (distance) C4'-P energy: -36.270
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: -43.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -522.135801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.135801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.135801 (E_RNA)
where:
Base-Base interactions energy: -353.783
where: short stacking energy: -146.250
Base-Backbone interact. energy: -1.544
local terms energy: -166.808053
where:
bonds (distance) C4'-P energy: -39.299
bonds (distance) P-C4' energy: -41.057
flat angles C4'-P-C4' energy: -31.637
flat angles P-C4'-P energy: -23.745
tors. eta vs tors. theta energy: -31.071
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: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -477.584804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.584804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.584804 (E_RNA)
where:
Base-Base interactions energy: -303.968
where: short stacking energy: -128.042
Base-Backbone interact. energy: -1.552
local terms energy: -172.065241
where:
bonds (distance) C4'-P energy: -41.589
bonds (distance) P-C4' energy: -38.720
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: -34.543
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: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -433.387235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.387235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.387235 (E_RNA)
where:
Base-Base interactions energy: -269.929
where: short stacking energy: -122.970
Base-Backbone interact. energy: -0.374
local terms energy: -163.084444
where:
bonds (distance) C4'-P energy: -36.976
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -39.744
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -32.020
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: 141
Temperature: 1.250000
Total energy: -305.166502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.166502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.166502 (E_RNA)
where:
Base-Base interactions energy: -179.127
where: short stacking energy: -84.931
Base-Backbone interact. energy: 0.348
local terms energy: -126.387168
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -29.165
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -230.784232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.784232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.784232 (E_RNA)
where:
Base-Base interactions energy: -96.405
where: short stacking energy: -57.936
Base-Backbone interact. energy: 0.147
local terms energy: -134.526226
where:
bonds (distance) C4'-P energy: -37.196
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -35.171
flat angles P-C4'-P energy: -21.085
tors. eta vs tors. theta energy: -7.026
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: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -244.239621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.239621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.239621 (E_RNA)
where:
Base-Base interactions energy: -119.558
where: short stacking energy: -66.681
Base-Backbone interact. energy: -0.723
local terms energy: -123.958414
where:
bonds (distance) C4'-P energy: -33.508
bonds (distance) P-C4' energy: -32.515
flat angles C4'-P-C4' energy: -40.990
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -5.628
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: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -647.069907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.069907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.069907 (E_RNA)
where:
Base-Base interactions energy: -428.383
where: short stacking energy: -198.278
Base-Backbone interact. energy: -0.923
local terms energy: -217.763157
where:
bonds (distance) C4'-P energy: -36.453
bonds (distance) P-C4' energy: -48.283
flat angles C4'-P-C4' energy: -44.418
flat angles P-C4'-P energy: -28.813
tors. eta vs tors. theta energy: -59.796
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: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -604.188152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.188152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.188152 (E_RNA)
where:
Base-Base interactions energy: -411.742
where: short stacking energy: -196.529
Base-Backbone interact. energy: 0.860
local terms energy: -193.305810
where:
bonds (distance) C4'-P energy: -32.997
bonds (distance) P-C4' energy: -36.241
flat angles C4'-P-C4' energy: -43.732
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -56.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -551.320942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.320942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.320942 (E_RNA)
where:
Base-Base interactions energy: -371.563
where: short stacking energy: -156.337
Base-Backbone interact. energy: -1.270
local terms energy: -178.487511
where:
bonds (distance) C4'-P energy: -37.833
bonds (distance) P-C4' energy: -37.877
flat angles C4'-P-C4' energy: -33.034
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -46.268
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: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -543.098270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.098270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.098270 (E_RNA)
where:
Base-Base interactions energy: -342.277
where: short stacking energy: -158.451
Base-Backbone interact. energy: -0.745
local terms energy: -200.076211
where:
bonds (distance) C4'-P energy: -36.890
bonds (distance) P-C4' energy: -44.322
flat angles C4'-P-C4' energy: -43.590
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -48.987
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: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -515.207897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.207897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.207897 (E_RNA)
where:
Base-Base interactions energy: -354.521
where: short stacking energy: -150.334
Base-Backbone interact. energy: -0.101
local terms energy: -160.586025
where:
bonds (distance) C4'-P energy: -37.497
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -22.123
tors. eta vs tors. theta energy: -39.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -462.462588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.462588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.462588 (E_RNA)
where:
Base-Base interactions energy: -312.446
where: short stacking energy: -127.568
Base-Backbone interact. energy: 1.430
local terms energy: -151.446678
where:
bonds (distance) C4'-P energy: -30.005
bonds (distance) P-C4' energy: -40.639
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -28.142
tors. eta vs tors. theta energy: -24.795
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: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -405.496784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.496784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.496784 (E_RNA)
where:
Base-Base interactions energy: -257.489
where: short stacking energy: -131.324
Base-Backbone interact. energy: -0.125
local terms energy: -147.883236
where:
bonds (distance) C4'-P energy: -31.595
bonds (distance) P-C4' energy: -34.625
flat angles C4'-P-C4' energy: -34.936
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: -25.800
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: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -314.961158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.961158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.961158 (E_RNA)
where:
Base-Base interactions energy: -183.098
where: short stacking energy: -92.641
Base-Backbone interact. energy: 1.693
local terms energy: -133.555553
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -32.305
flat angles P-C4'-P energy: -21.711
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -261.754511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.754511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.754511 (E_RNA)
where:
Base-Base interactions energy: -147.214
where: short stacking energy: -89.610
Base-Backbone interact. energy: 3.408
local terms energy: -117.948264
where:
bonds (distance) C4'-P energy: -30.757
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -32.771
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -167.304007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.304007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.304007 (E_RNA)
where:
Base-Base interactions energy: -54.386
where: short stacking energy: -41.256
Base-Backbone interact. energy: -0.962
local terms energy: -111.955210
where:
bonds (distance) C4'-P energy: -35.271
bonds (distance) P-C4' energy: -37.707
flat angles C4'-P-C4' energy: -28.969
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: 3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -649.828359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.828359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.828359 (E_RNA)
where:
Base-Base interactions energy: -442.391
where: short stacking energy: -200.774
Base-Backbone interact. energy: -1.065
local terms energy: -206.372532
where:
bonds (distance) C4'-P energy: -39.688
bonds (distance) P-C4' energy: -36.780
flat angles C4'-P-C4' energy: -42.449
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -62.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -613.658628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.658628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.658628 (E_RNA)
where:
Base-Base interactions energy: -412.896
where: short stacking energy: -181.099
Base-Backbone interact. energy: -1.363
local terms energy: -199.399634
where:
bonds (distance) C4'-P energy: -38.984
bonds (distance) P-C4' energy: -42.806
flat angles C4'-P-C4' energy: -37.920
flat angles P-C4'-P energy: -27.465
tors. eta vs tors. theta energy: -52.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -565.322482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.322482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.322482 (E_RNA)
where:
Base-Base interactions energy: -370.223
where: short stacking energy: -161.235
Base-Backbone interact. energy: -0.714
local terms energy: -194.385311
where:
bonds (distance) C4'-P energy: -39.181
bonds (distance) P-C4' energy: -42.957
flat angles C4'-P-C4' energy: -34.490
flat angles P-C4'-P energy: -25.608
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: 4, replica: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -543.723475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.723475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.723475 (E_RNA)
where:
Base-Base interactions energy: -371.262
where: short stacking energy: -160.230
Base-Backbone interact. energy: 0.502
local terms energy: -172.963694
where:
bonds (distance) C4'-P energy: -41.051
bonds (distance) P-C4' energy: -36.760
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -27.110
tors. eta vs tors. theta energy: -34.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -542.364282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.364282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.364282 (E_RNA)
where:
Base-Base interactions energy: -359.398
where: short stacking energy: -152.763
Base-Backbone interact. energy: 1.285
local terms energy: -184.251364
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -42.102
flat angles C4'-P-C4' energy: -38.692
flat angles P-C4'-P energy: -28.792
tors. eta vs tors. theta energy: -43.472
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: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -454.444986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.444986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.444986 (E_RNA)
where:
Base-Base interactions energy: -298.662
where: short stacking energy: -145.178
Base-Backbone interact. energy: -0.183
local terms energy: -155.600326
where:
bonds (distance) C4'-P energy: -38.156
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -37.554
flat angles P-C4'-P energy: -25.585
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: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -403.502289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.502289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.502289 (E_RNA)
where:
Base-Base interactions energy: -258.037
where: short stacking energy: -129.421
Base-Backbone interact. energy: -0.709
local terms energy: -144.756208
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -33.953
flat angles C4'-P-C4' energy: -32.006
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -34.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -306.564571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.564571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.564571 (E_RNA)
where:
Base-Base interactions energy: -196.230
where: short stacking energy: -107.057
Base-Backbone interact. energy: -0.645
local terms energy: -109.689567
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -37.244
flat angles C4'-P-C4' energy: -26.390
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -260.037861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.037861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.037861 (E_RNA)
where:
Base-Base interactions energy: -130.041
where: short stacking energy: -76.319
Base-Backbone interact. energy: -0.403
local terms energy: -129.594175
where:
bonds (distance) C4'-P energy: -32.829
bonds (distance) P-C4' energy: -38.291
flat angles C4'-P-C4' energy: -27.295
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -162.712178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.712178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.712178 (E_RNA)
where:
Base-Base interactions energy: -49.085
where: short stacking energy: -42.256
Base-Backbone interact. energy: 1.373
local terms energy: -114.999906
where:
bonds (distance) C4'-P energy: -32.046
bonds (distance) P-C4' energy: -41.125
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: 1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -636.938760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.938760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.938760 (E_RNA)
where:
Base-Base interactions energy: -430.803
where: short stacking energy: -182.980
Base-Backbone interact. energy: -0.054
local terms energy: -206.082023
where:
bonds (distance) C4'-P energy: -37.136
bonds (distance) P-C4' energy: -41.961
flat angles C4'-P-C4' energy: -38.374
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -59.775
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: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -612.126982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.126982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.126982 (E_RNA)
where:
Base-Base interactions energy: -408.384
where: short stacking energy: -184.941
Base-Backbone interact. energy: -1.254
local terms energy: -202.488252
where:
bonds (distance) C4'-P energy: -39.322
bonds (distance) P-C4' energy: -38.549
flat angles C4'-P-C4' energy: -46.444
flat angles P-C4'-P energy: -26.279
tors. eta vs tors. theta energy: -51.895
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: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -581.043808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.043808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.043808 (E_RNA)
where:
Base-Base interactions energy: -390.039
where: short stacking energy: -175.955
Base-Backbone interact. energy: -0.730
local terms energy: -190.274756
where:
bonds (distance) C4'-P energy: -35.705
bonds (distance) P-C4' energy: -37.538
flat angles C4'-P-C4' energy: -42.345
flat angles P-C4'-P energy: -26.106
tors. eta vs tors. theta energy: -48.580
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: 144
Temperature: 1.050000
Total energy: -544.821167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.821167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.821167 (E_RNA)
where:
Base-Base interactions energy: -370.938
where: short stacking energy: -162.632
Base-Backbone interact. energy: 1.155
local terms energy: -175.037341
where:
bonds (distance) C4'-P energy: -30.799
bonds (distance) P-C4' energy: -37.316
flat angles C4'-P-C4' energy: -39.673
flat angles P-C4'-P energy: -23.329
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: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -555.362446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.362446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.362446 (E_RNA)
where:
Base-Base interactions energy: -374.190
where: short stacking energy: -168.804
Base-Backbone interact. energy: 0.544
local terms energy: -181.716377
where:
bonds (distance) C4'-P energy: -36.986
bonds (distance) P-C4' energy: -30.542
flat angles C4'-P-C4' energy: -42.486
flat angles P-C4'-P energy: -26.542
tors. eta vs tors. theta energy: -45.160
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: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -473.217387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.217387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.217387 (E_RNA)
where:
Base-Base interactions energy: -303.880
where: short stacking energy: -135.074
Base-Backbone interact. energy: -1.279
local terms energy: -168.058461
where:
bonds (distance) C4'-P energy: -34.245
bonds (distance) P-C4' energy: -32.733
flat angles C4'-P-C4' energy: -42.964
flat angles P-C4'-P energy: -23.745
tors. eta vs tors. theta energy: -34.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -393.481651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.481651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.481651 (E_RNA)
where:
Base-Base interactions energy: -235.725
where: short stacking energy: -102.594
Base-Backbone interact. energy: -1.417
local terms energy: -156.338898
where:
bonds (distance) C4'-P energy: -39.709
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -31.888
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -335.271967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.271967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.271967 (E_RNA)
where:
Base-Base interactions energy: -188.606
where: short stacking energy: -98.499
Base-Backbone interact. energy: -1.273
local terms energy: -145.392973
where:
bonds (distance) C4'-P energy: -33.363
bonds (distance) P-C4' energy: -34.236
flat angles C4'-P-C4' energy: -37.235
flat angles P-C4'-P energy: -23.518
tors. eta vs tors. theta energy: -17.042
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: 144
Temperature: 1.300000
Total energy: -270.277330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.277330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.277330 (E_RNA)
where:
Base-Base interactions energy: -132.082
where: short stacking energy: -72.113
Base-Backbone interact. energy: -0.449
local terms energy: -137.745682
where:
bonds (distance) C4'-P energy: -28.336
bonds (distance) P-C4' energy: -38.740
flat angles C4'-P-C4' energy: -38.231
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -193.413428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.413428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.413428 (E_RNA)
where:
Base-Base interactions energy: -83.012
where: short stacking energy: -43.635
Base-Backbone interact. energy: -0.960
local terms energy: -109.440516
where:
bonds (distance) C4'-P energy: -32.564
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -29.298
flat angles P-C4'-P energy: -20.636
tors. eta vs tors. theta energy: 6.159
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: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -641.937866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.937866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.937866 (E_RNA)
where:
Base-Base interactions energy: -442.781
where: short stacking energy: -178.705
Base-Backbone interact. energy: -2.169
local terms energy: -196.987917
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -41.869
flat angles C4'-P-C4' energy: -41.024
flat angles P-C4'-P energy: -28.984
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: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -600.404554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.404554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.404554 (E_RNA)
where:
Base-Base interactions energy: -402.645
where: short stacking energy: -177.362
Base-Backbone interact. energy: -1.356
local terms energy: -196.402997
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -41.221
flat angles C4'-P-C4' energy: -46.517
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -49.305
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: 145
Temperature: 1.000000
Total energy: -586.555309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.555309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.555309 (E_RNA)
where:
Base-Base interactions energy: -386.487
where: short stacking energy: -173.275
Base-Backbone interact. energy: -1.370
local terms energy: -198.698047
where:
bonds (distance) C4'-P energy: -39.071
bonds (distance) P-C4' energy: -37.486
flat angles C4'-P-C4' energy: -45.487
flat angles P-C4'-P energy: -27.913
tors. eta vs tors. theta energy: -48.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -594.951329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.951329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.951329 (E_RNA)
where:
Base-Base interactions energy: -402.710
where: short stacking energy: -178.524
Base-Backbone interact. energy: -0.142
local terms energy: -192.099100
where:
bonds (distance) C4'-P energy: -40.889
bonds (distance) P-C4' energy: -40.677
flat angles C4'-P-C4' energy: -39.692
flat angles P-C4'-P energy: -18.949
tors. eta vs tors. theta energy: -51.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -521.609765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.609765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.609765 (E_RNA)
where:
Base-Base interactions energy: -350.898
where: short stacking energy: -147.346
Base-Backbone interact. energy: -1.159
local terms energy: -169.552777
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -35.497
flat angles C4'-P-C4' energy: -34.809
flat angles P-C4'-P energy: -26.320
tors. eta vs tors. theta energy: -38.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -473.367113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.367113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.367113 (E_RNA)
where:
Base-Base interactions energy: -322.109
where: short stacking energy: -147.654
Base-Backbone interact. energy: -0.325
local terms energy: -150.933346
where:
bonds (distance) C4'-P energy: -36.325
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -19.892
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: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -387.407346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.407346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.407346 (E_RNA)
where:
Base-Base interactions energy: -225.402
where: short stacking energy: -102.327
Base-Backbone interact. energy: -0.512
local terms energy: -161.493638
where:
bonds (distance) C4'-P energy: -36.885
bonds (distance) P-C4' energy: -40.977
flat angles C4'-P-C4' energy: -37.488
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -24.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -260.433823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.433823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.433823 (E_RNA)
where:
Base-Base interactions energy: -136.139
where: short stacking energy: -83.993
Base-Backbone interact. energy: 0.280
local terms energy: -124.574533
where:
bonds (distance) C4'-P energy: -38.069
bonds (distance) P-C4' energy: -37.980
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -258.080109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.080109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.080109 (E_RNA)
where:
Base-Base interactions energy: -131.765
where: short stacking energy: -73.884
Base-Backbone interact. energy: -0.613
local terms energy: -125.702477
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -38.477
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -166.719069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.719069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.719069 (E_RNA)
where:
Base-Base interactions energy: -47.082
where: short stacking energy: -36.186
Base-Backbone interact. energy: 0.219
local terms energy: -119.855998
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -44.488
flat angles C4'-P-C4' energy: -25.456
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: 4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -644.968974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.968974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.968974 (E_RNA)
where:
Base-Base interactions energy: -433.854
where: short stacking energy: -182.296
Base-Backbone interact. energy: -1.736
local terms energy: -209.378566
where:
bonds (distance) C4'-P energy: -34.425
bonds (distance) P-C4' energy: -42.736
flat angles C4'-P-C4' energy: -38.565
flat angles P-C4'-P energy: -35.655
tors. eta vs tors. theta energy: -57.997
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: 146
Temperature: 0.950000
Total energy: -611.687204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.687204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.687204 (E_RNA)
where:
Base-Base interactions energy: -414.620
where: short stacking energy: -182.078
Base-Backbone interact. energy: -1.033
local terms energy: -196.033805
where:
bonds (distance) C4'-P energy: -32.065
bonds (distance) P-C4' energy: -36.654
flat angles C4'-P-C4' energy: -47.701
flat angles P-C4'-P energy: -26.243
tors. eta vs tors. theta energy: -53.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -606.240728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.240728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.240728 (E_RNA)
where:
Base-Base interactions energy: -400.674
where: short stacking energy: -175.300
Base-Backbone interact. energy: -0.100
local terms energy: -205.467040
where:
bonds (distance) C4'-P energy: -40.201
bonds (distance) P-C4' energy: -34.430
flat angles C4'-P-C4' energy: -46.976
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -56.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -542.704453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.704453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.704453 (E_RNA)
where:
Base-Base interactions energy: -361.562
where: short stacking energy: -151.674
Base-Backbone interact. energy: 1.844
local terms energy: -182.986232
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -42.398
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -25.555
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: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -541.257809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.257809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.257809 (E_RNA)
where:
Base-Base interactions energy: -371.693
where: short stacking energy: -147.640
Base-Backbone interact. energy: -1.061
local terms energy: -168.503942
where:
bonds (distance) C4'-P energy: -35.923
bonds (distance) P-C4' energy: -37.968
flat angles C4'-P-C4' energy: -38.055
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -30.100
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: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -473.606834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.606834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.606834 (E_RNA)
where:
Base-Base interactions energy: -311.435
where: short stacking energy: -136.957
Base-Backbone interact. energy: -1.130
local terms energy: -161.041841
where:
bonds (distance) C4'-P energy: -34.885
bonds (distance) P-C4' energy: -37.367
flat angles C4'-P-C4' energy: -37.225
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -35.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -349.779634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.779634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.779634 (E_RNA)
where:
Base-Base interactions energy: -195.329
where: short stacking energy: -101.841
Base-Backbone interact. energy: -0.080
local terms energy: -154.370699
where:
bonds (distance) C4'-P energy: -32.780
bonds (distance) P-C4' energy: -37.312
flat angles C4'-P-C4' energy: -40.231
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -19.121
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: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -275.907856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.907856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.907856 (E_RNA)
where:
Base-Base interactions energy: -146.313
where: short stacking energy: -81.334
Base-Backbone interact. energy: 1.589
local terms energy: -131.183840
where:
bonds (distance) C4'-P energy: -32.630
bonds (distance) P-C4' energy: -39.438
flat angles C4'-P-C4' energy: -28.477
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -8.645
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: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -256.053217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.053217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.053217 (E_RNA)
where:
Base-Base interactions energy: -142.164
where: short stacking energy: -76.517
Base-Backbone interact. energy: -0.231
local terms energy: -113.658567
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -33.376
flat angles C4'-P-C4' energy: -30.773
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -194.898085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.898085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.898085 (E_RNA)
where:
Base-Base interactions energy: -76.239
where: short stacking energy: -52.737
Base-Backbone interact. energy: -0.474
local terms energy: -118.184820
where:
bonds (distance) C4'-P energy: -30.265
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -35.199
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: 2.119
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: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -632.092778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.092778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.092778 (E_RNA)
where:
Base-Base interactions energy: -445.414
where: short stacking energy: -182.187
Base-Backbone interact. energy: -0.138
local terms energy: -186.541476
where:
bonds (distance) C4'-P energy: -37.249
bonds (distance) P-C4' energy: -39.960
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -27.709
tors. eta vs tors. theta energy: -51.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -607.509172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.509172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.509172 (E_RNA)
where:
Base-Base interactions energy: -402.138
where: short stacking energy: -169.163
Base-Backbone interact. energy: -1.198
local terms energy: -204.172511
where:
bonds (distance) C4'-P energy: -34.460
bonds (distance) P-C4' energy: -42.724
flat angles C4'-P-C4' energy: -40.390
flat angles P-C4'-P energy: -29.630
tors. eta vs tors. theta energy: -56.968
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: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -587.515185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.515185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.515185 (E_RNA)
where:
Base-Base interactions energy: -394.952
where: short stacking energy: -168.221
Base-Backbone interact. energy: -0.253
local terms energy: -192.309943
where:
bonds (distance) C4'-P energy: -33.462
bonds (distance) P-C4' energy: -35.671
flat angles C4'-P-C4' energy: -43.081
flat angles P-C4'-P energy: -27.976
tors. eta vs tors. theta energy: -52.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -548.165199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.165199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.165199 (E_RNA)
where:
Base-Base interactions energy: -373.068
where: short stacking energy: -159.423
Base-Backbone interact. energy: -1.072
local terms energy: -174.025009
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -44.632
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -27.030
tors. eta vs tors. theta energy: -43.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -538.721750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.721750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.721750 (E_RNA)
where:
Base-Base interactions energy: -363.579
where: short stacking energy: -156.990
Base-Backbone interact. energy: -0.679
local terms energy: -174.463686
where:
bonds (distance) C4'-P energy: -39.286
bonds (distance) P-C4' energy: -36.342
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -24.756
tors. eta vs tors. theta energy: -46.712
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: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -498.146001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.146001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.146001 (E_RNA)
where:
Base-Base interactions energy: -313.284
where: short stacking energy: -156.071
Base-Backbone interact. energy: 1.242
local terms energy: -186.104788
where:
bonds (distance) C4'-P energy: -37.980
bonds (distance) P-C4' energy: -39.017
flat angles C4'-P-C4' energy: -39.495
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -44.151
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: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -357.783765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.783765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.783765 (E_RNA)
where:
Base-Base interactions energy: -215.158
where: short stacking energy: -97.126
Base-Backbone interact. energy: -1.722
local terms energy: -140.904328
where:
bonds (distance) C4'-P energy: -25.718
bonds (distance) P-C4' energy: -36.101
flat angles C4'-P-C4' energy: -31.436
flat angles P-C4'-P energy: -27.030
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -294.071102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.071102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.071102 (E_RNA)
where:
Base-Base interactions energy: -159.919
where: short stacking energy: -97.073
Base-Backbone interact. energy: -0.107
local terms energy: -134.045004
where:
bonds (distance) C4'-P energy: -30.358
bonds (distance) P-C4' energy: -38.747
flat angles C4'-P-C4' energy: -36.838
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -260.917337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.917337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.917337 (E_RNA)
where:
Base-Base interactions energy: -141.462
where: short stacking energy: -76.760
Base-Backbone interact. energy: -0.418
local terms energy: -119.037408
where:
bonds (distance) C4'-P energy: -37.255
bonds (distance) P-C4' energy: -31.850
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -4.020
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: 147
Temperature: 1.350000
Total energy: -174.708149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.708149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.708149 (E_RNA)
where:
Base-Base interactions energy: -65.326
where: short stacking energy: -62.656
Base-Backbone interact. energy: -0.026
local terms energy: -109.356104
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -41.991
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: 6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -632.885222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.885222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.885222 (E_RNA)
where:
Base-Base interactions energy: -432.081
where: short stacking energy: -192.423
Base-Backbone interact. energy: -1.102
local terms energy: -199.702259
where:
bonds (distance) C4'-P energy: -33.634
bonds (distance) P-C4' energy: -37.449
flat angles C4'-P-C4' energy: -44.897
flat angles P-C4'-P energy: -27.211
tors. eta vs tors. theta energy: -56.511
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: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -635.263256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.263256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.263256 (E_RNA)
where:
Base-Base interactions energy: -429.239
where: short stacking energy: -186.352
Base-Backbone interact. energy: -2.231
local terms energy: -203.792657
where:
bonds (distance) C4'-P energy: -37.301
bonds (distance) P-C4' energy: -38.410
flat angles C4'-P-C4' energy: -38.974
flat angles P-C4'-P energy: -33.812
tors. eta vs tors. theta energy: -55.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -585.855023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.855023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.855023 (E_RNA)
where:
Base-Base interactions energy: -389.447
where: short stacking energy: -183.102
Base-Backbone interact. energy: -0.501
local terms energy: -195.906654
where:
bonds (distance) C4'-P energy: -41.280
bonds (distance) P-C4' energy: -35.958
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -31.754
tors. eta vs tors. theta energy: -47.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -590.640406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.640406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.640406 (E_RNA)
where:
Base-Base interactions energy: -406.933
where: short stacking energy: -170.755
Base-Backbone interact. energy: -1.000
local terms energy: -182.707205
where:
bonds (distance) C4'-P energy: -35.620
bonds (distance) P-C4' energy: -35.120
flat angles C4'-P-C4' energy: -34.928
flat angles P-C4'-P energy: -31.003
tors. eta vs tors. theta energy: -46.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -530.468548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.468548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.468548 (E_RNA)
where:
Base-Base interactions energy: -358.117
where: short stacking energy: -153.071
Base-Backbone interact. energy: 0.086
local terms energy: -172.437815
where:
bonds (distance) C4'-P energy: -37.883
bonds (distance) P-C4' energy: -34.271
flat angles C4'-P-C4' energy: -34.689
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -44.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -474.172480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.172480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.172480 (E_RNA)
where:
Base-Base interactions energy: -304.643
where: short stacking energy: -128.650
Base-Backbone interact. energy: -0.448
local terms energy: -169.081066
where:
bonds (distance) C4'-P energy: -31.342
bonds (distance) P-C4' energy: -34.418
flat angles C4'-P-C4' energy: -33.268
flat angles P-C4'-P energy: -27.497
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: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -289.234593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.234593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.234593 (E_RNA)
where:
Base-Base interactions energy: -159.052
where: short stacking energy: -83.030
Base-Backbone interact. energy: 3.163
local terms energy: -133.345774
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -35.880
flat angles C4'-P-C4' energy: -32.829
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -362.881557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.881557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.881557 (E_RNA)
where:
Base-Base interactions energy: -217.062
where: short stacking energy: -95.478
Base-Backbone interact. energy: -0.724
local terms energy: -145.096021
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -34.817
flat angles C4'-P-C4' energy: -35.795
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -260.715469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.715469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.715469 (E_RNA)
where:
Base-Base interactions energy: -150.336
where: short stacking energy: -92.269
Base-Backbone interact. energy: 6.029
local terms energy: -116.407956
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -38.508
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -9.142
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: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -178.875554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.875554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.875554 (E_RNA)
where:
Base-Base interactions energy: -71.101
where: short stacking energy: -38.887
Base-Backbone interact. energy: -1.334
local terms energy: -106.440206
where:
bonds (distance) C4'-P energy: -36.227
bonds (distance) P-C4' energy: -28.997
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -0.653
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: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -615.050025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.050025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.050025 (E_RNA)
where:
Base-Base interactions energy: -421.803
where: short stacking energy: -199.586
Base-Backbone interact. energy: 1.703
local terms energy: -194.949797
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -37.570
flat angles C4'-P-C4' energy: -47.124
flat angles P-C4'-P energy: -25.166
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: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -634.936558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.936558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.936558 (E_RNA)
where:
Base-Base interactions energy: -443.292
where: short stacking energy: -195.622
Base-Backbone interact. energy: -0.250
local terms energy: -191.394690
where:
bonds (distance) C4'-P energy: -35.134
bonds (distance) P-C4' energy: -41.418
flat angles C4'-P-C4' energy: -37.976
flat angles P-C4'-P energy: -25.976
tors. eta vs tors. theta energy: -50.890
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: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -593.104338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.104338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.104338 (E_RNA)
where:
Base-Base interactions energy: -387.943
where: short stacking energy: -185.892
Base-Backbone interact. energy: -0.616
local terms energy: -204.545228
where:
bonds (distance) C4'-P energy: -33.183
bonds (distance) P-C4' energy: -43.643
flat angles C4'-P-C4' energy: -45.809
flat angles P-C4'-P energy: -27.267
tors. eta vs tors. theta energy: -54.643
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: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -563.022949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.022949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.022949 (E_RNA)
where:
Base-Base interactions energy: -383.057
where: short stacking energy: -157.574
Base-Backbone interact. energy: -1.311
local terms energy: -178.655082
where:
bonds (distance) C4'-P energy: -39.916
bonds (distance) P-C4' energy: -41.544
flat angles C4'-P-C4' energy: -39.919
flat angles P-C4'-P energy: -21.532
tors. eta vs tors. theta energy: -35.745
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: 149
Temperature: 1.100000
Total energy: -530.043381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.043381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.043381 (E_RNA)
where:
Base-Base interactions energy: -352.274
where: short stacking energy: -152.986
Base-Backbone interact. energy: 0.602
local terms energy: -178.370785
where:
bonds (distance) C4'-P energy: -27.026
bonds (distance) P-C4' energy: -38.680
flat angles C4'-P-C4' energy: -41.967
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -44.882
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: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -472.648616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.648616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.648616 (E_RNA)
where:
Base-Base interactions energy: -303.230
where: short stacking energy: -133.991
Base-Backbone interact. energy: -0.427
local terms energy: -168.991516
where:
bonds (distance) C4'-P energy: -35.952
bonds (distance) P-C4' energy: -30.012
flat angles C4'-P-C4' energy: -36.444
flat angles P-C4'-P energy: -25.859
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: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -283.995252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.995252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.995252 (E_RNA)
where:
Base-Base interactions energy: -139.231
where: short stacking energy: -82.495
Base-Backbone interact. energy: -0.431
local terms energy: -144.333908
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -45.034
flat angles C4'-P-C4' energy: -36.055
flat angles P-C4'-P energy: -24.625
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -351.864451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.864451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.864451 (E_RNA)
where:
Base-Base interactions energy: -205.831
where: short stacking energy: -90.144
Base-Backbone interact. energy: -0.230
local terms energy: -145.803628
where:
bonds (distance) C4'-P energy: -33.163
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -39.524
flat angles P-C4'-P energy: -29.056
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -266.926054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.926054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.926054 (E_RNA)
where:
Base-Base interactions energy: -128.776
where: short stacking energy: -74.489
Base-Backbone interact. energy: -1.369
local terms energy: -136.781253
where:
bonds (distance) C4'-P energy: -31.046
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -23.362
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -187.981937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.981937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.981937 (E_RNA)
where:
Base-Base interactions energy: -66.299
where: short stacking energy: -59.653
Base-Backbone interact. energy: -0.380
local terms energy: -121.302018
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -36.737
flat angles C4'-P-C4' energy: -27.751
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -8.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -617.698648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.698648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.698648 (E_RNA)
where:
Base-Base interactions energy: -402.174
where: short stacking energy: -187.481
Base-Backbone interact. energy: -1.890
local terms energy: -213.635189
where:
bonds (distance) C4'-P energy: -32.809
bonds (distance) P-C4' energy: -41.956
flat angles C4'-P-C4' energy: -47.003
flat angles P-C4'-P energy: -33.014
tors. eta vs tors. theta energy: -58.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -630.930074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.930074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.930074 (E_RNA)
where:
Base-Base interactions energy: -442.491
where: short stacking energy: -179.468
Base-Backbone interact. energy: -1.613
local terms energy: -186.825982
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -35.498
flat angles C4'-P-C4' energy: -41.776
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: -50.145
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: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -577.264670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.264670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.264670 (E_RNA)
where:
Base-Base interactions energy: -382.209
where: short stacking energy: -178.533
Base-Backbone interact. energy: 0.397
local terms energy: -195.452546
where:
bonds (distance) C4'-P energy: -35.338
bonds (distance) P-C4' energy: -38.025
flat angles C4'-P-C4' energy: -45.843
flat angles P-C4'-P energy: -26.184
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: 4, replica: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -585.414380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.414380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.414380 (E_RNA)
where:
Base-Base interactions energy: -403.186
where: short stacking energy: -161.849
Base-Backbone interact. energy: -0.388
local terms energy: -181.840543
where:
bonds (distance) C4'-P energy: -36.258
bonds (distance) P-C4' energy: -34.764
flat angles C4'-P-C4' energy: -37.654
flat angles P-C4'-P energy: -27.176
tors. eta vs tors. theta energy: -45.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -529.856750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.856750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.856750 (E_RNA)
where:
Base-Base interactions energy: -355.501
where: short stacking energy: -156.034
Base-Backbone interact. energy: -0.866
local terms energy: -173.489542
where:
bonds (distance) C4'-P energy: -39.089
bonds (distance) P-C4' energy: -33.132
flat angles C4'-P-C4' energy: -35.600
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: -39.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -491.539285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.539285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.539285 (E_RNA)
where:
Base-Base interactions energy: -323.470
where: short stacking energy: -149.576
Base-Backbone interact. energy: 0.288
local terms energy: -168.357475
where:
bonds (distance) C4'-P energy: -38.723
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -47.765
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: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -349.865029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.865029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.865029 (E_RNA)
where:
Base-Base interactions energy: -205.565
where: short stacking energy: -94.867
Base-Backbone interact. energy: -0.493
local terms energy: -143.806890
where:
bonds (distance) C4'-P energy: -40.024
bonds (distance) P-C4' energy: -34.148
flat angles C4'-P-C4' energy: -27.725
flat angles P-C4'-P energy: -23.366
tors. eta vs tors. theta energy: -18.543
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: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -276.183902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.183902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.183902 (E_RNA)
where:
Base-Base interactions energy: -145.198
where: short stacking energy: -80.949
Base-Backbone interact. energy: -0.306
local terms energy: -130.679839
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -33.602
flat angles C4'-P-C4' energy: -37.551
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -200.513836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.513836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.513836 (E_RNA)
where:
Base-Base interactions energy: -81.524
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.338
local terms energy: -118.650911
where:
bonds (distance) C4'-P energy: -41.382
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -1.040
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: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -241.936143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.936143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.936143 (E_RNA)
where:
Base-Base interactions energy: -140.148
where: short stacking energy: -68.152
Base-Backbone interact. energy: -0.457
local terms energy: -101.331179
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -35.152
flat angles C4'-P-C4' energy: -36.174
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: 4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -626.484368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.484368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.484368 (E_RNA)
where:
Base-Base interactions energy: -427.589
where: short stacking energy: -186.748
Base-Backbone interact. energy: -0.385
local terms energy: -198.510673
where:
bonds (distance) C4'-P energy: -39.826
bonds (distance) P-C4' energy: -39.540
flat angles C4'-P-C4' energy: -39.462
flat angles P-C4'-P energy: -27.083
tors. eta vs tors. theta energy: -52.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -631.033930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.033930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.033930 (E_RNA)
where:
Base-Base interactions energy: -434.378
where: short stacking energy: -170.613
Base-Backbone interact. energy: -2.234
local terms energy: -194.421258
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -41.099
flat angles C4'-P-C4' energy: -38.536
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -50.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -572.607009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.607009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.607009 (E_RNA)
where:
Base-Base interactions energy: -374.444
where: short stacking energy: -181.346
Base-Backbone interact. energy: -0.169
local terms energy: -197.993924
where:
bonds (distance) C4'-P energy: -37.084
bonds (distance) P-C4' energy: -39.301
flat angles C4'-P-C4' energy: -39.686
flat angles P-C4'-P energy: -25.417
tors. eta vs tors. theta energy: -56.507
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: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -603.003075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.003075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.003075 (E_RNA)
where:
Base-Base interactions energy: -412.929
where: short stacking energy: -172.799
Base-Backbone interact. energy: -1.949
local terms energy: -188.124588
where:
bonds (distance) C4'-P energy: -35.842
bonds (distance) P-C4' energy: -41.701
flat angles C4'-P-C4' energy: -40.187
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -52.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -538.757099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.757099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.757099 (E_RNA)
where:
Base-Base interactions energy: -351.066
where: short stacking energy: -162.987
Base-Backbone interact. energy: 0.499
local terms energy: -188.189777
where:
bonds (distance) C4'-P energy: -35.367
bonds (distance) P-C4' energy: -32.084
flat angles C4'-P-C4' energy: -41.155
flat angles P-C4'-P energy: -31.280
tors. eta vs tors. theta energy: -48.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -462.250437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.250437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.250437 (E_RNA)
where:
Base-Base interactions energy: -303.358
where: short stacking energy: -133.369
Base-Backbone interact. energy: 0.763
local terms energy: -159.655511
where:
bonds (distance) C4'-P energy: -34.782
bonds (distance) P-C4' energy: -36.862
flat angles C4'-P-C4' energy: -35.480
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: -35.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -352.808766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.808766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.808766 (E_RNA)
where:
Base-Base interactions energy: -203.987
where: short stacking energy: -98.342
Base-Backbone interact. energy: -1.117
local terms energy: -147.704949
where:
bonds (distance) C4'-P energy: -40.132
bonds (distance) P-C4' energy: -38.606
flat angles C4'-P-C4' energy: -34.390
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -303.763172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.763172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.763172 (E_RNA)
where:
Base-Base interactions energy: -189.940
where: short stacking energy: -81.933
Base-Backbone interact. energy: 8.104
local terms energy: -121.927937
where:
bonds (distance) C4'-P energy: -29.724
bonds (distance) P-C4' energy: -38.576
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -24.061
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: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -174.457477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.457477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.457477 (E_RNA)
where:
Base-Base interactions energy: -62.316
where: short stacking energy: -44.075
Base-Backbone interact. energy: -0.617
local terms energy: -111.524189
where:
bonds (distance) C4'-P energy: -30.469
bonds (distance) P-C4' energy: -34.055
flat angles C4'-P-C4' energy: -26.013
flat angles P-C4'-P energy: -26.690
tors. eta vs tors. theta energy: 5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -265.696084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.696084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.696084 (E_RNA)
where:
Base-Base interactions energy: -146.918
where: short stacking energy: -91.974
Base-Backbone interact. energy: -0.984
local terms energy: -117.794183
where:
bonds (distance) C4'-P energy: -29.580
bonds (distance) P-C4' energy: -33.028
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -9.579
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: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -635.288609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.288609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.288609 (E_RNA)
where:
Base-Base interactions energy: -438.643
where: short stacking energy: -173.560
Base-Backbone interact. energy: -1.193
local terms energy: -195.452766
where:
bonds (distance) C4'-P energy: -35.387
bonds (distance) P-C4' energy: -36.174
flat angles C4'-P-C4' energy: -42.722
flat angles P-C4'-P energy: -31.323
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: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -597.279255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.279255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.279255 (E_RNA)
where:
Base-Base interactions energy: -397.583
where: short stacking energy: -166.171
Base-Backbone interact. energy: -0.193
local terms energy: -199.502653
where:
bonds (distance) C4'-P energy: -41.391
bonds (distance) P-C4' energy: -34.909
flat angles C4'-P-C4' energy: -46.935
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -52.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -546.399155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.399155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.399155 (E_RNA)
where:
Base-Base interactions energy: -355.299
where: short stacking energy: -155.283
Base-Backbone interact. energy: -0.352
local terms energy: -190.748514
where:
bonds (distance) C4'-P energy: -40.410
bonds (distance) P-C4' energy: -37.230
flat angles C4'-P-C4' energy: -41.907
flat angles P-C4'-P energy: -23.742
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: 4, replica: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -552.452028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.452028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.452028 (E_RNA)
where:
Base-Base interactions energy: -381.721
where: short stacking energy: -161.812
Base-Backbone interact. energy: 0.173
local terms energy: -170.903966
where:
bonds (distance) C4'-P energy: -39.632
bonds (distance) P-C4' energy: -38.353
flat angles C4'-P-C4' energy: -41.329
flat angles P-C4'-P energy: -21.852
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: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -533.883662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.883662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.883662 (E_RNA)
where:
Base-Base interactions energy: -352.313
where: short stacking energy: -165.533
Base-Backbone interact. energy: -0.413
local terms energy: -181.156710
where:
bonds (distance) C4'-P energy: -26.924
bonds (distance) P-C4' energy: -37.794
flat angles C4'-P-C4' energy: -39.796
flat angles P-C4'-P energy: -26.408
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: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -495.647329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.647329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.647329 (E_RNA)
where:
Base-Base interactions energy: -327.624
where: short stacking energy: -153.913
Base-Backbone interact. energy: -0.645
local terms energy: -167.378595
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -37.135
flat angles C4'-P-C4' energy: -34.876
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -40.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -338.024125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.024125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.024125 (E_RNA)
where:
Base-Base interactions energy: -184.998
where: short stacking energy: -91.226
Base-Backbone interact. energy: 2.451
local terms energy: -155.477153
where:
bonds (distance) C4'-P energy: -41.404
bonds (distance) P-C4' energy: -37.500
flat angles C4'-P-C4' energy: -39.595
flat angles P-C4'-P energy: -14.163
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: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -327.263594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.263594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.263594 (E_RNA)
where:
Base-Base interactions energy: -206.180
where: short stacking energy: -111.609
Base-Backbone interact. energy: -0.737
local terms energy: -120.346937
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -36.482
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -273.545967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.545967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.545967 (E_RNA)
where:
Base-Base interactions energy: -144.868
where: short stacking energy: -84.383
Base-Backbone interact. energy: -0.556
local terms energy: -128.121965
where:
bonds (distance) C4'-P energy: -34.468
bonds (distance) P-C4' energy: -39.397
flat angles C4'-P-C4' energy: -33.196
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -172.920866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.920866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.920866 (E_RNA)
where:
Base-Base interactions energy: -76.051
where: short stacking energy: -58.701
Base-Backbone interact. energy: -1.120
local terms energy: -95.749322
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -18.288
tors. eta vs tors. theta energy: 5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -637.211542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.211542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.211542 (E_RNA)
where:
Base-Base interactions energy: -420.055
where: short stacking energy: -176.354
Base-Backbone interact. energy: -3.276
local terms energy: -213.880737
where:
bonds (distance) C4'-P energy: -44.201
bonds (distance) P-C4' energy: -37.244
flat angles C4'-P-C4' energy: -42.818
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -57.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -619.101888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.101888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.101888 (E_RNA)
where:
Base-Base interactions energy: -423.226
where: short stacking energy: -182.470
Base-Backbone interact. energy: -0.956
local terms energy: -194.920495
where:
bonds (distance) C4'-P energy: -29.839
bonds (distance) P-C4' energy: -42.838
flat angles C4'-P-C4' energy: -45.303
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -50.784
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: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -604.832247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.832247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.832247 (E_RNA)
where:
Base-Base interactions energy: -402.970
where: short stacking energy: -173.596
Base-Backbone interact. energy: -0.095
local terms energy: -201.766767
where:
bonds (distance) C4'-P energy: -39.968
bonds (distance) P-C4' energy: -44.268
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -30.231
tors. eta vs tors. theta energy: -50.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -563.271256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.271256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.271256 (E_RNA)
where:
Base-Base interactions energy: -381.728
where: short stacking energy: -153.448
Base-Backbone interact. energy: -1.200
local terms energy: -180.343788
where:
bonds (distance) C4'-P energy: -31.447
bonds (distance) P-C4' energy: -40.115
flat angles C4'-P-C4' energy: -39.509
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -44.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -536.815654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.815654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.815654 (E_RNA)
where:
Base-Base interactions energy: -353.408
where: short stacking energy: -146.911
Base-Backbone interact. energy: -0.133
local terms energy: -183.274423
where:
bonds (distance) C4'-P energy: -39.533
bonds (distance) P-C4' energy: -35.821
flat angles C4'-P-C4' energy: -40.494
flat angles P-C4'-P energy: -23.019
tors. eta vs tors. theta energy: -44.408
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: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -479.518879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.518879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.518879 (E_RNA)
where:
Base-Base interactions energy: -316.854
where: short stacking energy: -136.904
Base-Backbone interact. energy: -0.549
local terms energy: -162.116046
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -41.391
flat angles C4'-P-C4' energy: -42.577
flat angles P-C4'-P energy: -20.209
tors. eta vs tors. theta energy: -32.447
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: 153
Temperature: 1.200000
Total energy: -385.559498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.559498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.559498 (E_RNA)
where:
Base-Base interactions energy: -222.175
where: short stacking energy: -114.850
Base-Backbone interact. energy: -0.336
local terms energy: -163.049134
where:
bonds (distance) C4'-P energy: -37.396
bonds (distance) P-C4' energy: -36.976
flat angles C4'-P-C4' energy: -37.479
flat angles P-C4'-P energy: -20.976
tors. eta vs tors. theta energy: -30.222
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: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -278.318232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.318232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.318232 (E_RNA)
where:
Base-Base interactions energy: -152.643
where: short stacking energy: -66.027
Base-Backbone interact. energy: -1.238
local terms energy: -124.437849
where:
bonds (distance) C4'-P energy: -34.469
bonds (distance) P-C4' energy: -32.899
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -6.040
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: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -347.566820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.566820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.566820 (E_RNA)
where:
Base-Base interactions energy: -209.170
where: short stacking energy: -100.356
Base-Backbone interact. energy: -0.636
local terms energy: -137.760811
where:
bonds (distance) C4'-P energy: -34.481
bonds (distance) P-C4' energy: -38.872
flat angles C4'-P-C4' energy: -31.443
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -169.592257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.592257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.592257 (E_RNA)
where:
Base-Base interactions energy: -66.039
where: short stacking energy: -61.859
Base-Backbone interact. energy: -1.549
local terms energy: -102.004265
where:
bonds (distance) C4'-P energy: -33.332
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -24.050
flat angles P-C4'-P energy: -19.197
tors. eta vs tors. theta energy: 2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -634.015013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.015013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.015013 (E_RNA)
where:
Base-Base interactions energy: -440.617
where: short stacking energy: -174.043
Base-Backbone interact. energy: -2.492
local terms energy: -190.905303
where:
bonds (distance) C4'-P energy: -38.463
bonds (distance) P-C4' energy: -36.484
flat angles C4'-P-C4' energy: -39.576
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -52.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -608.009616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.009616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.009616 (E_RNA)
where:
Base-Base interactions energy: -412.120
where: short stacking energy: -174.294
Base-Backbone interact. energy: -0.888
local terms energy: -195.001032
where:
bonds (distance) C4'-P energy: -42.889
bonds (distance) P-C4' energy: -37.109
flat angles C4'-P-C4' energy: -39.816
flat angles P-C4'-P energy: -23.259
tors. eta vs tors. theta energy: -51.927
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: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -622.930972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.930972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.930972 (E_RNA)
where:
Base-Base interactions energy: -421.705
where: short stacking energy: -184.060
Base-Backbone interact. energy: -0.326
local terms energy: -200.900678
where:
bonds (distance) C4'-P energy: -37.992
bonds (distance) P-C4' energy: -37.260
flat angles C4'-P-C4' energy: -39.174
flat angles P-C4'-P energy: -26.465
tors. eta vs tors. theta energy: -60.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -550.890654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.890654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.890654 (E_RNA)
where:
Base-Base interactions energy: -376.227
where: short stacking energy: -155.122
Base-Backbone interact. energy: -1.109
local terms energy: -173.554686
where:
bonds (distance) C4'-P energy: -37.789
bonds (distance) P-C4' energy: -39.826
flat angles C4'-P-C4' energy: -36.284
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -43.097
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: 1
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -529.480011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.480011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.480011 (E_RNA)
where:
Base-Base interactions energy: -359.596
where: short stacking energy: -151.797
Base-Backbone interact. energy: -0.213
local terms energy: -169.670587
where:
bonds (distance) C4'-P energy: -38.224
bonds (distance) P-C4' energy: -32.672
flat angles C4'-P-C4' energy: -37.762
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -40.927
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: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -511.515623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.515623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.515623 (E_RNA)
where:
Base-Base interactions energy: -342.867
where: short stacking energy: -141.688
Base-Backbone interact. energy: 1.538
local terms energy: -170.185962
where:
bonds (distance) C4'-P energy: -38.182
bonds (distance) P-C4' energy: -33.536
flat angles C4'-P-C4' energy: -37.575
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -44.965
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: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -378.144415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.144415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.144415 (E_RNA)
where:
Base-Base interactions energy: -208.685
where: short stacking energy: -103.880
Base-Backbone interact. energy: -0.067
local terms energy: -169.392287
where:
bonds (distance) C4'-P energy: -27.213
bonds (distance) P-C4' energy: -40.900
flat angles C4'-P-C4' energy: -41.198
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: -29.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -318.270920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.270920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.270920 (E_RNA)
where:
Base-Base interactions energy: -178.061
where: short stacking energy: -104.475
Base-Backbone interact. energy: -0.228
local terms energy: -139.982144
where:
bonds (distance) C4'-P energy: -39.639
bonds (distance) P-C4' energy: -27.046
flat angles C4'-P-C4' energy: -42.735
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -14.107
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: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -343.856876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.856876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.856876 (E_RNA)
where:
Base-Base interactions energy: -209.717
where: short stacking energy: -113.608
Base-Backbone interact. energy: -0.244
local terms energy: -133.896048
where:
bonds (distance) C4'-P energy: -38.639
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -169.860563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.860563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.860563 (E_RNA)
where:
Base-Base interactions energy: -51.913
where: short stacking energy: -49.227
Base-Backbone interact. energy: 0.018
local terms energy: -117.965464
where:
bonds (distance) C4'-P energy: -37.113
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: 1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -641.574514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.574514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.574514 (E_RNA)
where:
Base-Base interactions energy: -437.386
where: short stacking energy: -186.201
Base-Backbone interact. energy: -0.596
local terms energy: -203.592318
where:
bonds (distance) C4'-P energy: -42.282
bonds (distance) P-C4' energy: -38.026
flat angles C4'-P-C4' energy: -40.343
flat angles P-C4'-P energy: -30.570
tors. eta vs tors. theta energy: -52.371
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: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -615.960868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.960868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.960868 (E_RNA)
where:
Base-Base interactions energy: -420.257
where: short stacking energy: -175.288
Base-Backbone interact. energy: -0.804
local terms energy: -194.899708
where:
bonds (distance) C4'-P energy: -35.823
bonds (distance) P-C4' energy: -37.963
flat angles C4'-P-C4' energy: -37.820
flat angles P-C4'-P energy: -30.754
tors. eta vs tors. theta energy: -52.540
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: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -589.988348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.988348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.988348 (E_RNA)
where:
Base-Base interactions energy: -404.752
where: short stacking energy: -180.182
Base-Backbone interact. energy: 2.142
local terms energy: -187.379178
where:
bonds (distance) C4'-P energy: -38.086
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -42.736
flat angles P-C4'-P energy: -24.239
tors. eta vs tors. theta energy: -44.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -569.959476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.959476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.959476 (E_RNA)
where:
Base-Base interactions energy: -378.035
where: short stacking energy: -145.235
Base-Backbone interact. energy: -1.232
local terms energy: -190.691523
where:
bonds (distance) C4'-P energy: -42.235
bonds (distance) P-C4' energy: -40.808
flat angles C4'-P-C4' energy: -41.969
flat angles P-C4'-P energy: -27.402
tors. eta vs tors. theta energy: -38.278
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: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -541.085803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.085803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.085803 (E_RNA)
where:
Base-Base interactions energy: -371.559
where: short stacking energy: -147.665
Base-Backbone interact. energy: 0.410
local terms energy: -169.936936
where:
bonds (distance) C4'-P energy: -31.120
bonds (distance) P-C4' energy: -38.546
flat angles C4'-P-C4' energy: -37.131
flat angles P-C4'-P energy: -23.888
tors. eta vs tors. theta energy: -39.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -524.505080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.505080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.505080 (E_RNA)
where:
Base-Base interactions energy: -343.170
where: short stacking energy: -150.754
Base-Backbone interact. energy: -0.873
local terms energy: -180.461811
where:
bonds (distance) C4'-P energy: -33.967
bonds (distance) P-C4' energy: -35.852
flat angles C4'-P-C4' energy: -44.005
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -45.447
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: 155
Temperature: 1.200000
Total energy: -369.472588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.472588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.472588 (E_RNA)
where:
Base-Base interactions energy: -216.164
where: short stacking energy: -112.150
Base-Backbone interact. energy: -0.631
local terms energy: -152.677357
where:
bonds (distance) C4'-P energy: -34.353
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -29.565
flat angles P-C4'-P energy: -25.655
tors. eta vs tors. theta energy: -31.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -306.154972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.154972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.154972 (E_RNA)
where:
Base-Base interactions energy: -176.653
where: short stacking energy: -85.374
Base-Backbone interact. energy: -0.115
local terms energy: -129.386642
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -34.191
flat angles C4'-P-C4' energy: -33.392
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -296.729853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.729853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.729853 (E_RNA)
where:
Base-Base interactions energy: -170.972
where: short stacking energy: -89.120
Base-Backbone interact. energy: -0.119
local terms energy: -125.638958
where:
bonds (distance) C4'-P energy: -39.125
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -19.054
tors. eta vs tors. theta energy: -9.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -171.194255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.194255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.194255 (E_RNA)
where:
Base-Base interactions energy: -59.512
where: short stacking energy: -50.048
Base-Backbone interact. energy: 0.570
local terms energy: -112.252626
where:
bonds (distance) C4'-P energy: -34.224
bonds (distance) P-C4' energy: -27.288
flat angles C4'-P-C4' energy: -32.857
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: 0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -645.248581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.248581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.248581 (E_RNA)
where:
Base-Base interactions energy: -436.104
where: short stacking energy: -201.404
Base-Backbone interact. energy: -0.195
local terms energy: -208.949274
where:
bonds (distance) C4'-P energy: -36.746
bonds (distance) P-C4' energy: -42.372
flat angles C4'-P-C4' energy: -45.302
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -58.157
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: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -631.364273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.364273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.364273 (E_RNA)
where:
Base-Base interactions energy: -431.006
where: short stacking energy: -178.410
Base-Backbone interact. energy: -1.209
local terms energy: -199.149431
where:
bonds (distance) C4'-P energy: -33.806
bonds (distance) P-C4' energy: -41.001
flat angles C4'-P-C4' energy: -43.626
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -53.108
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: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -588.260566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.260566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.260566 (E_RNA)
where:
Base-Base interactions energy: -396.598
where: short stacking energy: -177.621
Base-Backbone interact. energy: 0.941
local terms energy: -192.603581
where:
bonds (distance) C4'-P energy: -33.971
bonds (distance) P-C4' energy: -38.203
flat angles C4'-P-C4' energy: -41.868
flat angles P-C4'-P energy: -26.948
tors. eta vs tors. theta energy: -51.613
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: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -568.475642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.475642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.475642 (E_RNA)
where:
Base-Base interactions energy: -384.948
where: short stacking energy: -157.707
Base-Backbone interact. energy: -1.130
local terms energy: -182.398019
where:
bonds (distance) C4'-P energy: -39.230
bonds (distance) P-C4' energy: -38.222
flat angles C4'-P-C4' energy: -35.948
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: -44.540
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: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -524.616496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.616496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.616496 (E_RNA)
where:
Base-Base interactions energy: -357.726
where: short stacking energy: -148.194
Base-Backbone interact. energy: 1.182
local terms energy: -168.072497
where:
bonds (distance) C4'-P energy: -36.493
bonds (distance) P-C4' energy: -37.450
flat angles C4'-P-C4' energy: -37.845
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -39.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -510.225197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.225197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.225197 (E_RNA)
where:
Base-Base interactions energy: -344.467
where: short stacking energy: -154.269
Base-Backbone interact. energy: 3.305
local terms energy: -169.063917
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -43.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -361.012575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.012575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.012575 (E_RNA)
where:
Base-Base interactions energy: -213.030
where: short stacking energy: -104.580
Base-Backbone interact. energy: -0.215
local terms energy: -147.767474
where:
bonds (distance) C4'-P energy: -37.228
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -36.968
flat angles P-C4'-P energy: -27.529
tors. eta vs tors. theta energy: -26.711
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: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -291.708585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.708585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.708585 (E_RNA)
where:
Base-Base interactions energy: -161.589
where: short stacking energy: -88.990
Base-Backbone interact. energy: -0.796
local terms energy: -129.323132
where:
bonds (distance) C4'-P energy: -41.443
bonds (distance) P-C4' energy: -27.050
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -273.148319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.148319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.148319 (E_RNA)
where:
Base-Base interactions energy: -147.861
where: short stacking energy: -84.952
Base-Backbone interact. energy: 0.269
local terms energy: -125.556448
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -29.595
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -13.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -159.187216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.187216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.187216 (E_RNA)
where:
Base-Base interactions energy: -50.711
where: short stacking energy: -48.940
Base-Backbone interact. energy: 0.232
local terms energy: -108.707808
where:
bonds (distance) C4'-P energy: -37.653
bonds (distance) P-C4' energy: -30.179
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -18.311
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: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -643.657579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.657579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.657579 (E_RNA)
where:
Base-Base interactions energy: -438.199
where: short stacking energy: -186.637
Base-Backbone interact. energy: -1.410
local terms energy: -204.048444
where:
bonds (distance) C4'-P energy: -42.992
bonds (distance) P-C4' energy: -34.822
flat angles C4'-P-C4' energy: -45.378
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -55.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -624.010881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.010881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.010881 (E_RNA)
where:
Base-Base interactions energy: -429.138
where: short stacking energy: -174.104
Base-Backbone interact. energy: -0.941
local terms energy: -193.932215
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -38.478
flat angles C4'-P-C4' energy: -39.149
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: -50.587
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: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -577.608173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.608173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.608173 (E_RNA)
where:
Base-Base interactions energy: -381.198
where: short stacking energy: -160.765
Base-Backbone interact. energy: -0.127
local terms energy: -196.283336
where:
bonds (distance) C4'-P energy: -41.891
bonds (distance) P-C4' energy: -40.667
flat angles C4'-P-C4' energy: -45.801
flat angles P-C4'-P energy: -23.135
tors. eta vs tors. theta energy: -44.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -565.146948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.146948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.146948 (E_RNA)
where:
Base-Base interactions energy: -383.556
where: short stacking energy: -162.357
Base-Backbone interact. energy: 0.673
local terms energy: -182.263924
where:
bonds (distance) C4'-P energy: -34.840
bonds (distance) P-C4' energy: -36.055
flat angles C4'-P-C4' energy: -38.375
flat angles P-C4'-P energy: -27.294
tors. eta vs tors. theta energy: -45.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -527.455563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.455563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.455563 (E_RNA)
where:
Base-Base interactions energy: -354.546
where: short stacking energy: -160.127
Base-Backbone interact. energy: -1.901
local terms energy: -171.008534
where:
bonds (distance) C4'-P energy: -34.346
bonds (distance) P-C4' energy: -35.071
flat angles C4'-P-C4' energy: -40.718
flat angles P-C4'-P energy: -23.292
tors. eta vs tors. theta energy: -37.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -530.975537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.975537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.975537 (E_RNA)
where:
Base-Base interactions energy: -354.103
where: short stacking energy: -140.312
Base-Backbone interact. energy: -0.552
local terms energy: -176.320490
where:
bonds (distance) C4'-P energy: -39.866
bonds (distance) P-C4' energy: -30.770
flat angles C4'-P-C4' energy: -38.613
flat angles P-C4'-P energy: -26.751
tors. eta vs tors. theta energy: -40.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -338.861317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.861317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.861317 (E_RNA)
where:
Base-Base interactions energy: -205.775
where: short stacking energy: -100.960
Base-Backbone interact. energy: -0.408
local terms energy: -132.677773
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -37.276
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -14.363
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: 157
Temperature: 1.250000
Total energy: -277.628964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.628964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.628964 (E_RNA)
where:
Base-Base interactions energy: -154.950
where: short stacking energy: -79.055
Base-Backbone interact. energy: -0.537
local terms energy: -122.141843
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -38.186
flat angles C4'-P-C4' energy: -33.753
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -13.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -296.205346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.205346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.205346 (E_RNA)
where:
Base-Base interactions energy: -179.476
where: short stacking energy: -78.110
Base-Backbone interact. energy: -2.016
local terms energy: -114.712811
where:
bonds (distance) C4'-P energy: -36.356
bonds (distance) P-C4' energy: -27.989
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -174.641135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.641135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.641135 (E_RNA)
where:
Base-Base interactions energy: -70.301
where: short stacking energy: -45.981
Base-Backbone interact. energy: 4.500
local terms energy: -108.839441
where:
bonds (distance) C4'-P energy: -36.482
bonds (distance) P-C4' energy: -30.825
flat angles C4'-P-C4' energy: -34.339
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: 10.338
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: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -651.687987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.687987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.687987 (E_RNA)
where:
Base-Base interactions energy: -450.950
where: short stacking energy: -192.857
Base-Backbone interact. energy: -0.848
local terms energy: -199.890399
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -40.921
flat angles C4'-P-C4' energy: -38.822
flat angles P-C4'-P energy: -24.827
tors. eta vs tors. theta energy: -58.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -633.327288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.327288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.327288 (E_RNA)
where:
Base-Base interactions energy: -440.557
where: short stacking energy: -181.968
Base-Backbone interact. energy: -2.132
local terms energy: -190.637829
where:
bonds (distance) C4'-P energy: -36.493
bonds (distance) P-C4' energy: -37.100
flat angles C4'-P-C4' energy: -38.955
flat angles P-C4'-P energy: -31.162
tors. eta vs tors. theta energy: -46.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -600.727857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.727857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.727857 (E_RNA)
where:
Base-Base interactions energy: -393.124
where: short stacking energy: -164.227
Base-Backbone interact. energy: -0.280
local terms energy: -207.323209
where:
bonds (distance) C4'-P energy: -43.320
bonds (distance) P-C4' energy: -34.693
flat angles C4'-P-C4' energy: -46.121
flat angles P-C4'-P energy: -32.381
tors. eta vs tors. theta energy: -50.808
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: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -560.167048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.167048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.167048 (E_RNA)
where:
Base-Base interactions energy: -370.764
where: short stacking energy: -155.904
Base-Backbone interact. energy: -0.397
local terms energy: -189.006833
where:
bonds (distance) C4'-P energy: -36.856
bonds (distance) P-C4' energy: -40.920
flat angles C4'-P-C4' energy: -40.307
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -44.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -536.652737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.652737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.652737 (E_RNA)
where:
Base-Base interactions energy: -365.778
where: short stacking energy: -145.484
Base-Backbone interact. energy: -0.422
local terms energy: -170.452854
where:
bonds (distance) C4'-P energy: -33.598
bonds (distance) P-C4' energy: -38.344
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -42.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -530.242280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.242280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.242280 (E_RNA)
where:
Base-Base interactions energy: -372.668
where: short stacking energy: -155.735
Base-Backbone interact. energy: -1.204
local terms energy: -156.370450
where:
bonds (distance) C4'-P energy: -36.882
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -41.778
flat angles P-C4'-P energy: -20.643
tors. eta vs tors. theta energy: -32.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -379.018151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.018151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.018151 (E_RNA)
where:
Base-Base interactions energy: -220.020
where: short stacking energy: -125.573
Base-Backbone interact. energy: 1.187
local terms energy: -160.184724
where:
bonds (distance) C4'-P energy: -32.651
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -35.612
flat angles P-C4'-P energy: -25.228
tors. eta vs tors. theta energy: -33.301
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: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -294.901087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.901087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.901087 (E_RNA)
where:
Base-Base interactions energy: -144.597
where: short stacking energy: -80.047
Base-Backbone interact. energy: -1.169
local terms energy: -149.134828
where:
bonds (distance) C4'-P energy: -32.610
bonds (distance) P-C4' energy: -30.616
flat angles C4'-P-C4' energy: -40.401
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -338.736853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.736853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.736853 (E_RNA)
where:
Base-Base interactions energy: -186.704
where: short stacking energy: -92.195
Base-Backbone interact. energy: -0.837
local terms energy: -151.195895
where:
bonds (distance) C4'-P energy: -34.697
bonds (distance) P-C4' energy: -35.933
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -26.062
tors. eta vs tors. theta energy: -22.559
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: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -233.316363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.316363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.316363 (E_RNA)
where:
Base-Base interactions energy: -110.770
where: short stacking energy: -62.638
Base-Backbone interact. energy: -0.613
local terms energy: -121.933348
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -36.216
flat angles C4'-P-C4' energy: -26.766
flat angles P-C4'-P energy: -17.139
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: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -626.291171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.291171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.291171 (E_RNA)
where:
Base-Base interactions energy: -422.269
where: short stacking energy: -180.906
Base-Backbone interact. energy: -0.980
local terms energy: -203.042030
where:
bonds (distance) C4'-P energy: -39.943
bonds (distance) P-C4' energy: -38.027
flat angles C4'-P-C4' energy: -38.215
flat angles P-C4'-P energy: -32.781
tors. eta vs tors. theta energy: -54.075
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: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -630.535297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.535297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.535297 (E_RNA)
where:
Base-Base interactions energy: -440.012
where: short stacking energy: -185.290
Base-Backbone interact. energy: 1.066
local terms energy: -191.589181
where:
bonds (distance) C4'-P energy: -37.188
bonds (distance) P-C4' energy: -35.118
flat angles C4'-P-C4' energy: -43.461
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -49.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -608.134377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.134377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.134377 (E_RNA)
where:
Base-Base interactions energy: -417.710
where: short stacking energy: -177.770
Base-Backbone interact. energy: -2.147
local terms energy: -188.277177
where:
bonds (distance) C4'-P energy: -31.292
bonds (distance) P-C4' energy: -33.811
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -25.891
tors. eta vs tors. theta energy: -59.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -541.655041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.655041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.655041 (E_RNA)
where:
Base-Base interactions energy: -362.750
where: short stacking energy: -155.200
Base-Backbone interact. energy: -0.932
local terms energy: -177.973411
where:
bonds (distance) C4'-P energy: -33.406
bonds (distance) P-C4' energy: -38.497
flat angles C4'-P-C4' energy: -39.153
flat angles P-C4'-P energy: -22.282
tors. eta vs tors. theta energy: -44.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -492.360842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.360842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.360842 (E_RNA)
where:
Base-Base interactions energy: -322.509
where: short stacking energy: -147.465
Base-Backbone interact. energy: -0.372
local terms energy: -169.479747
where:
bonds (distance) C4'-P energy: -40.541
bonds (distance) P-C4' energy: -31.026
flat angles C4'-P-C4' energy: -35.991
flat angles P-C4'-P energy: -24.181
tors. eta vs tors. theta energy: -37.740
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: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -464.976681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.976681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.976681 (E_RNA)
where:
Base-Base interactions energy: -313.508
where: short stacking energy: -137.300
Base-Backbone interact. energy: -0.095
local terms energy: -151.372849
where:
bonds (distance) C4'-P energy: -28.927
bonds (distance) P-C4' energy: -38.468
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -22.396
tors. eta vs tors. theta energy: -30.520
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: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -351.958655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.958655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.958655 (E_RNA)
where:
Base-Base interactions energy: -204.398
where: short stacking energy: -130.371
Base-Backbone interact. energy: -0.307
local terms energy: -147.254004
where:
bonds (distance) C4'-P energy: -31.213
bonds (distance) P-C4' energy: -28.742
flat angles C4'-P-C4' energy: -38.062
flat angles P-C4'-P energy: -19.506
tors. eta vs tors. theta energy: -29.731
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: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -341.374035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.374035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.374035 (E_RNA)
where:
Base-Base interactions energy: -187.986
where: short stacking energy: -95.072
Base-Backbone interact. energy: -0.649
local terms energy: -152.738512
where:
bonds (distance) C4'-P energy: -35.470
bonds (distance) P-C4' energy: -35.467
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -28.570
tors. eta vs tors. theta energy: -24.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -265.834565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.834565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.834565 (E_RNA)
where:
Base-Base interactions energy: -140.895
where: short stacking energy: -74.376
Base-Backbone interact. energy: -0.351
local terms energy: -124.588104
where:
bonds (distance) C4'-P energy: -40.655
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -181.886965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.886965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.886965 (E_RNA)
where:
Base-Base interactions energy: -67.023
where: short stacking energy: -64.628
Base-Backbone interact. energy: -0.445
local terms energy: -114.418979
where:
bonds (distance) C4'-P energy: -35.444
bonds (distance) P-C4' energy: -26.390
flat angles C4'-P-C4' energy: -22.222
flat angles P-C4'-P energy: -22.639
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -658.202199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.202199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.202199 (E_RNA)
where:
Base-Base interactions energy: -456.332
where: short stacking energy: -191.243
Base-Backbone interact. energy: -0.265
local terms energy: -201.604553
where:
bonds (distance) C4'-P energy: -41.750
bonds (distance) P-C4' energy: -38.697
flat angles C4'-P-C4' energy: -43.048
flat angles P-C4'-P energy: -27.438
tors. eta vs tors. theta energy: -50.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -638.717854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.717854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.717854 (E_RNA)
where:
Base-Base interactions energy: -433.560
where: short stacking energy: -176.400
Base-Backbone interact. energy: -3.829
local terms energy: -201.328900
where:
bonds (distance) C4'-P energy: -39.891
bonds (distance) P-C4' energy: -41.373
flat angles C4'-P-C4' energy: -43.050
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -47.858
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: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -541.592985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.592985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.592985 (E_RNA)
where:
Base-Base interactions energy: -362.797
where: short stacking energy: -163.755
Base-Backbone interact. energy: -0.651
local terms energy: -178.145853
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -37.504
flat angles C4'-P-C4' energy: -43.004
flat angles P-C4'-P energy: -20.911
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: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -593.317442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.317442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.317442 (E_RNA)
where:
Base-Base interactions energy: -411.487
where: short stacking energy: -178.862
Base-Backbone interact. energy: -1.570
local terms energy: -180.260452
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -27.178
flat angles C4'-P-C4' energy: -37.047
flat angles P-C4'-P energy: -24.552
tors. eta vs tors. theta energy: -55.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -490.385845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.385845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.385845 (E_RNA)
where:
Base-Base interactions energy: -318.728
where: short stacking energy: -155.472
Base-Backbone interact. energy: -0.196
local terms energy: -171.461754
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -30.305
flat angles C4'-P-C4' energy: -41.605
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -46.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -489.980969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.980969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.980969 (E_RNA)
where:
Base-Base interactions energy: -328.662
where: short stacking energy: -136.508
Base-Backbone interact. energy: -1.404
local terms energy: -159.914330
where:
bonds (distance) C4'-P energy: -36.347
bonds (distance) P-C4' energy: -35.927
flat angles C4'-P-C4' energy: -31.512
flat angles P-C4'-P energy: -23.032
tors. eta vs tors. theta energy: -33.097
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: 160
Temperature: 1.200000
Total energy: -342.401919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.401919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.401919 (E_RNA)
where:
Base-Base interactions energy: -197.731
where: short stacking energy: -106.618
Base-Backbone interact. energy: 1.793
local terms energy: -146.463847
where:
bonds (distance) C4'-P energy: -26.388
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -39.624
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -31.870
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: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -308.940533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.940533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.940533 (E_RNA)
where:
Base-Base interactions energy: -171.109
where: short stacking energy: -87.172
Base-Backbone interact. energy: -0.435
local terms energy: -137.396643
where:
bonds (distance) C4'-P energy: -30.005
bonds (distance) P-C4' energy: -41.107
flat angles C4'-P-C4' energy: -29.012
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -269.334819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.334819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.334819 (E_RNA)
where:
Base-Base interactions energy: -147.272
where: short stacking energy: -71.328
Base-Backbone interact. energy: -0.434
local terms energy: -121.628609
where:
bonds (distance) C4'-P energy: -36.083
bonds (distance) P-C4' energy: -37.479
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -17.642
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: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -192.453101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.453101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.453101 (E_RNA)
where:
Base-Base interactions energy: -70.610
where: short stacking energy: -66.062
Base-Backbone interact. energy: -0.223
local terms energy: -121.620927
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -11.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -635.633378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.633378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.633378 (E_RNA)
where:
Base-Base interactions energy: -435.249
where: short stacking energy: -186.549
Base-Backbone interact. energy: -0.692
local terms energy: -199.691866
where:
bonds (distance) C4'-P energy: -36.387
bonds (distance) P-C4' energy: -37.572
flat angles C4'-P-C4' energy: -39.951
flat angles P-C4'-P energy: -31.297
tors. eta vs tors. theta energy: -54.485
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: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -624.203095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.203095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.203095 (E_RNA)
where:
Base-Base interactions energy: -439.616
where: short stacking energy: -173.837
Base-Backbone interact. energy: -1.281
local terms energy: -183.306629
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -40.157
flat angles C4'-P-C4' energy: -34.843
flat angles P-C4'-P energy: -28.919
tors. eta vs tors. theta energy: -50.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -533.312690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.312690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.312690 (E_RNA)
where:
Base-Base interactions energy: -336.811
where: short stacking energy: -156.972
Base-Backbone interact. energy: -0.161
local terms energy: -196.340356
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -42.460
flat angles C4'-P-C4' energy: -46.537
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -41.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -585.946776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.946776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.946776 (E_RNA)
where:
Base-Base interactions energy: -407.014
where: short stacking energy: -180.927
Base-Backbone interact. energy: -0.123
local terms energy: -178.810166
where:
bonds (distance) C4'-P energy: -30.021
bonds (distance) P-C4' energy: -33.524
flat angles C4'-P-C4' energy: -39.542
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -49.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -529.488803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.488803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.488803 (E_RNA)
where:
Base-Base interactions energy: -347.468
where: short stacking energy: -142.327
Base-Backbone interact. energy: 0.350
local terms energy: -182.370733
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -37.608
flat angles C4'-P-C4' energy: -42.870
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -41.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -495.929772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.929772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.929772 (E_RNA)
where:
Base-Base interactions energy: -326.993
where: short stacking energy: -136.480
Base-Backbone interact. energy: -1.571
local terms energy: -167.365604
where:
bonds (distance) C4'-P energy: -35.260
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -37.710
flat angles P-C4'-P energy: -21.739
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: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -367.210542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.210542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.210542 (E_RNA)
where:
Base-Base interactions energy: -223.867
where: short stacking energy: -117.090
Base-Backbone interact. energy: -0.836
local terms energy: -142.507221
where:
bonds (distance) C4'-P energy: -26.002
bonds (distance) P-C4' energy: -39.172
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: -30.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -288.172305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.172305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.172305 (E_RNA)
where:
Base-Base interactions energy: -149.176
where: short stacking energy: -74.519
Base-Backbone interact. energy: -1.833
local terms energy: -137.162880
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -36.194
flat angles C4'-P-C4' energy: -36.112
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -13.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -248.268122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.268122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.268122 (E_RNA)
where:
Base-Base interactions energy: -121.995
where: short stacking energy: -63.408
Base-Backbone interact. energy: -0.134
local terms energy: -126.138620
where:
bonds (distance) C4'-P energy: -35.562
bonds (distance) P-C4' energy: -32.057
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -167.470673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.470673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.470673 (E_RNA)
where:
Base-Base interactions energy: -56.057
where: short stacking energy: -54.427
Base-Backbone interact. energy: -2.085
local terms energy: -109.328560
where:
bonds (distance) C4'-P energy: -35.272
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: 4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -633.381616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.381616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.381616 (E_RNA)
where:
Base-Base interactions energy: -437.419
where: short stacking energy: -179.412
Base-Backbone interact. energy: 0.429
local terms energy: -196.391667
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -40.660
flat angles C4'-P-C4' energy: -40.734
flat angles P-C4'-P energy: -31.988
tors. eta vs tors. theta energy: -50.209
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: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -638.274702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.274702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.274702 (E_RNA)
where:
Base-Base interactions energy: -434.836
where: short stacking energy: -192.044
Base-Backbone interact. energy: 0.506
local terms energy: -203.944768
where:
bonds (distance) C4'-P energy: -35.413
bonds (distance) P-C4' energy: -41.422
flat angles C4'-P-C4' energy: -40.240
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -58.344
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: 162
Temperature: 1.000000
Total energy: -619.378563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.378563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.378563 (E_RNA)
where:
Base-Base interactions energy: -413.776
where: short stacking energy: -175.744
Base-Backbone interact. energy: -0.839
local terms energy: -204.762948
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -45.553
flat angles C4'-P-C4' energy: -44.332
flat angles P-C4'-P energy: -26.469
tors. eta vs tors. theta energy: -56.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -518.131939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.131939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.131939 (E_RNA)
where:
Base-Base interactions energy: -346.271
where: short stacking energy: -148.340
Base-Backbone interact. energy: -1.219
local terms energy: -170.641888
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -41.091
flat angles C4'-P-C4' energy: -38.814
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -38.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -498.470017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.470017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.470017 (E_RNA)
where:
Base-Base interactions energy: -334.119
where: short stacking energy: -132.985
Base-Backbone interact. energy: 1.371
local terms energy: -165.722189
where:
bonds (distance) C4'-P energy: -35.202
bonds (distance) P-C4' energy: -36.072
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -24.646
tors. eta vs tors. theta energy: -41.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -496.075707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.075707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.075707 (E_RNA)
where:
Base-Base interactions energy: -336.852
where: short stacking energy: -134.476
Base-Backbone interact. energy: -1.147
local terms energy: -158.077087
where:
bonds (distance) C4'-P energy: -34.840
bonds (distance) P-C4' energy: -31.647
flat angles C4'-P-C4' energy: -29.556
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -37.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -316.417699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.417699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.417699 (E_RNA)
where:
Base-Base interactions energy: -182.796
where: short stacking energy: -87.593
Base-Backbone interact. energy: -1.364
local terms energy: -132.257213
where:
bonds (distance) C4'-P energy: -35.165
bonds (distance) P-C4' energy: -32.461
flat angles C4'-P-C4' energy: -37.434
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -14.099
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: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -345.314155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.314155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.314155 (E_RNA)
where:
Base-Base interactions energy: -194.789
where: short stacking energy: -105.498
Base-Backbone interact. energy: 0.648
local terms energy: -151.173410
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -40.630
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -20.511
tors. eta vs tors. theta energy: -22.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -255.716190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.716190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.716190 (E_RNA)
where:
Base-Base interactions energy: -129.676
where: short stacking energy: -84.466
Base-Backbone interact. energy: -2.083
local terms energy: -123.957603
where:
bonds (distance) C4'-P energy: -32.042
bonds (distance) P-C4' energy: -40.877
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -176.083470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.083470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.083470 (E_RNA)
where:
Base-Base interactions energy: -75.181
where: short stacking energy: -54.158
Base-Backbone interact. energy: -0.809
local terms energy: -100.094161
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -29.361
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -20.410
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: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -627.374537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.374537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.374537 (E_RNA)
where:
Base-Base interactions energy: -435.003
where: short stacking energy: -191.549
Base-Backbone interact. energy: -2.100
local terms energy: -190.271194
where:
bonds (distance) C4'-P energy: -37.629
bonds (distance) P-C4' energy: -35.579
flat angles C4'-P-C4' energy: -41.564
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -51.105
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: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -641.887685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.887685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.887685 (E_RNA)
where:
Base-Base interactions energy: -437.786
where: short stacking energy: -185.658
Base-Backbone interact. energy: -0.332
local terms energy: -203.769830
where:
bonds (distance) C4'-P energy: -30.783
bonds (distance) P-C4' energy: -41.760
flat angles C4'-P-C4' energy: -47.899
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -59.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -597.202050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.202050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.202050 (E_RNA)
where:
Base-Base interactions energy: -403.248
where: short stacking energy: -179.136
Base-Backbone interact. energy: -2.268
local terms energy: -191.686562
where:
bonds (distance) C4'-P energy: -38.194
bonds (distance) P-C4' energy: -32.251
flat angles C4'-P-C4' energy: -37.122
flat angles P-C4'-P energy: -28.256
tors. eta vs tors. theta energy: -55.864
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: 163
Temperature: 1.050000
Total energy: -518.867961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.867961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.867961 (E_RNA)
where:
Base-Base interactions energy: -329.431
where: short stacking energy: -148.753
Base-Backbone interact. energy: -1.212
local terms energy: -188.224899
where:
bonds (distance) C4'-P energy: -39.307
bonds (distance) P-C4' energy: -41.430
flat angles C4'-P-C4' energy: -38.012
flat angles P-C4'-P energy: -27.701
tors. eta vs tors. theta energy: -41.775
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: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -535.729615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.729615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.729615 (E_RNA)
where:
Base-Base interactions energy: -369.516
where: short stacking energy: -167.973
Base-Backbone interact. energy: -0.305
local terms energy: -165.908426
where:
bonds (distance) C4'-P energy: -37.159
bonds (distance) P-C4' energy: -28.983
flat angles C4'-P-C4' energy: -36.876
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -44.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -491.045202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.045202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.045202 (E_RNA)
where:
Base-Base interactions energy: -329.623
where: short stacking energy: -136.585
Base-Backbone interact. energy: -2.286
local terms energy: -159.136416
where:
bonds (distance) C4'-P energy: -31.402
bonds (distance) P-C4' energy: -31.912
flat angles C4'-P-C4' energy: -38.545
flat angles P-C4'-P energy: -28.145
tors. eta vs tors. theta energy: -29.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -291.327622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.327622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.327622 (E_RNA)
where:
Base-Base interactions energy: -163.405
where: short stacking energy: -88.003
Base-Backbone interact. energy: -0.173
local terms energy: -127.749398
where:
bonds (distance) C4'-P energy: -35.445
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -327.302353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.302353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.302353 (E_RNA)
where:
Base-Base interactions energy: -186.467
where: short stacking energy: -98.942
Base-Backbone interact. energy: -2.884
local terms energy: -137.951718
where:
bonds (distance) C4'-P energy: -37.823
bonds (distance) P-C4' energy: -30.293
flat angles C4'-P-C4' energy: -31.605
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -24.575
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: 9, replica: 2
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -255.672165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.672165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.672165 (E_RNA)
where:
Base-Base interactions energy: -129.798
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.943
local terms energy: -124.931222
where:
bonds (distance) C4'-P energy: -35.993
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -29.394
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -188.287345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.287345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.287345 (E_RNA)
where:
Base-Base interactions energy: -71.039
where: short stacking energy: -60.711
Base-Backbone interact. energy: -0.701
local terms energy: -116.547619
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -28.937
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -6.901
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: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -654.724135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.724135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.724135 (E_RNA)
where:
Base-Base interactions energy: -436.797
where: short stacking energy: -203.571
Base-Backbone interact. energy: -0.709
local terms energy: -217.217884
where:
bonds (distance) C4'-P energy: -39.547
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -49.703
flat angles P-C4'-P energy: -30.360
tors. eta vs tors. theta energy: -58.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -637.415845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.415845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.415845 (E_RNA)
where:
Base-Base interactions energy: -440.139
where: short stacking energy: -176.551
Base-Backbone interact. energy: -1.102
local terms energy: -196.175765
where:
bonds (distance) C4'-P energy: -40.067
bonds (distance) P-C4' energy: -40.697
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -31.970
tors. eta vs tors. theta energy: -51.039
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: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -595.571179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.571179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.571179 (E_RNA)
where:
Base-Base interactions energy: -392.101
where: short stacking energy: -170.838
Base-Backbone interact. energy: -0.441
local terms energy: -203.028964
where:
bonds (distance) C4'-P energy: -39.785
bonds (distance) P-C4' energy: -40.191
flat angles C4'-P-C4' energy: -41.019
flat angles P-C4'-P energy: -27.889
tors. eta vs tors. theta energy: -54.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -525.378020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.378020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.378020 (E_RNA)
where:
Base-Base interactions energy: -336.335
where: short stacking energy: -157.400
Base-Backbone interact. energy: 0.730
local terms energy: -189.773317
where:
bonds (distance) C4'-P energy: -36.878
bonds (distance) P-C4' energy: -37.528
flat angles C4'-P-C4' energy: -38.452
flat angles P-C4'-P energy: -28.999
tors. eta vs tors. theta energy: -47.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -510.888756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.888756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.888756 (E_RNA)
where:
Base-Base interactions energy: -344.938
where: short stacking energy: -160.429
Base-Backbone interact. energy: -0.406
local terms energy: -165.545456
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -36.429
flat angles C4'-P-C4' energy: -42.533
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -42.315
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: 164
Temperature: 1.150000
Total energy: -479.546529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.546529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.546529 (E_RNA)
where:
Base-Base interactions energy: -305.883
where: short stacking energy: -131.243
Base-Backbone interact. energy: -0.336
local terms energy: -173.327819
where:
bonds (distance) C4'-P energy: -38.605
bonds (distance) P-C4' energy: -45.361
flat angles C4'-P-C4' energy: -39.248
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -27.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -351.836545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.836545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.836545 (E_RNA)
where:
Base-Base interactions energy: -206.890
where: short stacking energy: -108.541
Base-Backbone interact. energy: -0.712
local terms energy: -144.234747
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -36.304
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -285.433084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.433084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.433084 (E_RNA)
where:
Base-Base interactions energy: -152.157
where: short stacking energy: -101.107
Base-Backbone interact. energy: -0.840
local terms energy: -132.436128
where:
bonds (distance) C4'-P energy: -32.379
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -187.182471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.182471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.182471 (E_RNA)
where:
Base-Base interactions energy: -74.765
where: short stacking energy: -48.843
Base-Backbone interact. energy: -1.153
local terms energy: -111.264123
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -40.213
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: 1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -250.985025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.985025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.985025 (E_RNA)
where:
Base-Base interactions energy: -138.213
where: short stacking energy: -70.074
Base-Backbone interact. energy: -0.869
local terms energy: -111.903462
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -31.867
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -9.223
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: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -642.241125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.241125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.241125 (E_RNA)
where:
Base-Base interactions energy: -437.787
where: short stacking energy: -179.822
Base-Backbone interact. energy: -1.183
local terms energy: -203.270193
where:
bonds (distance) C4'-P energy: -38.394
bonds (distance) P-C4' energy: -39.666
flat angles C4'-P-C4' energy: -39.483
flat angles P-C4'-P energy: -31.849
tors. eta vs tors. theta energy: -53.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -602.543724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.543724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.543724 (E_RNA)
where:
Base-Base interactions energy: -404.290
where: short stacking energy: -183.762
Base-Backbone interact. energy: -0.767
local terms energy: -197.486517
where:
bonds (distance) C4'-P energy: -39.582
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -46.616
flat angles P-C4'-P energy: -23.665
tors. eta vs tors. theta energy: -50.193
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: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -615.233833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.233833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.233833 (E_RNA)
where:
Base-Base interactions energy: -422.539
where: short stacking energy: -168.864
Base-Backbone interact. energy: -1.125
local terms energy: -191.569879
where:
bonds (distance) C4'-P energy: -40.532
bonds (distance) P-C4' energy: -36.873
flat angles C4'-P-C4' energy: -39.921
flat angles P-C4'-P energy: -24.314
tors. eta vs tors. theta energy: -49.930
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: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -528.087505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.087505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.087505 (E_RNA)
where:
Base-Base interactions energy: -363.039
where: short stacking energy: -147.861
Base-Backbone interact. energy: -0.768
local terms energy: -164.280595
where:
bonds (distance) C4'-P energy: -29.425
bonds (distance) P-C4' energy: -36.601
flat angles C4'-P-C4' energy: -33.427
flat angles P-C4'-P energy: -26.782
tors. eta vs tors. theta energy: -38.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -548.961111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.961111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.961111 (E_RNA)
where:
Base-Base interactions energy: -373.656
where: short stacking energy: -165.025
Base-Backbone interact. energy: -0.859
local terms energy: -174.446131
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -40.705
flat angles P-C4'-P energy: -29.676
tors. eta vs tors. theta energy: -46.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -490.867734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.867734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.867734 (E_RNA)
where:
Base-Base interactions energy: -324.828
where: short stacking energy: -144.102
Base-Backbone interact. energy: 0.522
local terms energy: -166.562482
where:
bonds (distance) C4'-P energy: -34.343
bonds (distance) P-C4' energy: -31.619
flat angles C4'-P-C4' energy: -35.287
flat angles P-C4'-P energy: -27.755
tors. eta vs tors. theta energy: -37.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -348.617264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.617264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.617264 (E_RNA)
where:
Base-Base interactions energy: -198.393
where: short stacking energy: -105.078
Base-Backbone interact. energy: 0.476
local terms energy: -150.700185
where:
bonds (distance) C4'-P energy: -36.927
bonds (distance) P-C4' energy: -33.504
flat angles C4'-P-C4' energy: -38.342
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -274.032496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.032496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.032496 (E_RNA)
where:
Base-Base interactions energy: -149.429
where: short stacking energy: -82.294
Base-Backbone interact. energy: 4.821
local terms energy: -129.423777
where:
bonds (distance) C4'-P energy: -32.194
bonds (distance) P-C4' energy: -34.453
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -172.544029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.544029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.544029 (E_RNA)
where:
Base-Base interactions energy: -66.267
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.688
local terms energy: -105.589206
where:
bonds (distance) C4'-P energy: -30.970
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -29.605
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -234.064578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.064578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.064578 (E_RNA)
where:
Base-Base interactions energy: -120.901
where: short stacking energy: -78.700
Base-Backbone interact. energy: -0.794
local terms energy: -112.369825
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -8.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -666.261788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.261788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.261788 (E_RNA)
where:
Base-Base interactions energy: -462.615
where: short stacking energy: -199.995
Base-Backbone interact. energy: -0.205
local terms energy: -203.441316
where:
bonds (distance) C4'-P energy: -33.013
bonds (distance) P-C4' energy: -36.443
flat angles C4'-P-C4' energy: -42.905
flat angles P-C4'-P energy: -30.319
tors. eta vs tors. theta energy: -60.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -609.143961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.143961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.143961 (E_RNA)
where:
Base-Base interactions energy: -415.923
where: short stacking energy: -173.729
Base-Backbone interact. energy: 0.252
local terms energy: -193.473455
where:
bonds (distance) C4'-P energy: -39.637
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -37.639
flat angles P-C4'-P energy: -28.788
tors. eta vs tors. theta energy: -49.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -610.671841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.671841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.671841 (E_RNA)
where:
Base-Base interactions energy: -419.052
where: short stacking energy: -174.201
Base-Backbone interact. energy: -0.048
local terms energy: -191.572034
where:
bonds (distance) C4'-P energy: -41.265
bonds (distance) P-C4' energy: -29.871
flat angles C4'-P-C4' energy: -39.243
flat angles P-C4'-P energy: -33.151
tors. eta vs tors. theta energy: -48.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -522.529579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.529579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.529579 (E_RNA)
where:
Base-Base interactions energy: -333.108
where: short stacking energy: -151.096
Base-Backbone interact. energy: -0.208
local terms energy: -189.213566
where:
bonds (distance) C4'-P energy: -39.387
bonds (distance) P-C4' energy: -39.562
flat angles C4'-P-C4' energy: -43.268
flat angles P-C4'-P energy: -27.394
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: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -496.067046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.067046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.067046 (E_RNA)
where:
Base-Base interactions energy: -332.232
where: short stacking energy: -141.794
Base-Backbone interact. energy: 1.823
local terms energy: -165.657536
where:
bonds (distance) C4'-P energy: -37.093
bonds (distance) P-C4' energy: -35.635
flat angles C4'-P-C4' energy: -35.842
flat angles P-C4'-P energy: -21.092
tors. eta vs tors. theta energy: -35.995
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: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -514.801299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.801299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.801299 (E_RNA)
where:
Base-Base interactions energy: -345.899
where: short stacking energy: -150.070
Base-Backbone interact. energy: 0.310
local terms energy: -169.211873
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -37.622
flat angles C4'-P-C4' energy: -34.564
flat angles P-C4'-P energy: -26.526
tors. eta vs tors. theta energy: -41.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -346.057619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.057619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.057619 (E_RNA)
where:
Base-Base interactions energy: -226.368
where: short stacking energy: -124.927
Base-Backbone interact. energy: 2.774
local terms energy: -122.464295
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -31.619
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -26.295
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: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -307.322473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.322473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.322473 (E_RNA)
where:
Base-Base interactions energy: -176.188
where: short stacking energy: -87.574
Base-Backbone interact. energy: 2.228
local terms energy: -133.362010
where:
bonds (distance) C4'-P energy: -29.515
bonds (distance) P-C4' energy: -42.467
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -20.817
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: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -218.260801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.260801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.260801 (E_RNA)
where:
Base-Base interactions energy: -88.009
where: short stacking energy: -62.622
Base-Backbone interact. energy: 0.682
local terms energy: -130.934439
where:
bonds (distance) C4'-P energy: -35.451
bonds (distance) P-C4' energy: -37.487
flat angles C4'-P-C4' energy: -30.761
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -5.547
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: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -176.219858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.219858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.219858 (E_RNA)
where:
Base-Base interactions energy: -52.882
where: short stacking energy: -52.484
Base-Backbone interact. energy: -0.650
local terms energy: -122.687678
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -35.625
flat angles C4'-P-C4' energy: -30.531
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -3.622
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: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -674.218851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.218851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.218851 (E_RNA)
where:
Base-Base interactions energy: -462.727
where: short stacking energy: -200.622
Base-Backbone interact. energy: -0.451
local terms energy: -211.041168
where:
bonds (distance) C4'-P energy: -41.533
bonds (distance) P-C4' energy: -42.792
flat angles C4'-P-C4' energy: -44.715
flat angles P-C4'-P energy: -26.706
tors. eta vs tors. theta energy: -55.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -623.408560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.408560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.408560 (E_RNA)
where:
Base-Base interactions energy: -419.313
where: short stacking energy: -194.937
Base-Backbone interact. energy: -0.049
local terms energy: -204.046571
where:
bonds (distance) C4'-P energy: -35.524
bonds (distance) P-C4' energy: -40.153
flat angles C4'-P-C4' energy: -43.781
flat angles P-C4'-P energy: -29.873
tors. eta vs tors. theta energy: -54.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -600.898081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.898081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.898081 (E_RNA)
where:
Base-Base interactions energy: -423.623
where: short stacking energy: -169.654
Base-Backbone interact. energy: -0.439
local terms energy: -176.835815
where:
bonds (distance) C4'-P energy: -31.309
bonds (distance) P-C4' energy: -41.497
flat angles C4'-P-C4' energy: -36.751
flat angles P-C4'-P energy: -22.312
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: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -541.770480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.770480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.770480 (E_RNA)
where:
Base-Base interactions energy: -342.797
where: short stacking energy: -148.991
Base-Backbone interact. energy: -0.046
local terms energy: -198.927982
where:
bonds (distance) C4'-P energy: -35.562
bonds (distance) P-C4' energy: -43.558
flat angles C4'-P-C4' energy: -41.815
flat angles P-C4'-P energy: -33.190
tors. eta vs tors. theta energy: -44.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -540.702696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.702696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.702696 (E_RNA)
where:
Base-Base interactions energy: -357.594
where: short stacking energy: -155.055
Base-Backbone interact. energy: -0.245
local terms energy: -182.863298
where:
bonds (distance) C4'-P energy: -33.691
bonds (distance) P-C4' energy: -38.520
flat angles C4'-P-C4' energy: -42.095
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -42.403
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: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -524.873587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.873587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.873587 (E_RNA)
where:
Base-Base interactions energy: -339.311
where: short stacking energy: -159.598
Base-Backbone interact. energy: -1.275
local terms energy: -184.288302
where:
bonds (distance) C4'-P energy: -37.288
bonds (distance) P-C4' energy: -42.199
flat angles C4'-P-C4' energy: -38.480
flat angles P-C4'-P energy: -21.028
tors. eta vs tors. theta energy: -45.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -363.803764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.803764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.803764 (E_RNA)
where:
Base-Base interactions energy: -211.053
where: short stacking energy: -104.092
Base-Backbone interact. energy: -1.957
local terms energy: -150.793941
where:
bonds (distance) C4'-P energy: -35.589
bonds (distance) P-C4' energy: -37.383
flat angles C4'-P-C4' energy: -40.605
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -24.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -316.230557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.230557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.230557 (E_RNA)
where:
Base-Base interactions energy: -194.654
where: short stacking energy: -71.320
Base-Backbone interact. energy: 0.118
local terms energy: -121.694117
where:
bonds (distance) C4'-P energy: -29.117
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -31.637
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -205.056874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.056874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.056874 (E_RNA)
where:
Base-Base interactions energy: -103.152
where: short stacking energy: -57.197
Base-Backbone interact. energy: 1.058
local terms energy: -102.963305
where:
bonds (distance) C4'-P energy: -41.087
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -25.395
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: 5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -239.063700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.063700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.063700 (E_RNA)
where:
Base-Base interactions energy: -125.142
where: short stacking energy: -73.377
Base-Backbone interact. energy: 0.048
local terms energy: -113.969130
where:
bonds (distance) C4'-P energy: -30.617
bonds (distance) P-C4' energy: -32.452
flat angles C4'-P-C4' energy: -37.185
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: 3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -651.650977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.650977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.650977 (E_RNA)
where:
Base-Base interactions energy: -448.170
where: short stacking energy: -193.163
Base-Backbone interact. energy: -0.837
local terms energy: -202.644320
where:
bonds (distance) C4'-P energy: -36.997
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -42.757
flat angles P-C4'-P energy: -28.848
tors. eta vs tors. theta energy: -59.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -623.380673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.380673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.380673 (E_RNA)
where:
Base-Base interactions energy: -419.849
where: short stacking energy: -190.348
Base-Backbone interact. energy: -2.061
local terms energy: -201.471257
where:
bonds (distance) C4'-P energy: -38.801
bonds (distance) P-C4' energy: -34.950
flat angles C4'-P-C4' energy: -43.117
flat angles P-C4'-P energy: -25.574
tors. eta vs tors. theta energy: -59.029
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: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -617.647034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.647034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.647034 (E_RNA)
where:
Base-Base interactions energy: -415.489
where: short stacking energy: -184.903
Base-Backbone interact. energy: -2.712
local terms energy: -199.446412
where:
bonds (distance) C4'-P energy: -41.050
bonds (distance) P-C4' energy: -38.270
flat angles C4'-P-C4' energy: -39.510
flat angles P-C4'-P energy: -28.408
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: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -550.993002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.993002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.993002 (E_RNA)
where:
Base-Base interactions energy: -366.640
where: short stacking energy: -169.175
Base-Backbone interact. energy: -0.687
local terms energy: -183.666071
where:
bonds (distance) C4'-P energy: -28.125
bonds (distance) P-C4' energy: -42.981
flat angles C4'-P-C4' energy: -45.369
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -50.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -478.195880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.195880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.195880 (E_RNA)
where:
Base-Base interactions energy: -315.566
where: short stacking energy: -129.429
Base-Backbone interact. energy: -0.657
local terms energy: -161.973260
where:
bonds (distance) C4'-P energy: -31.052
bonds (distance) P-C4' energy: -38.432
flat angles C4'-P-C4' energy: -37.289
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -38.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -518.768565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.768565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.768565 (E_RNA)
where:
Base-Base interactions energy: -342.194
where: short stacking energy: -142.687
Base-Backbone interact. energy: -0.704
local terms energy: -175.871272
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -39.299
flat angles C4'-P-C4' energy: -39.560
flat angles P-C4'-P energy: -22.413
tors. eta vs tors. theta energy: -43.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -392.977679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.977679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.977679 (E_RNA)
where:
Base-Base interactions energy: -243.629
where: short stacking energy: -114.085
Base-Backbone interact. energy: -0.194
local terms energy: -149.154977
where:
bonds (distance) C4'-P energy: -35.470
bonds (distance) P-C4' energy: -30.662
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -25.458
tors. eta vs tors. theta energy: -24.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -353.999355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.999355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.999355 (E_RNA)
where:
Base-Base interactions energy: -214.663
where: short stacking energy: -97.190
Base-Backbone interact. energy: -0.576
local terms energy: -138.760373
where:
bonds (distance) C4'-P energy: -32.315
bonds (distance) P-C4' energy: -35.802
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -23.218
tors. eta vs tors. theta energy: -18.828
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: 168
Temperature: 1.300000
Total energy: -244.750985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.750985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.750985 (E_RNA)
where:
Base-Base interactions energy: -126.510
where: short stacking energy: -68.850
Base-Backbone interact. energy: -0.820
local terms energy: -117.420290
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -31.877
flat angles C4'-P-C4' energy: -33.139
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -6.770
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: 10, replica: 2
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -176.005770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.005770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.005770 (E_RNA)
where:
Base-Base interactions energy: -61.325
where: short stacking energy: -57.061
Base-Backbone interact. energy: -0.582
local terms energy: -114.098537
where:
bonds (distance) C4'-P energy: -32.912
bonds (distance) P-C4' energy: -36.128
flat angles C4'-P-C4' energy: -25.391
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -0.012
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: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -662.449876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.449876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.449876 (E_RNA)
where:
Base-Base interactions energy: -445.267
where: short stacking energy: -199.967
Base-Backbone interact. energy: -1.919
local terms energy: -215.263810
where:
bonds (distance) C4'-P energy: -43.824
bonds (distance) P-C4' energy: -39.235
flat angles C4'-P-C4' energy: -49.554
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -59.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -618.566899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.566899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.566899 (E_RNA)
where:
Base-Base interactions energy: -425.617
where: short stacking energy: -177.043
Base-Backbone interact. energy: -2.524
local terms energy: -190.425449
where:
bonds (distance) C4'-P energy: -37.968
bonds (distance) P-C4' energy: -37.781
flat angles C4'-P-C4' energy: -32.657
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -51.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -615.636120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.636120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.636120 (E_RNA)
where:
Base-Base interactions energy: -417.335
where: short stacking energy: -171.172
Base-Backbone interact. energy: -0.208
local terms energy: -198.093938
where:
bonds (distance) C4'-P energy: -43.115
bonds (distance) P-C4' energy: -35.193
flat angles C4'-P-C4' energy: -40.031
flat angles P-C4'-P energy: -29.047
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: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -548.684272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.684272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.684272 (E_RNA)
where:
Base-Base interactions energy: -352.801
where: short stacking energy: -151.593
Base-Backbone interact. energy: -0.694
local terms energy: -195.189211
where:
bonds (distance) C4'-P energy: -34.400
bonds (distance) P-C4' energy: -41.521
flat angles C4'-P-C4' energy: -42.155
flat angles P-C4'-P energy: -30.348
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: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -480.449191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.449191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.449191 (E_RNA)
where:
Base-Base interactions energy: -313.134
where: short stacking energy: -135.860
Base-Backbone interact. energy: -0.736
local terms energy: -166.579707
where:
bonds (distance) C4'-P energy: -29.625
bonds (distance) P-C4' energy: -36.807
flat angles C4'-P-C4' energy: -39.891
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -34.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -495.487141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.487141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.487141 (E_RNA)
where:
Base-Base interactions energy: -322.940
where: short stacking energy: -145.254
Base-Backbone interact. energy: -0.953
local terms energy: -171.594297
where:
bonds (distance) C4'-P energy: -27.571
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -41.414
flat angles P-C4'-P energy: -26.359
tors. eta vs tors. theta energy: -41.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -370.619358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.619358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.619358 (E_RNA)
where:
Base-Base interactions energy: -237.820
where: short stacking energy: -122.665
Base-Backbone interact. energy: 1.119
local terms energy: -133.918770
where:
bonds (distance) C4'-P energy: -33.359
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -345.198955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.198955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.198955 (E_RNA)
where:
Base-Base interactions energy: -210.671
where: short stacking energy: -102.432
Base-Backbone interact. energy: 0.409
local terms energy: -134.936960
where:
bonds (distance) C4'-P energy: -39.746
bonds (distance) P-C4' energy: -34.447
flat angles C4'-P-C4' energy: -30.960
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -14.288
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: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -269.817170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.817170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.817170 (E_RNA)
where:
Base-Base interactions energy: -153.484
where: short stacking energy: -91.500
Base-Backbone interact. energy: 0.001
local terms energy: -116.334403
where:
bonds (distance) C4'-P energy: -32.823
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -35.626
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -173.542756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.542756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.542756 (E_RNA)
where:
Base-Base interactions energy: -65.588
where: short stacking energy: -58.993
Base-Backbone interact. energy: -0.412
local terms energy: -107.542875
where:
bonds (distance) C4'-P energy: -31.003
bonds (distance) P-C4' energy: -31.946
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: 4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -665.596372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.596372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.596372 (E_RNA)
where:
Base-Base interactions energy: -453.845
where: short stacking energy: -201.718
Base-Backbone interact. energy: -0.071
local terms energy: -211.680037
where:
bonds (distance) C4'-P energy: -37.259
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -42.995
flat angles P-C4'-P energy: -31.034
tors. eta vs tors. theta energy: -61.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -624.607850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.607850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.607850 (E_RNA)
where:
Base-Base interactions energy: -423.106
where: short stacking energy: -177.997
Base-Backbone interact. energy: -1.846
local terms energy: -199.655798
where:
bonds (distance) C4'-P energy: -37.261
bonds (distance) P-C4' energy: -42.330
flat angles C4'-P-C4' energy: -43.064
flat angles P-C4'-P energy: -27.256
tors. eta vs tors. theta energy: -49.746
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: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -609.350652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.350652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.350652 (E_RNA)
where:
Base-Base interactions energy: -420.057
where: short stacking energy: -186.861
Base-Backbone interact. energy: -0.503
local terms energy: -188.789930
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -36.846
flat angles C4'-P-C4' energy: -44.018
flat angles P-C4'-P energy: -20.943
tors. eta vs tors. theta energy: -51.850
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: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -555.163997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.163997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.163997 (E_RNA)
where:
Base-Base interactions energy: -365.456
where: short stacking energy: -167.238
Base-Backbone interact. energy: -0.305
local terms energy: -189.403066
where:
bonds (distance) C4'-P energy: -39.775
bonds (distance) P-C4' energy: -33.864
flat angles C4'-P-C4' energy: -43.181
flat angles P-C4'-P energy: -28.577
tors. eta vs tors. theta energy: -44.006
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: 170
Temperature: 1.100000
Total energy: -507.947818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.947818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.947818 (E_RNA)
where:
Base-Base interactions energy: -321.867
where: short stacking energy: -134.727
Base-Backbone interact. energy: -0.222
local terms energy: -185.858906
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -38.031
flat angles C4'-P-C4' energy: -41.099
flat angles P-C4'-P energy: -25.813
tors. eta vs tors. theta energy: -46.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -518.185387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.185387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.185387 (E_RNA)
where:
Base-Base interactions energy: -354.425
where: short stacking energy: -139.152
Base-Backbone interact. energy: -0.641
local terms energy: -163.119637
where:
bonds (distance) C4'-P energy: -26.528
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -34.932
flat angles P-C4'-P energy: -31.126
tors. eta vs tors. theta energy: -38.961
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: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -382.820340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.820340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.820340 (E_RNA)
where:
Base-Base interactions energy: -241.192
where: short stacking energy: -114.758
Base-Backbone interact. energy: 1.849
local terms energy: -143.477063
where:
bonds (distance) C4'-P energy: -27.334
bonds (distance) P-C4' energy: -36.152
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: -24.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -385.027920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.027920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.027920 (E_RNA)
where:
Base-Base interactions energy: -250.061
where: short stacking energy: -102.023
Base-Backbone interact. energy: -0.836
local terms energy: -134.130961
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -29.590
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -19.505
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: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -273.819113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.819113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.819113 (E_RNA)
where:
Base-Base interactions energy: -143.449
where: short stacking energy: -84.842
Base-Backbone interact. energy: -1.203
local terms energy: -129.166583
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -31.470
flat angles C4'-P-C4' energy: -30.983
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -182.978135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.978135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.978135 (E_RNA)
where:
Base-Base interactions energy: -67.880
where: short stacking energy: -58.112
Base-Backbone interact. energy: -1.114
local terms energy: -113.983902
where:
bonds (distance) C4'-P energy: -30.181
bonds (distance) P-C4' energy: -28.647
flat angles C4'-P-C4' energy: -28.051
flat angles P-C4'-P energy: -28.727
tors. eta vs tors. theta energy: 1.622
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: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -659.092545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.092545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.092545 (E_RNA)
where:
Base-Base interactions energy: -454.097
where: short stacking energy: -199.394
Base-Backbone interact. energy: -0.536
local terms energy: -204.458730
where:
bonds (distance) C4'-P energy: -36.352
bonds (distance) P-C4' energy: -35.137
flat angles C4'-P-C4' energy: -46.961
flat angles P-C4'-P energy: -27.333
tors. eta vs tors. theta energy: -58.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -626.584939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.584939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.584939 (E_RNA)
where:
Base-Base interactions energy: -426.571
where: short stacking energy: -177.037
Base-Backbone interact. energy: -2.200
local terms energy: -197.813556
where:
bonds (distance) C4'-P energy: -33.504
bonds (distance) P-C4' energy: -41.014
flat angles C4'-P-C4' energy: -40.640
flat angles P-C4'-P energy: -30.610
tors. eta vs tors. theta energy: -52.047
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: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -599.709138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.709138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.709138 (E_RNA)
where:
Base-Base interactions energy: -416.080
where: short stacking energy: -167.301
Base-Backbone interact. energy: -1.722
local terms energy: -181.906992
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -39.303
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -51.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -559.986492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.986492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.986492 (E_RNA)
where:
Base-Base interactions energy: -386.445
where: short stacking energy: -159.191
Base-Backbone interact. energy: -0.139
local terms energy: -173.402330
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -30.171
flat angles C4'-P-C4' energy: -44.255
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -45.403
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: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -529.295092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.295092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.295092 (E_RNA)
where:
Base-Base interactions energy: -339.233
where: short stacking energy: -150.922
Base-Backbone interact. energy: -0.089
local terms energy: -189.972190
where:
bonds (distance) C4'-P energy: -42.102
bonds (distance) P-C4' energy: -42.989
flat angles C4'-P-C4' energy: -36.461
flat angles P-C4'-P energy: -24.311
tors. eta vs tors. theta energy: -44.108
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: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -521.028830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.028830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.028830 (E_RNA)
where:
Base-Base interactions energy: -365.734
where: short stacking energy: -157.318
Base-Backbone interact. energy: -1.101
local terms energy: -154.193826
where:
bonds (distance) C4'-P energy: -26.035
bonds (distance) P-C4' energy: -31.738
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -26.827
tors. eta vs tors. theta energy: -40.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -389.000922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.000922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.000922 (E_RNA)
where:
Base-Base interactions energy: -226.127
where: short stacking energy: -117.928
Base-Backbone interact. energy: -1.000
local terms energy: -161.873878
where:
bonds (distance) C4'-P energy: -36.634
bonds (distance) P-C4' energy: -39.219
flat angles C4'-P-C4' energy: -36.259
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -29.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -434.601029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.601029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.601029 (E_RNA)
where:
Base-Base interactions energy: -275.026
where: short stacking energy: -122.198
Base-Backbone interact. energy: -1.655
local terms energy: -157.920439
where:
bonds (distance) C4'-P energy: -29.326
bonds (distance) P-C4' energy: -32.692
flat angles C4'-P-C4' energy: -39.176
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -36.550
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: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -257.518958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.518958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.518958 (E_RNA)
where:
Base-Base interactions energy: -128.238
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.740
local terms energy: -128.541723
where:
bonds (distance) C4'-P energy: -33.504
bonds (distance) P-C4' energy: -36.915
flat angles C4'-P-C4' energy: -28.031
flat angles P-C4'-P energy: -26.371
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: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -170.494863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.494863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.494863 (E_RNA)
where:
Base-Base interactions energy: -63.409
where: short stacking energy: -46.423
Base-Backbone interact. energy: -0.627
local terms energy: -106.458438
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -37.166
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: 2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -670.179700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.179700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.179700 (E_RNA)
where:
Base-Base interactions energy: -458.076
where: short stacking energy: -200.146
Base-Backbone interact. energy: -0.177
local terms energy: -211.926089
where:
bonds (distance) C4'-P energy: -43.078
bonds (distance) P-C4' energy: -40.894
flat angles C4'-P-C4' energy: -41.771
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -64.322
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: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -612.256592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.256592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.256592 (E_RNA)
where:
Base-Base interactions energy: -423.114
where: short stacking energy: -190.674
Base-Backbone interact. energy: -3.465
local terms energy: -185.678406
where:
bonds (distance) C4'-P energy: -33.560
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -38.388
flat angles P-C4'-P energy: -29.448
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: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -614.780881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.780881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.780881 (E_RNA)
where:
Base-Base interactions energy: -420.351
where: short stacking energy: -183.829
Base-Backbone interact. energy: -0.098
local terms energy: -194.332030
where:
bonds (distance) C4'-P energy: -33.731
bonds (distance) P-C4' energy: -43.782
flat angles C4'-P-C4' energy: -38.031
flat angles P-C4'-P energy: -28.561
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: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -549.644637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.644637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.644637 (E_RNA)
where:
Base-Base interactions energy: -364.391
where: short stacking energy: -155.947
Base-Backbone interact. energy: -0.593
local terms energy: -184.660945
where:
bonds (distance) C4'-P energy: -38.847
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -40.579
flat angles P-C4'-P energy: -30.023
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: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -513.247454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.247454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.247454 (E_RNA)
where:
Base-Base interactions energy: -331.183
where: short stacking energy: -159.519
Base-Backbone interact. energy: -1.041
local terms energy: -181.023736
where:
bonds (distance) C4'-P energy: -32.066
bonds (distance) P-C4' energy: -39.820
flat angles C4'-P-C4' energy: -41.238
flat angles P-C4'-P energy: -23.753
tors. eta vs tors. theta energy: -44.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -503.928979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.928979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.928979 (E_RNA)
where:
Base-Base interactions energy: -346.687
where: short stacking energy: -144.987
Base-Backbone interact. energy: -1.677
local terms energy: -155.564271
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -36.022
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -33.825
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: 172
Temperature: 1.200000
Total energy: -437.828651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.828651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.828651 (E_RNA)
where:
Base-Base interactions energy: -282.945
where: short stacking energy: -120.137
Base-Backbone interact. energy: -0.788
local terms energy: -154.096436
where:
bonds (distance) C4'-P energy: -30.589
bonds (distance) P-C4' energy: -37.282
flat angles C4'-P-C4' energy: -35.776
flat angles P-C4'-P energy: -29.628
tors. eta vs tors. theta energy: -20.821
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: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -401.525801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.525801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.525801 (E_RNA)
where:
Base-Base interactions energy: -259.129
where: short stacking energy: -118.502
Base-Backbone interact. energy: -0.083
local terms energy: -142.313160
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -30.495
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -23.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -254.342592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.342592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.342592 (E_RNA)
where:
Base-Base interactions energy: -136.756
where: short stacking energy: -78.089
Base-Backbone interact. energy: -2.472
local terms energy: -115.114276
where:
bonds (distance) C4'-P energy: -33.444
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -170.921662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.921662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.921662 (E_RNA)
where:
Base-Base interactions energy: -47.163
where: short stacking energy: -41.141
Base-Backbone interact. energy: -0.831
local terms energy: -122.927052
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -31.225
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: 2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -664.268542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.268542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.268542 (E_RNA)
where:
Base-Base interactions energy: -447.989
where: short stacking energy: -201.415
Base-Backbone interact. energy: -0.263
local terms energy: -216.017209
where:
bonds (distance) C4'-P energy: -41.280
bonds (distance) P-C4' energy: -39.541
flat angles C4'-P-C4' energy: -45.878
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -63.116
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: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -610.786878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.786878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.786878 (E_RNA)
where:
Base-Base interactions energy: -421.041
where: short stacking energy: -167.047
Base-Backbone interact. energy: -1.050
local terms energy: -188.695804
where:
bonds (distance) C4'-P energy: -35.719
bonds (distance) P-C4' energy: -39.137
flat angles C4'-P-C4' energy: -40.853
flat angles P-C4'-P energy: -24.269
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: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -591.873368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.873368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.873368 (E_RNA)
where:
Base-Base interactions energy: -411.097
where: short stacking energy: -170.193
Base-Backbone interact. energy: 1.628
local terms energy: -182.404512
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -33.069
flat angles C4'-P-C4' energy: -43.548
flat angles P-C4'-P energy: -25.775
tors. eta vs tors. theta energy: -52.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -542.703305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.703305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.703305 (E_RNA)
where:
Base-Base interactions energy: -355.747
where: short stacking energy: -161.917
Base-Backbone interact. energy: -0.289
local terms energy: -186.667717
where:
bonds (distance) C4'-P energy: -40.150
bonds (distance) P-C4' energy: -31.042
flat angles C4'-P-C4' energy: -37.406
flat angles P-C4'-P energy: -27.176
tors. eta vs tors. theta energy: -50.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -494.702076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.702076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.702076 (E_RNA)
where:
Base-Base interactions energy: -323.076
where: short stacking energy: -140.985
Base-Backbone interact. energy: -0.189
local terms energy: -171.436852
where:
bonds (distance) C4'-P energy: -38.494
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -34.076
flat angles P-C4'-P energy: -34.578
tors. eta vs tors. theta energy: -29.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -502.805197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.805197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.805197 (E_RNA)
where:
Base-Base interactions energy: -335.771
where: short stacking energy: -141.572
Base-Backbone interact. energy: -0.691
local terms energy: -166.343238
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -37.064
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -23.967
tors. eta vs tors. theta energy: -37.898
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: 173
Temperature: 1.200000
Total energy: -437.063046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.063046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.063046 (E_RNA)
where:
Base-Base interactions energy: -269.329
where: short stacking energy: -127.316
Base-Backbone interact. energy: -1.566
local terms energy: -166.168948
where:
bonds (distance) C4'-P energy: -34.769
bonds (distance) P-C4' energy: -34.351
flat angles C4'-P-C4' energy: -43.931
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -31.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -365.251278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.251278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.251278 (E_RNA)
where:
Base-Base interactions energy: -220.520
where: short stacking energy: -103.184
Base-Backbone interact. energy: -1.949
local terms energy: -142.782348
where:
bonds (distance) C4'-P energy: -26.472
bonds (distance) P-C4' energy: -39.880
flat angles C4'-P-C4' energy: -35.901
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -22.399
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: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -262.547538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.547538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.547538 (E_RNA)
where:
Base-Base interactions energy: -127.699
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.029
local terms energy: -134.819277
where:
bonds (distance) C4'-P energy: -38.066
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -35.968
flat angles P-C4'-P energy: -20.673
tors. eta vs tors. theta energy: -4.040
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: 10, replica: 2
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -183.754558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.754558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.754558 (E_RNA)
where:
Base-Base interactions energy: -62.225
where: short stacking energy: -50.163
Base-Backbone interact. energy: 0.022
local terms energy: -121.551395
where:
bonds (distance) C4'-P energy: -31.750
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -38.419
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -655.932241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.932241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.932241 (E_RNA)
where:
Base-Base interactions energy: -446.741
where: short stacking energy: -176.093
Base-Backbone interact. energy: -0.408
local terms energy: -208.782816
where:
bonds (distance) C4'-P energy: -38.277
bonds (distance) P-C4' energy: -39.811
flat angles C4'-P-C4' energy: -39.165
flat angles P-C4'-P energy: -25.929
tors. eta vs tors. theta energy: -65.601
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: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -622.627066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.627066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.627066 (E_RNA)
where:
Base-Base interactions energy: -415.699
where: short stacking energy: -182.640
Base-Backbone interact. energy: -2.429
local terms energy: -204.498577
where:
bonds (distance) C4'-P energy: -39.788
bonds (distance) P-C4' energy: -39.571
flat angles C4'-P-C4' energy: -43.216
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -53.514
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: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -594.529999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.529999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.529999 (E_RNA)
where:
Base-Base interactions energy: -406.890
where: short stacking energy: -182.013
Base-Backbone interact. energy: -0.348
local terms energy: -187.291892
where:
bonds (distance) C4'-P energy: -34.174
bonds (distance) P-C4' energy: -34.127
flat angles C4'-P-C4' energy: -42.075
flat angles P-C4'-P energy: -25.058
tors. eta vs tors. theta energy: -51.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -553.278398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.278398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.278398 (E_RNA)
where:
Base-Base interactions energy: -365.303
where: short stacking energy: -165.213
Base-Backbone interact. energy: -0.231
local terms energy: -187.744377
where:
bonds (distance) C4'-P energy: -37.436
bonds (distance) P-C4' energy: -39.089
flat angles C4'-P-C4' energy: -32.951
flat angles P-C4'-P energy: -28.722
tors. eta vs tors. theta energy: -49.546
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: 174
Temperature: 1.100000
Total energy: -527.785117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.785117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.785117 (E_RNA)
where:
Base-Base interactions energy: -344.221
where: short stacking energy: -161.419
Base-Backbone interact. energy: -0.806
local terms energy: -182.757972
where:
bonds (distance) C4'-P energy: -30.407
bonds (distance) P-C4' energy: -38.503
flat angles C4'-P-C4' energy: -45.069
flat angles P-C4'-P energy: -26.436
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: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -474.630647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.630647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.630647 (E_RNA)
where:
Base-Base interactions energy: -307.959
where: short stacking energy: -136.310
Base-Backbone interact. energy: -1.025
local terms energy: -165.645770
where:
bonds (distance) C4'-P energy: -30.035
bonds (distance) P-C4' energy: -38.363
flat angles C4'-P-C4' energy: -41.617
flat angles P-C4'-P energy: -26.581
tors. eta vs tors. theta energy: -29.050
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: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -419.067850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.067850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.067850 (E_RNA)
where:
Base-Base interactions energy: -265.090
where: short stacking energy: -118.027
Base-Backbone interact. energy: 2.423
local terms energy: -156.400237
where:
bonds (distance) C4'-P energy: -29.048
bonds (distance) P-C4' energy: -40.112
flat angles C4'-P-C4' energy: -36.678
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: -26.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -343.785046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.785046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.785046 (E_RNA)
where:
Base-Base interactions energy: -224.155
where: short stacking energy: -96.087
Base-Backbone interact. energy: 1.387
local terms energy: -121.017101
where:
bonds (distance) C4'-P energy: -27.551
bonds (distance) P-C4' energy: -39.198
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -258.718228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.718228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.718228 (E_RNA)
where:
Base-Base interactions energy: -141.222
where: short stacking energy: -79.141
Base-Backbone interact. energy: 0.633
local terms energy: -118.129047
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -32.154
flat angles P-C4'-P energy: -24.561
tors. eta vs tors. theta energy: -10.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -170.707801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.707801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.707801 (E_RNA)
where:
Base-Base interactions energy: -78.366
where: short stacking energy: -52.130
Base-Backbone interact. energy: -0.138
local terms energy: -92.203342
where:
bonds (distance) C4'-P energy: -34.310
bonds (distance) P-C4' energy: -28.411
flat angles C4'-P-C4' energy: -29.122
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: 11.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -636.143446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.143446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.143446 (E_RNA)
where:
Base-Base interactions energy: -428.741
where: short stacking energy: -189.944
Base-Backbone interact. energy: -0.572
local terms energy: -206.830758
where:
bonds (distance) C4'-P energy: -37.658
bonds (distance) P-C4' energy: -35.818
flat angles C4'-P-C4' energy: -50.869
flat angles P-C4'-P energy: -27.858
tors. eta vs tors. theta energy: -54.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -614.667678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.667678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.667678 (E_RNA)
where:
Base-Base interactions energy: -414.457
where: short stacking energy: -181.337
Base-Backbone interact. energy: -1.562
local terms energy: -198.648509
where:
bonds (distance) C4'-P energy: -37.389
bonds (distance) P-C4' energy: -43.841
flat angles C4'-P-C4' energy: -43.776
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -48.365
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: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -606.912544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.912544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.912544 (E_RNA)
where:
Base-Base interactions energy: -411.390
where: short stacking energy: -184.262
Base-Backbone interact. energy: -1.378
local terms energy: -194.144889
where:
bonds (distance) C4'-P energy: -33.369
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -37.486
flat angles P-C4'-P energy: -30.782
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: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -551.682820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.682820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.682820 (E_RNA)
where:
Base-Base interactions energy: -366.829
where: short stacking energy: -173.323
Base-Backbone interact. energy: -0.097
local terms energy: -184.756707
where:
bonds (distance) C4'-P energy: -34.417
bonds (distance) P-C4' energy: -33.029
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -25.119
tors. eta vs tors. theta energy: -52.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -525.598071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.598071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.598071 (E_RNA)
where:
Base-Base interactions energy: -360.339
where: short stacking energy: -165.318
Base-Backbone interact. energy: -0.448
local terms energy: -164.811558
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -31.139
flat angles C4'-P-C4' energy: -37.217
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -45.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -508.032428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.032428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.032428 (E_RNA)
where:
Base-Base interactions energy: -333.332
where: short stacking energy: -155.628
Base-Backbone interact. energy: -1.049
local terms energy: -173.651770
where:
bonds (distance) C4'-P energy: -31.301
bonds (distance) P-C4' energy: -40.974
flat angles C4'-P-C4' energy: -39.375
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -38.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -419.809161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.809161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.809161 (E_RNA)
where:
Base-Base interactions energy: -263.687
where: short stacking energy: -118.757
Base-Backbone interact. energy: 3.088
local terms energy: -159.209351
where:
bonds (distance) C4'-P energy: -34.956
bonds (distance) P-C4' energy: -39.900
flat angles C4'-P-C4' energy: -35.050
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -32.707
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: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -285.932345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.932345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.932345 (E_RNA)
where:
Base-Base interactions energy: -166.157
where: short stacking energy: -70.273
Base-Backbone interact. energy: 3.759
local terms energy: -123.534734
where:
bonds (distance) C4'-P energy: -33.888
bonds (distance) P-C4' energy: -42.737
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -20.968
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: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -254.701211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.701211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.701211 (E_RNA)
where:
Base-Base interactions energy: -145.153
where: short stacking energy: -81.703
Base-Backbone interact. energy: -0.658
local terms energy: -108.889875
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -28.677
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -165.208564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.208564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.208564 (E_RNA)
where:
Base-Base interactions energy: -80.912
where: short stacking energy: -60.236
Base-Backbone interact. energy: -2.351
local terms energy: -81.945905
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -630.408837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.408837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.408837 (E_RNA)
where:
Base-Base interactions energy: -432.214
where: short stacking energy: -191.690
Base-Backbone interact. energy: 0.445
local terms energy: -198.639432
where:
bonds (distance) C4'-P energy: -36.878
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -40.688
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -57.344
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: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -620.585787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.585787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.585787 (E_RNA)
where:
Base-Base interactions energy: -419.607
where: short stacking energy: -172.698
Base-Backbone interact. energy: -0.654
local terms energy: -200.324323
where:
bonds (distance) C4'-P energy: -30.464
bonds (distance) P-C4' energy: -41.354
flat angles C4'-P-C4' energy: -41.954
flat angles P-C4'-P energy: -31.819
tors. eta vs tors. theta energy: -54.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -606.460030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.460030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.460030 (E_RNA)
where:
Base-Base interactions energy: -409.125
where: short stacking energy: -161.988
Base-Backbone interact. energy: 0.970
local terms energy: -198.304929
where:
bonds (distance) C4'-P energy: -37.169
bonds (distance) P-C4' energy: -41.324
flat angles C4'-P-C4' energy: -40.574
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -51.733
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: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -540.831091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.831091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.831091 (E_RNA)
where:
Base-Base interactions energy: -355.019
where: short stacking energy: -154.057
Base-Backbone interact. energy: 0.041
local terms energy: -185.852918
where:
bonds (distance) C4'-P energy: -33.917
bonds (distance) P-C4' energy: -37.752
flat angles C4'-P-C4' energy: -43.720
flat angles P-C4'-P energy: -25.929
tors. eta vs tors. theta energy: -44.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -532.477165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.477165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.477165 (E_RNA)
where:
Base-Base interactions energy: -357.716
where: short stacking energy: -149.511
Base-Backbone interact. energy: -1.330
local terms energy: -173.431398
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -38.337
flat angles C4'-P-C4' energy: -38.973
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: -43.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -490.143054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.143054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.143054 (E_RNA)
where:
Base-Base interactions energy: -323.932
where: short stacking energy: -147.459
Base-Backbone interact. energy: -0.139
local terms energy: -166.071910
where:
bonds (distance) C4'-P energy: -31.856
bonds (distance) P-C4' energy: -33.128
flat angles C4'-P-C4' energy: -37.467
flat angles P-C4'-P energy: -27.761
tors. eta vs tors. theta energy: -35.860
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: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -412.441532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.441532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.441532 (E_RNA)
where:
Base-Base interactions energy: -249.731
where: short stacking energy: -106.851
Base-Backbone interact. energy: -0.386
local terms energy: -162.324607
where:
bonds (distance) C4'-P energy: -41.295
bonds (distance) P-C4' energy: -40.706
flat angles C4'-P-C4' energy: -39.185
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -17.745
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: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -275.863912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.863912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.863912 (E_RNA)
where:
Base-Base interactions energy: -158.176
where: short stacking energy: -82.164
Base-Backbone interact. energy: -1.237
local terms energy: -116.451023
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -33.144
flat angles C4'-P-C4' energy: -26.261
flat angles P-C4'-P energy: -24.173
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -262.214333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.214333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.214333 (E_RNA)
where:
Base-Base interactions energy: -134.285
where: short stacking energy: -61.649
Base-Backbone interact. energy: 0.753
local terms energy: -128.681988
where:
bonds (distance) C4'-P energy: -40.536
bonds (distance) P-C4' energy: -36.929
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: -4.922
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: 2
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -166.301499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.301499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.301499 (E_RNA)
where:
Base-Base interactions energy: -43.813
where: short stacking energy: -41.862
Base-Backbone interact. energy: -1.740
local terms energy: -120.748863
where:
bonds (distance) C4'-P energy: -34.993
bonds (distance) P-C4' energy: -31.093
flat angles C4'-P-C4' energy: -34.879
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: 0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -655.257089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.257089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.257089 (E_RNA)
where:
Base-Base interactions energy: -446.208
where: short stacking energy: -196.113
Base-Backbone interact. energy: -0.862
local terms energy: -208.187534
where:
bonds (distance) C4'-P energy: -40.335
bonds (distance) P-C4' energy: -36.222
flat angles C4'-P-C4' energy: -40.128
flat angles P-C4'-P energy: -27.847
tors. eta vs tors. theta energy: -63.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -626.543339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.543339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.543339 (E_RNA)
where:
Base-Base interactions energy: -429.082
where: short stacking energy: -183.227
Base-Backbone interact. energy: -0.887
local terms energy: -196.574409
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -42.536
flat angles C4'-P-C4' energy: -45.150
flat angles P-C4'-P energy: -26.714
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: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -612.254275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.254275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.254275 (E_RNA)
where:
Base-Base interactions energy: -417.351
where: short stacking energy: -177.572
Base-Backbone interact. energy: -1.745
local terms energy: -193.158474
where:
bonds (distance) C4'-P energy: -35.480
bonds (distance) P-C4' energy: -36.106
flat angles C4'-P-C4' energy: -43.312
flat angles P-C4'-P energy: -27.929
tors. eta vs tors. theta energy: -50.331
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: 177
Temperature: 1.050000
Total energy: -553.210016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.210016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.210016 (E_RNA)
where:
Base-Base interactions energy: -370.025
where: short stacking energy: -164.742
Base-Backbone interact. energy: -0.015
local terms energy: -183.170114
where:
bonds (distance) C4'-P energy: -38.659
bonds (distance) P-C4' energy: -33.652
flat angles C4'-P-C4' energy: -39.625
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -47.451
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: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -507.774378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.774378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.774378 (E_RNA)
where:
Base-Base interactions energy: -321.528
where: short stacking energy: -145.205
Base-Backbone interact. energy: -1.182
local terms energy: -185.064724
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -42.649
flat angles C4'-P-C4' energy: -42.596
flat angles P-C4'-P energy: -31.921
tors. eta vs tors. theta energy: -36.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -478.828126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.828126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.828126 (E_RNA)
where:
Base-Base interactions energy: -310.966
where: short stacking energy: -130.953
Base-Backbone interact. energy: -0.447
local terms energy: -167.414692
where:
bonds (distance) C4'-P energy: -28.860
bonds (distance) P-C4' energy: -40.697
flat angles C4'-P-C4' energy: -41.262
flat angles P-C4'-P energy: -23.701
tors. eta vs tors. theta energy: -32.895
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: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -416.926438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.926438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.926438 (E_RNA)
where:
Base-Base interactions energy: -274.243
where: short stacking energy: -122.822
Base-Backbone interact. energy: -1.785
local terms energy: -140.898397
where:
bonds (distance) C4'-P energy: -33.527
bonds (distance) P-C4' energy: -32.187
flat angles C4'-P-C4' energy: -36.988
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -23.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -295.044507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.044507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.044507 (E_RNA)
where:
Base-Base interactions energy: -163.610
where: short stacking energy: -74.235
Base-Backbone interact. energy: -0.547
local terms energy: -130.887175
where:
bonds (distance) C4'-P energy: -34.643
bonds (distance) P-C4' energy: -36.104
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -25.126
tors. eta vs tors. theta energy: -10.826
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: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -272.537028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.537028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.537028 (E_RNA)
where:
Base-Base interactions energy: -142.974
where: short stacking energy: -67.024
Base-Backbone interact. energy: 0.428
local terms energy: -129.991122
where:
bonds (distance) C4'-P energy: -39.068
bonds (distance) P-C4' energy: -32.878
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -4.535
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: 2
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -183.190421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.190421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.190421 (E_RNA)
where:
Base-Base interactions energy: -71.633
where: short stacking energy: -43.924
Base-Backbone interact. energy: 1.207
local terms energy: -112.763536
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -30.236
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -24.915
tors. eta vs tors. theta energy: 6.642
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: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -661.626771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.626771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.626771 (E_RNA)
where:
Base-Base interactions energy: -448.214
where: short stacking energy: -205.513
Base-Backbone interact. energy: -0.443
local terms energy: -212.969808
where:
bonds (distance) C4'-P energy: -45.807
bonds (distance) P-C4' energy: -43.268
flat angles C4'-P-C4' energy: -40.367
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -63.865
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: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -626.252602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.252602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.252602 (E_RNA)
where:
Base-Base interactions energy: -430.611
where: short stacking energy: -181.820
Base-Backbone interact. energy: 0.571
local terms energy: -196.212868
where:
bonds (distance) C4'-P energy: -32.182
bonds (distance) P-C4' energy: -39.033
flat angles C4'-P-C4' energy: -39.729
flat angles P-C4'-P energy: -29.282
tors. eta vs tors. theta energy: -55.987
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: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -568.403362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.403362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.403362 (E_RNA)
where:
Base-Base interactions energy: -388.604
where: short stacking energy: -173.189
Base-Backbone interact. energy: -0.170
local terms energy: -179.629790
where:
bonds (distance) C4'-P energy: -35.694
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -37.770
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -53.221
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: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -573.596453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.596453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.596453 (E_RNA)
where:
Base-Base interactions energy: -400.730
where: short stacking energy: -157.137
Base-Backbone interact. energy: 1.113
local terms energy: -173.979213
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -35.367
flat angles P-C4'-P energy: -29.824
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: 5, replica: 9
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -513.793676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.793676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.793676 (E_RNA)
where:
Base-Base interactions energy: -326.320
where: short stacking energy: -141.259
Base-Backbone interact. energy: -0.699
local terms energy: -186.774238
where:
bonds (distance) C4'-P energy: -35.371
bonds (distance) P-C4' energy: -40.494
flat angles C4'-P-C4' energy: -41.485
flat angles P-C4'-P energy: -30.392
tors. eta vs tors. theta energy: -39.033
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: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -457.478264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.478264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.478264 (E_RNA)
where:
Base-Base interactions energy: -300.990
where: short stacking energy: -142.934
Base-Backbone interact. energy: 0.633
local terms energy: -157.121965
where:
bonds (distance) C4'-P energy: -33.669
bonds (distance) P-C4' energy: -39.124
flat angles C4'-P-C4' energy: -34.695
flat angles P-C4'-P energy: -24.745
tors. eta vs tors. theta energy: -24.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -428.700272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.700272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.700272 (E_RNA)
where:
Base-Base interactions energy: -279.697
where: short stacking energy: -114.988
Base-Backbone interact. energy: 0.402
local terms energy: -149.405340
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -40.341
flat angles C4'-P-C4' energy: -37.659
flat angles P-C4'-P energy: -23.726
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: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -275.530809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.530809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.530809 (E_RNA)
where:
Base-Base interactions energy: -155.709
where: short stacking energy: -81.378
Base-Backbone interact. energy: -1.081
local terms energy: -118.740403
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -27.359
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -280.467236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.467236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.467236 (E_RNA)
where:
Base-Base interactions energy: -145.812
where: short stacking energy: -78.889
Base-Backbone interact. energy: -1.130
local terms energy: -133.524958
where:
bonds (distance) C4'-P energy: -40.676
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -31.967
flat angles P-C4'-P energy: -25.658
tors. eta vs tors. theta energy: -9.293
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: 2
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -170.125686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.125686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.125686 (E_RNA)
where:
Base-Base interactions energy: -68.467
where: short stacking energy: -53.884
Base-Backbone interact. energy: 3.230
local terms energy: -104.888758
where:
bonds (distance) C4'-P energy: -26.629
bonds (distance) P-C4' energy: -31.109
flat angles C4'-P-C4' energy: -28.766
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -2.285
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: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -657.484264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.484264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.484264 (E_RNA)
where:
Base-Base interactions energy: -451.243
where: short stacking energy: -202.469
Base-Backbone interact. energy: -0.020
local terms energy: -206.221334
where:
bonds (distance) C4'-P energy: -40.872
bonds (distance) P-C4' energy: -31.743
flat angles C4'-P-C4' energy: -46.827
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -60.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -635.653892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.653892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.653892 (E_RNA)
where:
Base-Base interactions energy: -432.402
where: short stacking energy: -192.724
Base-Backbone interact. energy: -0.501
local terms energy: -202.751347
where:
bonds (distance) C4'-P energy: -35.853
bonds (distance) P-C4' energy: -38.789
flat angles C4'-P-C4' energy: -42.240
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -56.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -562.053577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.053577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.053577 (E_RNA)
where:
Base-Base interactions energy: -365.843
where: short stacking energy: -162.141
Base-Backbone interact. energy: -1.513
local terms energy: -194.697993
where:
bonds (distance) C4'-P energy: -30.917
bonds (distance) P-C4' energy: -36.990
flat angles C4'-P-C4' energy: -46.540
flat angles P-C4'-P energy: -32.446
tors. eta vs tors. theta energy: -47.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -598.302228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.302228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.302228 (E_RNA)
where:
Base-Base interactions energy: -415.725
where: short stacking energy: -160.408
Base-Backbone interact. energy: -1.590
local terms energy: -180.987507
where:
bonds (distance) C4'-P energy: -29.954
bonds (distance) P-C4' energy: -41.533
flat angles C4'-P-C4' energy: -37.413
flat angles P-C4'-P energy: -27.038
tors. eta vs tors. theta energy: -45.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -501.372369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.372369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.372369 (E_RNA)
where:
Base-Base interactions energy: -323.538
where: short stacking energy: -146.618
Base-Backbone interact. energy: -2.350
local terms energy: -175.484435
where:
bonds (distance) C4'-P energy: -34.307
bonds (distance) P-C4' energy: -44.102
flat angles C4'-P-C4' energy: -36.151
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -32.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -467.046183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.046183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.046183 (E_RNA)
where:
Base-Base interactions energy: -309.514
where: short stacking energy: -133.986
Base-Backbone interact. energy: -0.822
local terms energy: -156.709446
where:
bonds (distance) C4'-P energy: -30.843
bonds (distance) P-C4' energy: -34.134
flat angles C4'-P-C4' energy: -30.926
flat angles P-C4'-P energy: -27.053
tors. eta vs tors. theta energy: -33.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -431.865630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.865630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.865630 (E_RNA)
where:
Base-Base interactions energy: -280.456
where: short stacking energy: -119.480
Base-Backbone interact. energy: -0.578
local terms energy: -150.831684
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -31.270
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -23.780
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: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -330.004448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.004448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.004448 (E_RNA)
where:
Base-Base interactions energy: -182.931
where: short stacking energy: -94.768
Base-Backbone interact. energy: 0.865
local terms energy: -147.938861
where:
bonds (distance) C4'-P energy: -34.320
bonds (distance) P-C4' energy: -37.870
flat angles C4'-P-C4' energy: -34.023
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -267.315675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.315675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.315675 (E_RNA)
where:
Base-Base interactions energy: -140.360
where: short stacking energy: -76.072
Base-Backbone interact. energy: -0.256
local terms energy: -126.699187
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -36.637
flat angles C4'-P-C4' energy: -31.240
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -167.066488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.066488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.066488 (E_RNA)
where:
Base-Base interactions energy: -70.472
where: short stacking energy: -50.684
Base-Backbone interact. energy: 2.118
local terms energy: -98.713172
where:
bonds (distance) C4'-P energy: -36.541
bonds (distance) P-C4' energy: -37.677
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: 8.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -658.026952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.026952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.026952 (E_RNA)
where:
Base-Base interactions energy: -443.012
where: short stacking energy: -204.396
Base-Backbone interact. energy: -0.129
local terms energy: -214.886002
where:
bonds (distance) C4'-P energy: -43.781
bonds (distance) P-C4' energy: -42.196
flat angles C4'-P-C4' energy: -42.566
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -59.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -628.371643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.371643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.371643 (E_RNA)
where:
Base-Base interactions energy: -425.926
where: short stacking energy: -178.849
Base-Backbone interact. energy: -0.713
local terms energy: -201.732627
where:
bonds (distance) C4'-P energy: -41.203
bonds (distance) P-C4' energy: -40.619
flat angles C4'-P-C4' energy: -43.108
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -53.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -613.543935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.543935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.543935 (E_RNA)
where:
Base-Base interactions energy: -429.380
where: short stacking energy: -174.080
Base-Backbone interact. energy: -0.859
local terms energy: -183.305212
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -42.803
flat angles C4'-P-C4' energy: -41.639
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: -41.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -580.882729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.882729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.882729 (E_RNA)
where:
Base-Base interactions energy: -393.226
where: short stacking energy: -169.800
Base-Backbone interact. energy: -0.359
local terms energy: -187.298077
where:
bonds (distance) C4'-P energy: -33.402
bonds (distance) P-C4' energy: -39.442
flat angles C4'-P-C4' energy: -40.827
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -50.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -492.738138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.738138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.738138 (E_RNA)
where:
Base-Base interactions energy: -316.395
where: short stacking energy: -149.950
Base-Backbone interact. energy: -0.817
local terms energy: -175.525858
where:
bonds (distance) C4'-P energy: -35.891
bonds (distance) P-C4' energy: -39.869
flat angles C4'-P-C4' energy: -37.905
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -38.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -501.901359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.901359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.901359 (E_RNA)
where:
Base-Base interactions energy: -347.379
where: short stacking energy: -140.762
Base-Backbone interact. energy: -0.904
local terms energy: -153.617486
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -38.125
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: -34.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -449.000641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.000641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.000641 (E_RNA)
where:
Base-Base interactions energy: -295.930
where: short stacking energy: -126.393
Base-Backbone interact. energy: -0.477
local terms energy: -152.593535
where:
bonds (distance) C4'-P energy: -35.654
bonds (distance) P-C4' energy: -29.761
flat angles C4'-P-C4' energy: -34.278
flat angles P-C4'-P energy: -29.456
tors. eta vs tors. theta energy: -23.444
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: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -339.618634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.618634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.618634 (E_RNA)
where:
Base-Base interactions energy: -212.064
where: short stacking energy: -92.535
Base-Backbone interact. energy: -2.721
local terms energy: -124.834545
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -31.347
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -277.332788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.332788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.332788 (E_RNA)
where:
Base-Base interactions energy: -135.963
where: short stacking energy: -75.146
Base-Backbone interact. energy: -0.516
local terms energy: -140.853082
where:
bonds (distance) C4'-P energy: -32.098
bonds (distance) P-C4' energy: -35.451
flat angles C4'-P-C4' energy: -35.424
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: -12.978
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: 2
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -173.609089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.609089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.609089 (E_RNA)
where:
Base-Base interactions energy: -61.486
where: short stacking energy: -48.792
Base-Backbone interact. energy: -0.425
local terms energy: -111.697695
where:
bonds (distance) C4'-P energy: -31.780
bonds (distance) P-C4' energy: -37.157
flat angles C4'-P-C4' energy: -35.587
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: 6.625
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: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -664.518448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.518448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.518448 (E_RNA)
where:
Base-Base interactions energy: -453.427
where: short stacking energy: -198.981
Base-Backbone interact. energy: -1.130
local terms energy: -209.960990
where:
bonds (distance) C4'-P energy: -40.672
bonds (distance) P-C4' energy: -34.110
flat angles C4'-P-C4' energy: -44.547
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -65.224
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: 181
Temperature: 0.950000
Total energy: -624.218586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.218586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.218586 (E_RNA)
where:
Base-Base interactions energy: -436.089
where: short stacking energy: -186.716
Base-Backbone interact. energy: -0.113
local terms energy: -188.017033
where:
bonds (distance) C4'-P energy: -35.482
bonds (distance) P-C4' energy: -31.178
flat angles C4'-P-C4' energy: -40.332
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: -59.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -600.320928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.320928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.320928 (E_RNA)
where:
Base-Base interactions energy: -397.476
where: short stacking energy: -165.817
Base-Backbone interact. energy: -2.679
local terms energy: -200.165249
where:
bonds (distance) C4'-P energy: -41.756
bonds (distance) P-C4' energy: -35.907
flat angles C4'-P-C4' energy: -41.465
flat angles P-C4'-P energy: -34.222
tors. eta vs tors. theta energy: -46.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -551.046741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.046741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.046741 (E_RNA)
where:
Base-Base interactions energy: -359.598
where: short stacking energy: -162.681
Base-Backbone interact. energy: -1.439
local terms energy: -190.009742
where:
bonds (distance) C4'-P energy: -40.054
bonds (distance) P-C4' energy: -38.065
flat angles C4'-P-C4' energy: -38.722
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -51.616
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: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -483.720552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.720552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.720552 (E_RNA)
where:
Base-Base interactions energy: -311.627
where: short stacking energy: -128.250
Base-Backbone interact. energy: -0.556
local terms energy: -171.537540
where:
bonds (distance) C4'-P energy: -38.703
bonds (distance) P-C4' energy: -35.377
flat angles C4'-P-C4' energy: -35.806
flat angles P-C4'-P energy: -30.081
tors. eta vs tors. theta energy: -31.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -459.785287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.785287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.785287 (E_RNA)
where:
Base-Base interactions energy: -309.755
where: short stacking energy: -147.766
Base-Backbone interact. energy: 0.470
local terms energy: -150.500062
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -31.197
flat angles C4'-P-C4' energy: -35.096
flat angles P-C4'-P energy: -28.841
tors. eta vs tors. theta energy: -32.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -470.776357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.776357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.776357 (E_RNA)
where:
Base-Base interactions energy: -309.500
where: short stacking energy: -126.594
Base-Backbone interact. energy: -0.900
local terms energy: -160.376524
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -36.563
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -27.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -334.089705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.089705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.089705 (E_RNA)
where:
Base-Base interactions energy: -212.724
where: short stacking energy: -109.413
Base-Backbone interact. energy: -0.960
local terms energy: -120.405353
where:
bonds (distance) C4'-P energy: -29.444
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -26.422
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -17.865
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: 181
Temperature: 1.300000
Total energy: -265.537729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.537729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.537729 (E_RNA)
where:
Base-Base interactions energy: -143.260
where: short stacking energy: -78.254
Base-Backbone interact. energy: 0.506
local terms energy: -122.783737
where:
bonds (distance) C4'-P energy: -29.639
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -35.539
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -12.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -167.067524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.067524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.067524 (E_RNA)
where:
Base-Base interactions energy: -49.484
where: short stacking energy: -27.616
Base-Backbone interact. energy: -1.242
local terms energy: -116.340952
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -36.823
flat angles P-C4'-P energy: -18.930
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: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -650.281380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.281380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.281380 (E_RNA)
where:
Base-Base interactions energy: -445.925
where: short stacking energy: -180.375
Base-Backbone interact. energy: -0.797
local terms energy: -203.559251
where:
bonds (distance) C4'-P energy: -41.683
bonds (distance) P-C4' energy: -32.344
flat angles C4'-P-C4' energy: -43.796
flat angles P-C4'-P energy: -32.573
tors. eta vs tors. theta energy: -53.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -661.194729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.194729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.194729 (E_RNA)
where:
Base-Base interactions energy: -448.679
where: short stacking energy: -192.063
Base-Backbone interact. energy: 0.373
local terms energy: -212.888579
where:
bonds (distance) C4'-P energy: -36.331
bonds (distance) P-C4' energy: -40.447
flat angles C4'-P-C4' energy: -39.969
flat angles P-C4'-P energy: -35.437
tors. eta vs tors. theta energy: -60.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -566.868401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.868401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.868401 (E_RNA)
where:
Base-Base interactions energy: -375.952
where: short stacking energy: -173.100
Base-Backbone interact. energy: -0.417
local terms energy: -190.499580
where:
bonds (distance) C4'-P energy: -34.433
bonds (distance) P-C4' energy: -32.990
flat angles C4'-P-C4' energy: -41.113
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -52.099
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: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -601.836257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.836257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.836257 (E_RNA)
where:
Base-Base interactions energy: -415.836
where: short stacking energy: -160.959
Base-Backbone interact. energy: -1.730
local terms energy: -184.270013
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -39.634
flat angles C4'-P-C4' energy: -38.108
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: -50.193
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: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -480.352637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.352637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.352637 (E_RNA)
where:
Base-Base interactions energy: -313.524
where: short stacking energy: -140.662
Base-Backbone interact. energy: -0.430
local terms energy: -166.398945
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -37.128
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -30.129
tors. eta vs tors. theta energy: -31.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -459.278922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.278922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.278922 (E_RNA)
where:
Base-Base interactions energy: -290.485
where: short stacking energy: -130.040
Base-Backbone interact. energy: -2.126
local terms energy: -166.668768
where:
bonds (distance) C4'-P energy: -35.924
bonds (distance) P-C4' energy: -38.920
flat angles C4'-P-C4' energy: -35.737
flat angles P-C4'-P energy: -29.445
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -451.070664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.070664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.070664 (E_RNA)
where:
Base-Base interactions energy: -298.301
where: short stacking energy: -128.301
Base-Backbone interact. energy: -0.457
local terms energy: -152.312943
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -36.766
flat angles C4'-P-C4' energy: -38.807
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -33.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -285.363962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.363962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.363962 (E_RNA)
where:
Base-Base interactions energy: -153.114
where: short stacking energy: -89.638
Base-Backbone interact. energy: 1.653
local terms energy: -133.903352
where:
bonds (distance) C4'-P energy: -34.774
bonds (distance) P-C4' energy: -40.313
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: -10.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -271.001890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.001890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.001890 (E_RNA)
where:
Base-Base interactions energy: -142.642
where: short stacking energy: -83.160
Base-Backbone interact. energy: 0.789
local terms energy: -129.148884
where:
bonds (distance) C4'-P energy: -34.033
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -36.530
flat angles P-C4'-P energy: -24.314
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -176.299953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.299953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.299953 (E_RNA)
where:
Base-Base interactions energy: -59.995
where: short stacking energy: -52.067
Base-Backbone interact. energy: -0.994
local terms energy: -115.311564
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -34.662
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -20.916
tors. eta vs tors. theta energy: 1.810
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: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -645.451423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.451423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.451423 (E_RNA)
where:
Base-Base interactions energy: -447.561
where: short stacking energy: -187.148
Base-Backbone interact. energy: 0.150
local terms energy: -198.041180
where:
bonds (distance) C4'-P energy: -40.773
bonds (distance) P-C4' energy: -38.951
flat angles C4'-P-C4' energy: -42.524
flat angles P-C4'-P energy: -27.409
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: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -652.644616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.644616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.644616 (E_RNA)
where:
Base-Base interactions energy: -431.166
where: short stacking energy: -183.072
Base-Backbone interact. energy: -0.019
local terms energy: -221.459280
where:
bonds (distance) C4'-P energy: -45.828
bonds (distance) P-C4' energy: -39.556
flat angles C4'-P-C4' energy: -45.035
flat angles P-C4'-P energy: -31.632
tors. eta vs tors. theta energy: -59.409
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: 183
Temperature: 1.000000
Total energy: -584.637819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.637819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.637819 (E_RNA)
where:
Base-Base interactions energy: -390.193
where: short stacking energy: -188.796
Base-Backbone interact. energy: -1.990
local terms energy: -192.454816
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -36.839
flat angles C4'-P-C4' energy: -36.440
flat angles P-C4'-P energy: -28.817
tors. eta vs tors. theta energy: -53.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -596.325184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.325184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.325184 (E_RNA)
where:
Base-Base interactions energy: -425.481
where: short stacking energy: -175.820
Base-Backbone interact. energy: -2.348
local terms energy: -168.496497
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -27.933
flat angles C4'-P-C4' energy: -40.267
flat angles P-C4'-P energy: -24.363
tors. eta vs tors. theta energy: -50.958
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: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -519.295124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.295124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.295124 (E_RNA)
where:
Base-Base interactions energy: -339.933
where: short stacking energy: -140.390
Base-Backbone interact. energy: -2.848
local terms energy: -176.514281
where:
bonds (distance) C4'-P energy: -41.157
bonds (distance) P-C4' energy: -40.134
flat angles C4'-P-C4' energy: -38.347
flat angles P-C4'-P energy: -29.374
tors. eta vs tors. theta energy: -27.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -491.964800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.964800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.964800 (E_RNA)
where:
Base-Base interactions energy: -324.604
where: short stacking energy: -150.979
Base-Backbone interact. energy: -0.920
local terms energy: -166.440637
where:
bonds (distance) C4'-P energy: -39.519
bonds (distance) P-C4' energy: -31.990
flat angles C4'-P-C4' energy: -35.143
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -36.700
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: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -433.054093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.054093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.054093 (E_RNA)
where:
Base-Base interactions energy: -274.579
where: short stacking energy: -121.325
Base-Backbone interact. energy: -0.909
local terms energy: -157.566645
where:
bonds (distance) C4'-P energy: -38.363
bonds (distance) P-C4' energy: -34.172
flat angles C4'-P-C4' energy: -38.827
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -27.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -288.951456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.951456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.951456 (E_RNA)
where:
Base-Base interactions energy: -147.526
where: short stacking energy: -82.131
Base-Backbone interact. energy: -0.433
local terms energy: -140.993027
where:
bonds (distance) C4'-P energy: -32.485
bonds (distance) P-C4' energy: -39.754
flat angles C4'-P-C4' energy: -34.161
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -11.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -266.252138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.252138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.252138 (E_RNA)
where:
Base-Base interactions energy: -144.930
where: short stacking energy: -82.837
Base-Backbone interact. energy: 0.022
local terms energy: -121.344378
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -34.778
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -17.423
tors. eta vs tors. theta energy: -12.921
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: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -170.510911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.510911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.510911 (E_RNA)
where:
Base-Base interactions energy: -52.252
where: short stacking energy: -37.404
Base-Backbone interact. energy: 0.260
local terms energy: -118.518380
where:
bonds (distance) C4'-P energy: -38.562
bonds (distance) P-C4' energy: -43.523
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: 12.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -653.736462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.736462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.736462 (E_RNA)
where:
Base-Base interactions energy: -445.221
where: short stacking energy: -194.716
Base-Backbone interact. energy: -0.503
local terms energy: -208.012336
where:
bonds (distance) C4'-P energy: -35.851
bonds (distance) P-C4' energy: -40.596
flat angles C4'-P-C4' energy: -43.934
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -60.790
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: 184
Temperature: 0.950000
Total energy: -625.056199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.056199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.056199 (E_RNA)
where:
Base-Base interactions energy: -422.131
where: short stacking energy: -190.271
Base-Backbone interact. energy: -0.126
local terms energy: -202.799592
where:
bonds (distance) C4'-P energy: -35.782
bonds (distance) P-C4' energy: -41.104
flat angles C4'-P-C4' energy: -40.357
flat angles P-C4'-P energy: -29.073
tors. eta vs tors. theta energy: -56.484
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: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -562.339829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.339829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.339829 (E_RNA)
where:
Base-Base interactions energy: -368.413
where: short stacking energy: -167.556
Base-Backbone interact. energy: -0.788
local terms energy: -193.138808
where:
bonds (distance) C4'-P energy: -39.663
bonds (distance) P-C4' energy: -36.343
flat angles C4'-P-C4' energy: -42.537
flat angles P-C4'-P energy: -26.916
tors. eta vs tors. theta energy: -47.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -540.671778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.671778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.671778 (E_RNA)
where:
Base-Base interactions energy: -377.485
where: short stacking energy: -153.763
Base-Backbone interact. energy: -0.911
local terms energy: -162.275602
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -28.780
flat angles C4'-P-C4' energy: -37.319
flat angles P-C4'-P energy: -30.330
tors. eta vs tors. theta energy: -38.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -512.857426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.857426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.857426 (E_RNA)
where:
Base-Base interactions energy: -350.044
where: short stacking energy: -142.654
Base-Backbone interact. energy: -0.932
local terms energy: -161.881995
where:
bonds (distance) C4'-P energy: -38.785
bonds (distance) P-C4' energy: -34.119
flat angles C4'-P-C4' energy: -33.047
flat angles P-C4'-P energy: -25.117
tors. eta vs tors. theta energy: -30.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -475.566689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.566689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.566689 (E_RNA)
where:
Base-Base interactions energy: -306.811
where: short stacking energy: -131.771
Base-Backbone interact. energy: -0.715
local terms energy: -168.040186
where:
bonds (distance) C4'-P energy: -35.038
bonds (distance) P-C4' energy: -36.647
flat angles C4'-P-C4' energy: -35.800
flat angles P-C4'-P energy: -29.038
tors. eta vs tors. theta energy: -31.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -446.413646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.413646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.413646 (E_RNA)
where:
Base-Base interactions energy: -279.303
where: short stacking energy: -119.339
Base-Backbone interact. energy: -0.044
local terms energy: -167.066032
where:
bonds (distance) C4'-P energy: -37.058
bonds (distance) P-C4' energy: -40.083
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -24.123
tors. eta vs tors. theta energy: -32.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -300.416626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.416626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.416626 (E_RNA)
where:
Base-Base interactions energy: -162.082
where: short stacking energy: -102.541
Base-Backbone interact. energy: -1.647
local terms energy: -136.687270
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -39.594
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -264.518084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.518084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.518084 (E_RNA)
where:
Base-Base interactions energy: -142.755
where: short stacking energy: -78.427
Base-Backbone interact. energy: -1.424
local terms energy: -120.338524
where:
bonds (distance) C4'-P energy: -35.167
bonds (distance) P-C4' energy: -35.078
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -182.459043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.459043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.459043 (E_RNA)
where:
Base-Base interactions energy: -63.877
where: short stacking energy: -50.216
Base-Backbone interact. energy: -0.282
local terms energy: -118.299757
where:
bonds (distance) C4'-P energy: -36.910
bonds (distance) P-C4' energy: -38.112
flat angles C4'-P-C4' energy: -30.820
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: 2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -669.214658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.214658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.214658 (E_RNA)
where:
Base-Base interactions energy: -460.204
where: short stacking energy: -196.869
Base-Backbone interact. energy: -0.097
local terms energy: -208.913322
where:
bonds (distance) C4'-P energy: -41.201
bonds (distance) P-C4' energy: -40.093
flat angles C4'-P-C4' energy: -42.412
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -60.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -626.312146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.312146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.312146 (E_RNA)
where:
Base-Base interactions energy: -422.966
where: short stacking energy: -177.251
Base-Backbone interact. energy: -0.261
local terms energy: -203.084922
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -43.767
flat angles C4'-P-C4' energy: -45.424
flat angles P-C4'-P energy: -28.386
tors. eta vs tors. theta energy: -57.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -586.580175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.580175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.580175 (E_RNA)
where:
Base-Base interactions energy: -393.259
where: short stacking energy: -178.851
Base-Backbone interact. energy: -1.264
local terms energy: -192.057680
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -40.262
flat angles C4'-P-C4' energy: -43.350
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -51.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -541.110818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.110818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.110818 (E_RNA)
where:
Base-Base interactions energy: -352.567
where: short stacking energy: -134.392
Base-Backbone interact. energy: -0.741
local terms energy: -187.802247
where:
bonds (distance) C4'-P energy: -39.577
bonds (distance) P-C4' energy: -36.386
flat angles C4'-P-C4' energy: -37.357
flat angles P-C4'-P energy: -33.836
tors. eta vs tors. theta energy: -40.645
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: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -544.907458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.907458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.907458 (E_RNA)
where:
Base-Base interactions energy: -362.612
where: short stacking energy: -151.994
Base-Backbone interact. energy: -1.392
local terms energy: -180.903677
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -28.940
flat angles C4'-P-C4' energy: -45.423
flat angles P-C4'-P energy: -26.764
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: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -481.393364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.393364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.393364 (E_RNA)
where:
Base-Base interactions energy: -317.342
where: short stacking energy: -149.234
Base-Backbone interact. energy: 1.306
local terms energy: -165.357251
where:
bonds (distance) C4'-P energy: -36.306
bonds (distance) P-C4' energy: -28.626
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -27.405
tors. eta vs tors. theta energy: -34.998
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: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -476.600060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.600060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.600060 (E_RNA)
where:
Base-Base interactions energy: -316.148
where: short stacking energy: -139.685
Base-Backbone interact. energy: -3.172
local terms energy: -157.280087
where:
bonds (distance) C4'-P energy: -33.148
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -21.816
tors. eta vs tors. theta energy: -34.553
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: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -299.559932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.559932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.559932 (E_RNA)
where:
Base-Base interactions energy: -173.996
where: short stacking energy: -100.449
Base-Backbone interact. energy: -0.294
local terms energy: -125.269667
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -44.002
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -11.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -251.286907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.286907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.286907 (E_RNA)
where:
Base-Base interactions energy: -140.320
where: short stacking energy: -59.847
Base-Backbone interact. energy: 0.135
local terms energy: -111.101925
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -36.592
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -21.399
tors. eta vs tors. theta energy: -1.745
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: 10, replica: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -177.290854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.290854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.290854 (E_RNA)
where:
Base-Base interactions energy: -54.722
where: short stacking energy: -40.076
Base-Backbone interact. energy: -1.156
local terms energy: -121.413116
where:
bonds (distance) C4'-P energy: -35.669
bonds (distance) P-C4' energy: -41.991
flat angles C4'-P-C4' energy: -22.857
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: 0.912
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: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -675.687207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.687207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.687207 (E_RNA)
where:
Base-Base interactions energy: -451.658
where: short stacking energy: -192.298
Base-Backbone interact. energy: 0.402
local terms energy: -224.431124
where:
bonds (distance) C4'-P energy: -44.834
bonds (distance) P-C4' energy: -44.582
flat angles C4'-P-C4' energy: -45.819
flat angles P-C4'-P energy: -30.136
tors. eta vs tors. theta energy: -59.059
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: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -626.604073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.604073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.604073 (E_RNA)
where:
Base-Base interactions energy: -424.487
where: short stacking energy: -189.397
Base-Backbone interact. energy: -0.106
local terms energy: -202.011148
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -34.701
flat angles C4'-P-C4' energy: -41.293
flat angles P-C4'-P energy: -33.435
tors. eta vs tors. theta energy: -59.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -576.263745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.263745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.263745 (E_RNA)
where:
Base-Base interactions energy: -376.902
where: short stacking energy: -175.727
Base-Backbone interact. energy: -0.242
local terms energy: -199.119884
where:
bonds (distance) C4'-P energy: -34.699
bonds (distance) P-C4' energy: -38.621
flat angles C4'-P-C4' energy: -40.644
flat angles P-C4'-P energy: -30.199
tors. eta vs tors. theta energy: -54.956
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: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -572.611949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.611949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.611949 (E_RNA)
where:
Base-Base interactions energy: -377.186
where: short stacking energy: -164.182
Base-Backbone interact. energy: -1.313
local terms energy: -194.112189
where:
bonds (distance) C4'-P energy: -36.804
bonds (distance) P-C4' energy: -38.008
flat angles C4'-P-C4' energy: -38.392
flat angles P-C4'-P energy: -31.677
tors. eta vs tors. theta energy: -49.231
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: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -531.762740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.762740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.762740 (E_RNA)
where:
Base-Base interactions energy: -351.915
where: short stacking energy: -150.217
Base-Backbone interact. energy: -0.707
local terms energy: -179.141037
where:
bonds (distance) C4'-P energy: -33.135
bonds (distance) P-C4' energy: -38.472
flat angles C4'-P-C4' energy: -41.463
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -45.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -482.708437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.708437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.708437 (E_RNA)
where:
Base-Base interactions energy: -329.486
where: short stacking energy: -132.332
Base-Backbone interact. energy: 1.427
local terms energy: -154.648820
where:
bonds (distance) C4'-P energy: -29.718
bonds (distance) P-C4' energy: -27.449
flat angles C4'-P-C4' energy: -31.178
flat angles P-C4'-P energy: -31.992
tors. eta vs tors. theta energy: -34.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -463.712704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.712704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.712704 (E_RNA)
where:
Base-Base interactions energy: -295.025
where: short stacking energy: -127.220
Base-Backbone interact. energy: 0.529
local terms energy: -169.216516
where:
bonds (distance) C4'-P energy: -39.634
bonds (distance) P-C4' energy: -37.300
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -28.709
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: 186
Temperature: 1.250000
Total energy: -288.159828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.159828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.159828 (E_RNA)
where:
Base-Base interactions energy: -156.553
where: short stacking energy: -86.626
Base-Backbone interact. energy: 2.182
local terms energy: -133.789014
where:
bonds (distance) C4'-P energy: -32.822
bonds (distance) P-C4' energy: -31.302
flat angles C4'-P-C4' energy: -28.329
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -20.989
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: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -256.393232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.393232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.393232 (E_RNA)
where:
Base-Base interactions energy: -130.938
where: short stacking energy: -66.637
Base-Backbone interact. energy: 0.913
local terms energy: -126.368120
where:
bonds (distance) C4'-P energy: -37.736
bonds (distance) P-C4' energy: -38.934
flat angles C4'-P-C4' energy: -33.683
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: 0.084
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: 2
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -177.082789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.082789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.082789 (E_RNA)
where:
Base-Base interactions energy: -72.735
where: short stacking energy: -52.057
Base-Backbone interact. energy: -1.766
local terms energy: -102.581531
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -36.430
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: 9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -670.541981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.541981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.541981 (E_RNA)
where:
Base-Base interactions energy: -456.548
where: short stacking energy: -196.770
Base-Backbone interact. energy: -1.580
local terms energy: -212.414137
where:
bonds (distance) C4'-P energy: -36.953
bonds (distance) P-C4' energy: -37.577
flat angles C4'-P-C4' energy: -42.468
flat angles P-C4'-P energy: -34.656
tors. eta vs tors. theta energy: -60.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -640.861327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.861327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.861327 (E_RNA)
where:
Base-Base interactions energy: -427.787
where: short stacking energy: -177.395
Base-Backbone interact. energy: -0.146
local terms energy: -212.928191
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -41.123
flat angles C4'-P-C4' energy: -44.069
flat angles P-C4'-P energy: -29.461
tors. eta vs tors. theta energy: -55.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -572.950842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.950842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.950842 (E_RNA)
where:
Base-Base interactions energy: -373.734
where: short stacking energy: -181.346
Base-Backbone interact. energy: -0.393
local terms energy: -198.824263
where:
bonds (distance) C4'-P energy: -36.766
bonds (distance) P-C4' energy: -42.461
flat angles C4'-P-C4' energy: -43.469
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -49.929
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: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -572.916206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.916206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.916206 (E_RNA)
where:
Base-Base interactions energy: -393.693
where: short stacking energy: -175.124
Base-Backbone interact. energy: 1.858
local terms energy: -181.081378
where:
bonds (distance) C4'-P energy: -37.071
bonds (distance) P-C4' energy: -28.940
flat angles C4'-P-C4' energy: -40.377
flat angles P-C4'-P energy: -30.354
tors. eta vs tors. theta energy: -44.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -564.980188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.980188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.980188 (E_RNA)
where:
Base-Base interactions energy: -390.820
where: short stacking energy: -162.159
Base-Backbone interact. energy: 0.053
local terms energy: -174.213161
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -36.688
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: -44.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -474.151933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.151933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.151933 (E_RNA)
where:
Base-Base interactions energy: -317.473
where: short stacking energy: -138.177
Base-Backbone interact. energy: 0.134
local terms energy: -156.812911
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -28.453
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -36.486
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: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -442.066222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.066222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.066222 (E_RNA)
where:
Base-Base interactions energy: -296.158
where: short stacking energy: -123.030
Base-Backbone interact. energy: -0.860
local terms energy: -145.047526
where:
bonds (distance) C4'-P energy: -37.257
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -36.818
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -14.356
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: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -269.042814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.042814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.042814 (E_RNA)
where:
Base-Base interactions energy: -128.764
where: short stacking energy: -62.807
Base-Backbone interact. energy: -0.411
local terms energy: -139.867936
where:
bonds (distance) C4'-P energy: -36.344
bonds (distance) P-C4' energy: -42.896
flat angles C4'-P-C4' energy: -41.836
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -240.626863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.626863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.626863 (E_RNA)
where:
Base-Base interactions energy: -131.702
where: short stacking energy: -72.741
Base-Backbone interact. energy: 2.269
local terms energy: -111.193903
where:
bonds (distance) C4'-P energy: -35.752
bonds (distance) P-C4' energy: -36.850
flat angles C4'-P-C4' energy: -26.822
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: 0.516
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: 2
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -182.660966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.660966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.660966 (E_RNA)
where:
Base-Base interactions energy: -78.858
where: short stacking energy: -45.527
Base-Backbone interact. energy: -0.847
local terms energy: -102.956061
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -34.185
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: 4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -642.538844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.538844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.538844 (E_RNA)
where:
Base-Base interactions energy: -427.962
where: short stacking energy: -181.164
Base-Backbone interact. energy: -0.394
local terms energy: -214.182308
where:
bonds (distance) C4'-P energy: -33.055
bonds (distance) P-C4' energy: -43.022
flat angles C4'-P-C4' energy: -46.393
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -57.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -669.867514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.867514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.867514 (E_RNA)
where:
Base-Base interactions energy: -447.077
where: short stacking energy: -203.937
Base-Backbone interact. energy: -0.566
local terms energy: -222.224222
where:
bonds (distance) C4'-P energy: -46.516
bonds (distance) P-C4' energy: -39.664
flat angles C4'-P-C4' energy: -41.123
flat angles P-C4'-P energy: -32.164
tors. eta vs tors. theta energy: -62.758
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: 3, replica: 7
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -569.632904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.632904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.632904 (E_RNA)
where:
Base-Base interactions energy: -390.548
where: short stacking energy: -180.195
Base-Backbone interact. energy: 0.005
local terms energy: -179.090218
where:
bonds (distance) C4'-P energy: -36.225
bonds (distance) P-C4' energy: -40.085
flat angles C4'-P-C4' energy: -38.760
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -43.752
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: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -546.588268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.588268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.588268 (E_RNA)
where:
Base-Base interactions energy: -369.494
where: short stacking energy: -165.798
Base-Backbone interact. energy: -0.170
local terms energy: -176.924399
where:
bonds (distance) C4'-P energy: -40.182
bonds (distance) P-C4' energy: -34.214
flat angles C4'-P-C4' energy: -41.522
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -43.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -524.476809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.476809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.476809 (E_RNA)
where:
Base-Base interactions energy: -347.236
where: short stacking energy: -166.155
Base-Backbone interact. energy: 0.223
local terms energy: -177.463596
where:
bonds (distance) C4'-P energy: -35.180
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -36.374
flat angles P-C4'-P energy: -23.703
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: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -473.722030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.722030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.722030 (E_RNA)
where:
Base-Base interactions energy: -312.418
where: short stacking energy: -133.380
Base-Backbone interact. energy: -2.305
local terms energy: -158.999170
where:
bonds (distance) C4'-P energy: -37.403
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -23.930
flat angles P-C4'-P energy: -29.142
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: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -450.411757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.411757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.411757 (E_RNA)
where:
Base-Base interactions energy: -299.025
where: short stacking energy: -125.809
Base-Backbone interact. energy: -0.012
local terms energy: -151.375318
where:
bonds (distance) C4'-P energy: -29.616
bonds (distance) P-C4' energy: -34.142
flat angles C4'-P-C4' energy: -38.002
flat angles P-C4'-P energy: -25.869
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -271.133982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.133982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.133982 (E_RNA)
where:
Base-Base interactions energy: -146.621
where: short stacking energy: -82.503
Base-Backbone interact. energy: -0.164
local terms energy: -124.348788
where:
bonds (distance) C4'-P energy: -28.214
bonds (distance) P-C4' energy: -37.395
flat angles C4'-P-C4' energy: -34.115
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: -2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -213.215001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.215001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.215001 (E_RNA)
where:
Base-Base interactions energy: -113.493
where: short stacking energy: -61.354
Base-Backbone interact. energy: -1.199
local terms energy: -98.523167
where:
bonds (distance) C4'-P energy: -28.271
bonds (distance) P-C4' energy: -32.469
flat angles C4'-P-C4' energy: -25.697
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: 7.778
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: 2
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -183.028721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.028721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.028721 (E_RNA)
where:
Base-Base interactions energy: -64.178
where: short stacking energy: -63.699
Base-Backbone interact. energy: -0.192
local terms energy: -118.658148
where:
bonds (distance) C4'-P energy: -30.485
bonds (distance) P-C4' energy: -36.861
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -5.648
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: 189
Temperature: 0.900000
Total energy: -658.398732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.398732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.398732 (E_RNA)
where:
Base-Base interactions energy: -441.715
where: short stacking energy: -187.172
Base-Backbone interact. energy: 1.425
local terms energy: -218.108348
where:
bonds (distance) C4'-P energy: -42.176
bonds (distance) P-C4' energy: -39.307
flat angles C4'-P-C4' energy: -44.728
flat angles P-C4'-P energy: -32.677
tors. eta vs tors. theta energy: -59.221
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: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -658.967899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.967899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.967899 (E_RNA)
where:
Base-Base interactions energy: -447.118
where: short stacking energy: -199.943
Base-Backbone interact. energy: 1.340
local terms energy: -213.190378
where:
bonds (distance) C4'-P energy: -37.808
bonds (distance) P-C4' energy: -42.053
flat angles C4'-P-C4' energy: -45.093
flat angles P-C4'-P energy: -30.425
tors. eta vs tors. theta energy: -57.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -559.563086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.563086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.563086 (E_RNA)
where:
Base-Base interactions energy: -383.986
where: short stacking energy: -173.843
Base-Backbone interact. energy: -1.048
local terms energy: -174.528278
where:
bonds (distance) C4'-P energy: -35.359
bonds (distance) P-C4' energy: -38.362
flat angles C4'-P-C4' energy: -33.690
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -40.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -514.473349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.473349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.473349 (E_RNA)
where:
Base-Base interactions energy: -334.910
where: short stacking energy: -168.009
Base-Backbone interact. energy: 1.202
local terms energy: -180.765232
where:
bonds (distance) C4'-P energy: -33.619
bonds (distance) P-C4' energy: -35.505
flat angles C4'-P-C4' energy: -43.566
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -39.270
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: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -518.557219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.557219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.557219 (E_RNA)
where:
Base-Base interactions energy: -341.403
where: short stacking energy: -150.050
Base-Backbone interact. energy: -0.545
local terms energy: -176.609295
where:
bonds (distance) C4'-P energy: -37.137
bonds (distance) P-C4' energy: -35.333
flat angles C4'-P-C4' energy: -45.287
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -39.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -495.518684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.518684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.518684 (E_RNA)
where:
Base-Base interactions energy: -326.191
where: short stacking energy: -141.565
Base-Backbone interact. energy: 0.158
local terms energy: -169.485203
where:
bonds (distance) C4'-P energy: -38.823
bonds (distance) P-C4' energy: -40.689
flat angles C4'-P-C4' energy: -33.692
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -32.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -451.382180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.382180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.382180 (E_RNA)
where:
Base-Base interactions energy: -287.080
where: short stacking energy: -122.501
Base-Backbone interact. energy: 2.020
local terms energy: -166.323111
where:
bonds (distance) C4'-P energy: -36.069
bonds (distance) P-C4' energy: -35.567
flat angles C4'-P-C4' energy: -36.304
flat angles P-C4'-P energy: -28.255
tors. eta vs tors. theta energy: -30.127
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: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -279.628553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.628553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.628553 (E_RNA)
where:
Base-Base interactions energy: -152.225
where: short stacking energy: -91.230
Base-Backbone interact. energy: 2.619
local terms energy: -130.022529
where:
bonds (distance) C4'-P energy: -31.005
bonds (distance) P-C4' energy: -34.171
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -20.828
tors. eta vs tors. theta energy: -14.493
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: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -202.954818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.954818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.954818 (E_RNA)
where:
Base-Base interactions energy: -97.588
where: short stacking energy: -60.069
Base-Backbone interact. energy: 1.192
local terms energy: -106.558339
where:
bonds (distance) C4'-P energy: -31.687
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -25.099
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -2.781
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: 10, replica: 2
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -175.914020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.914020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.914020 (E_RNA)
where:
Base-Base interactions energy: -81.112
where: short stacking energy: -76.050
Base-Backbone interact. energy: -0.466
local terms energy: -94.336362
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -39.315
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: 3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -684.340647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.340647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.340647 (E_RNA)
where:
Base-Base interactions energy: -461.584
where: short stacking energy: -200.272
Base-Backbone interact. energy: -0.052
local terms energy: -222.705125
where:
bonds (distance) C4'-P energy: -42.155
bonds (distance) P-C4' energy: -40.172
flat angles C4'-P-C4' energy: -48.043
flat angles P-C4'-P energy: -30.689
tors. eta vs tors. theta energy: -61.646
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: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -640.414633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.414633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.414633 (E_RNA)
where:
Base-Base interactions energy: -441.585
where: short stacking energy: -181.424
Base-Backbone interact. energy: -0.278
local terms energy: -198.551934
where:
bonds (distance) C4'-P energy: -39.592
bonds (distance) P-C4' energy: -35.442
flat angles C4'-P-C4' energy: -42.632
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: -53.652
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: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -592.144960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.144960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.144960 (E_RNA)
where:
Base-Base interactions energy: -403.238
where: short stacking energy: -180.303
Base-Backbone interact. energy: -0.508
local terms energy: -188.398536
where:
bonds (distance) C4'-P energy: -30.794
bonds (distance) P-C4' energy: -36.710
flat angles C4'-P-C4' energy: -40.724
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -51.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -537.762885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.762885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.762885 (E_RNA)
where:
Base-Base interactions energy: -360.203
where: short stacking energy: -170.815
Base-Backbone interact. energy: -0.783
local terms energy: -176.776690
where:
bonds (distance) C4'-P energy: -26.044
bonds (distance) P-C4' energy: -34.884
flat angles C4'-P-C4' energy: -43.245
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -47.307
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: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -513.898945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.898945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.898945 (E_RNA)
where:
Base-Base interactions energy: -327.786
where: short stacking energy: -144.234
Base-Backbone interact. energy: 0.491
local terms energy: -186.604242
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -42.161
flat angles C4'-P-C4' energy: -39.117
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -42.296
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: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -461.593550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.593550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.593550 (E_RNA)
where:
Base-Base interactions energy: -292.971
where: short stacking energy: -130.299
Base-Backbone interact. energy: -0.958
local terms energy: -167.664837
where:
bonds (distance) C4'-P energy: -32.713
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -44.279
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: -25.593
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: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -440.290763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.290763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.290763 (E_RNA)
where:
Base-Base interactions energy: -286.274
where: short stacking energy: -116.304
Base-Backbone interact. energy: -4.006
local terms energy: -150.011019
where:
bonds (distance) C4'-P energy: -33.219
bonds (distance) P-C4' energy: -35.752
flat angles C4'-P-C4' energy: -31.790
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -33.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -271.933873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.933873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.933873 (E_RNA)
where:
Base-Base interactions energy: -147.067
where: short stacking energy: -87.178
Base-Backbone interact. energy: 0.839
local terms energy: -125.705167
where:
bonds (distance) C4'-P energy: -24.720
bonds (distance) P-C4' energy: -28.903
flat angles C4'-P-C4' energy: -32.633
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -13.934
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: 2
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -178.734525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.734525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.734525 (E_RNA)
where:
Base-Base interactions energy: -65.438
where: short stacking energy: -58.810
Base-Backbone interact. energy: 1.118
local terms energy: -114.414627
where:
bonds (distance) C4'-P energy: -30.701
bonds (distance) P-C4' energy: -35.521
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -2.573
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: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -182.156234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.156234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.156234 (E_RNA)
where:
Base-Base interactions energy: -66.087
where: short stacking energy: -60.180
Base-Backbone interact. energy: -0.361
local terms energy: -115.708396
where:
bonds (distance) C4'-P energy: -34.110
bonds (distance) P-C4' energy: -35.940
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -22.007
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: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -676.456982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.456982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.456982 (E_RNA)
where:
Base-Base interactions energy: -469.484
where: short stacking energy: -194.497
Base-Backbone interact. energy: -0.242
local terms energy: -206.731640
where:
bonds (distance) C4'-P energy: -36.271
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -43.775
flat angles P-C4'-P energy: -28.704
tors. eta vs tors. theta energy: -59.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -634.965923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.965923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.965923 (E_RNA)
where:
Base-Base interactions energy: -420.472
where: short stacking energy: -172.229
Base-Backbone interact. energy: -2.302
local terms energy: -212.191191
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -44.610
flat angles C4'-P-C4' energy: -49.783
flat angles P-C4'-P energy: -29.002
tors. eta vs tors. theta energy: -54.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -604.071595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.071595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.071595 (E_RNA)
where:
Base-Base interactions energy: -411.943
where: short stacking energy: -177.198
Base-Backbone interact. energy: 0.240
local terms energy: -192.368648
where:
bonds (distance) C4'-P energy: -35.628
bonds (distance) P-C4' energy: -36.265
flat angles C4'-P-C4' energy: -42.207
flat angles P-C4'-P energy: -26.701
tors. eta vs tors. theta energy: -51.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -532.648269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.648269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.648269 (E_RNA)
where:
Base-Base interactions energy: -349.257
where: short stacking energy: -155.100
Base-Backbone interact. energy: -1.948
local terms energy: -181.443393
where:
bonds (distance) C4'-P energy: -34.649
bonds (distance) P-C4' energy: -37.163
flat angles C4'-P-C4' energy: -40.622
flat angles P-C4'-P energy: -29.260
tors. eta vs tors. theta energy: -39.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -500.865699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.865699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.865699 (E_RNA)
where:
Base-Base interactions energy: -327.134
where: short stacking energy: -138.191
Base-Backbone interact. energy: -0.825
local terms energy: -172.907320
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -43.075
flat angles C4'-P-C4' energy: -36.389
flat angles P-C4'-P energy: -29.863
tors. eta vs tors. theta energy: -37.471
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: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -475.241069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.241069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.241069 (E_RNA)
where:
Base-Base interactions energy: -316.941
where: short stacking energy: -147.571
Base-Backbone interact. energy: -0.470
local terms energy: -157.829613
where:
bonds (distance) C4'-P energy: -31.168
bonds (distance) P-C4' energy: -30.294
flat angles C4'-P-C4' energy: -34.033
flat angles P-C4'-P energy: -31.761
tors. eta vs tors. theta energy: -30.573
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: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -424.395125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.395125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.395125 (E_RNA)
where:
Base-Base interactions energy: -275.707
where: short stacking energy: -116.231
Base-Backbone interact. energy: -0.018
local terms energy: -148.670078
where:
bonds (distance) C4'-P energy: -36.149
bonds (distance) P-C4' energy: -37.668
flat angles C4'-P-C4' energy: -38.026
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -274.983353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.983353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.983353 (E_RNA)
where:
Base-Base interactions energy: -136.351
where: short stacking energy: -81.757
Base-Backbone interact. energy: 0.259
local terms energy: -138.891614
where:
bonds (distance) C4'-P energy: -38.508
bonds (distance) P-C4' energy: -40.398
flat angles C4'-P-C4' energy: -33.196
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -183.128122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.128122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.128122 (E_RNA)
where:
Base-Base interactions energy: -66.346
where: short stacking energy: -54.367
Base-Backbone interact. energy: -0.474
local terms energy: -116.308273
where:
bonds (distance) C4'-P energy: -40.558
bonds (distance) P-C4' energy: -39.058
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: 3.603
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: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -169.958393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.958393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.958393 (E_RNA)
where:
Base-Base interactions energy: -54.869
where: short stacking energy: -54.869
Base-Backbone interact. energy: -0.649
local terms energy: -114.440312
where:
bonds (distance) C4'-P energy: -37.237
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -650.480390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.480390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.480390 (E_RNA)
where:
Base-Base interactions energy: -439.386
where: short stacking energy: -196.529
Base-Backbone interact. energy: -0.787
local terms energy: -210.307401
where:
bonds (distance) C4'-P energy: -39.228
bonds (distance) P-C4' energy: -41.850
flat angles C4'-P-C4' energy: -41.800
flat angles P-C4'-P energy: -32.003
tors. eta vs tors. theta energy: -55.426
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: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -638.326810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.326810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.326810 (E_RNA)
where:
Base-Base interactions energy: -441.126
where: short stacking energy: -196.502
Base-Backbone interact. energy: -0.097
local terms energy: -197.103981
where:
bonds (distance) C4'-P energy: -39.343
bonds (distance) P-C4' energy: -37.699
flat angles C4'-P-C4' energy: -38.903
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: -55.586
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: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -592.067719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.067719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.067719 (E_RNA)
where:
Base-Base interactions energy: -404.255
where: short stacking energy: -166.315
Base-Backbone interact. energy: -0.090
local terms energy: -187.722538
where:
bonds (distance) C4'-P energy: -39.895
bonds (distance) P-C4' energy: -43.446
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -51.509
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: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -529.111292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.111292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.111292 (E_RNA)
where:
Base-Base interactions energy: -346.088
where: short stacking energy: -150.351
Base-Backbone interact. energy: -1.103
local terms energy: -181.920666
where:
bonds (distance) C4'-P energy: -33.504
bonds (distance) P-C4' energy: -39.113
flat angles C4'-P-C4' energy: -38.252
flat angles P-C4'-P energy: -31.477
tors. eta vs tors. theta energy: -39.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -491.912934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.912934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.912934 (E_RNA)
where:
Base-Base interactions energy: -325.444
where: short stacking energy: -157.508
Base-Backbone interact. energy: -1.255
local terms energy: -165.213905
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -27.890
flat angles C4'-P-C4' energy: -44.724
flat angles P-C4'-P energy: -25.143
tors. eta vs tors. theta energy: -38.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -472.279221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.279221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.279221 (E_RNA)
where:
Base-Base interactions energy: -321.268
where: short stacking energy: -141.193
Base-Backbone interact. energy: 0.436
local terms energy: -151.447964
where:
bonds (distance) C4'-P energy: -30.049
bonds (distance) P-C4' energy: -26.432
flat angles C4'-P-C4' energy: -38.431
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -33.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -430.816391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.816391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.816391 (E_RNA)
where:
Base-Base interactions energy: -288.612
where: short stacking energy: -109.733
Base-Backbone interact. energy: 0.169
local terms energy: -142.373260
where:
bonds (distance) C4'-P energy: -41.398
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -16.606
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: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -346.520615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.520615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.520615 (E_RNA)
where:
Base-Base interactions energy: -213.477
where: short stacking energy: -103.404
Base-Backbone interact. energy: 0.661
local terms energy: -133.704951
where:
bonds (distance) C4'-P energy: -36.479
bonds (distance) P-C4' energy: -32.155
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -25.490
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -194.755449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.755449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.755449 (E_RNA)
where:
Base-Base interactions energy: -89.871
where: short stacking energy: -62.066
Base-Backbone interact. energy: -0.940
local terms energy: -103.944516
where:
bonds (distance) C4'-P energy: -23.528
bonds (distance) P-C4' energy: -39.740
flat angles C4'-P-C4' energy: -30.166
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: 5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -170.013086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.013086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.013086 (E_RNA)
where:
Base-Base interactions energy: -58.913
where: short stacking energy: -53.532
Base-Backbone interact. energy: 2.093
local terms energy: -113.192568
where:
bonds (distance) C4'-P energy: -33.135
bonds (distance) P-C4' energy: -38.462
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -649.908352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.908352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.908352 (E_RNA)
where:
Base-Base interactions energy: -439.545
where: short stacking energy: -192.824
Base-Backbone interact. energy: -0.063
local terms energy: -210.300292
where:
bonds (distance) C4'-P energy: -38.650
bonds (distance) P-C4' energy: -38.890
flat angles C4'-P-C4' energy: -46.817
flat angles P-C4'-P energy: -27.830
tors. eta vs tors. theta energy: -58.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -648.489557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.489557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.489557 (E_RNA)
where:
Base-Base interactions energy: -445.418
where: short stacking energy: -194.929
Base-Backbone interact. energy: -0.089
local terms energy: -202.982695
where:
bonds (distance) C4'-P energy: -32.015
bonds (distance) P-C4' energy: -36.859
flat angles C4'-P-C4' energy: -42.590
flat angles P-C4'-P energy: -26.214
tors. eta vs tors. theta energy: -65.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -607.942377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.942377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.942377 (E_RNA)
where:
Base-Base interactions energy: -421.276
where: short stacking energy: -167.556
Base-Backbone interact. energy: -1.147
local terms energy: -185.519328
where:
bonds (distance) C4'-P energy: -31.846
bonds (distance) P-C4' energy: -38.294
flat angles C4'-P-C4' energy: -41.983
flat angles P-C4'-P energy: -26.138
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: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -509.690476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.690476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.690476 (E_RNA)
where:
Base-Base interactions energy: -338.887
where: short stacking energy: -170.714
Base-Backbone interact. energy: -1.273
local terms energy: -169.530655
where:
bonds (distance) C4'-P energy: -31.501
bonds (distance) P-C4' energy: -36.152
flat angles C4'-P-C4' energy: -37.597
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: -38.436
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: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -468.476767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.476767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.476767 (E_RNA)
where:
Base-Base interactions energy: -297.113
where: short stacking energy: -132.029
Base-Backbone interact. energy: -2.092
local terms energy: -169.271479
where:
bonds (distance) C4'-P energy: -31.765
bonds (distance) P-C4' energy: -38.786
flat angles C4'-P-C4' energy: -37.770
flat angles P-C4'-P energy: -31.115
tors. eta vs tors. theta energy: -29.835
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: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -469.451564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.451564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.451564 (E_RNA)
where:
Base-Base interactions energy: -306.281
where: short stacking energy: -131.902
Base-Backbone interact. energy: -1.046
local terms energy: -162.125001
where:
bonds (distance) C4'-P energy: -33.699
bonds (distance) P-C4' energy: -41.685
flat angles C4'-P-C4' energy: -30.816
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -34.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -471.452378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.452378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.452378 (E_RNA)
where:
Base-Base interactions energy: -314.225
where: short stacking energy: -124.658
Base-Backbone interact. energy: -0.502
local terms energy: -156.724784
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -36.174
flat angles C4'-P-C4' energy: -34.909
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -35.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -383.267236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.267236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.267236 (E_RNA)
where:
Base-Base interactions energy: -241.938
where: short stacking energy: -120.490
Base-Backbone interact. energy: -0.585
local terms energy: -140.744221
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -33.488
flat angles C4'-P-C4' energy: -33.961
flat angles P-C4'-P energy: -28.636
tors. eta vs tors. theta energy: -21.066
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: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -184.181896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.181896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.181896 (E_RNA)
where:
Base-Base interactions energy: -62.999
where: short stacking energy: -57.964
Base-Backbone interact. energy: -0.404
local terms energy: -120.778837
where:
bonds (distance) C4'-P energy: -36.674
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -10.045
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: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -180.402752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.402752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.402752 (E_RNA)
where:
Base-Base interactions energy: -64.492
where: short stacking energy: -49.500
Base-Backbone interact. energy: -0.930
local terms energy: -114.980821
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -28.780
flat angles P-C4'-P energy: -26.630
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: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -655.215350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.215350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.215350 (E_RNA)
where:
Base-Base interactions energy: -445.325
where: short stacking energy: -196.428
Base-Backbone interact. energy: -0.138
local terms energy: -209.751770
where:
bonds (distance) C4'-P energy: -38.707
bonds (distance) P-C4' energy: -39.649
flat angles C4'-P-C4' energy: -41.626
flat angles P-C4'-P energy: -28.683
tors. eta vs tors. theta energy: -61.086
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: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -630.683569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.683569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.683569 (E_RNA)
where:
Base-Base interactions energy: -433.230
where: short stacking energy: -187.264
Base-Backbone interact. energy: -0.491
local terms energy: -196.962673
where:
bonds (distance) C4'-P energy: -30.461
bonds (distance) P-C4' energy: -40.202
flat angles C4'-P-C4' energy: -41.242
flat angles P-C4'-P energy: -28.073
tors. eta vs tors. theta energy: -56.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -625.879900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.879900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.879900 (E_RNA)
where:
Base-Base interactions energy: -420.091
where: short stacking energy: -182.711
Base-Backbone interact. energy: -0.941
local terms energy: -204.848079
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -40.705
flat angles C4'-P-C4' energy: -42.527
flat angles P-C4'-P energy: -27.412
tors. eta vs tors. theta energy: -61.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -515.555616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.555616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.555616 (E_RNA)
where:
Base-Base interactions energy: -340.513
where: short stacking energy: -162.389
Base-Backbone interact. energy: 0.323
local terms energy: -175.365326
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -44.025
flat angles C4'-P-C4' energy: -39.929
flat angles P-C4'-P energy: -22.818
tors. eta vs tors. theta energy: -37.584
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: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -467.059321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.059321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.059321 (E_RNA)
where:
Base-Base interactions energy: -308.345
where: short stacking energy: -134.306
Base-Backbone interact. energy: -1.365
local terms energy: -157.349999
where:
bonds (distance) C4'-P energy: -27.327
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -43.053
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -31.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -448.531361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.531361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.531361 (E_RNA)
where:
Base-Base interactions energy: -295.025
where: short stacking energy: -118.601
Base-Backbone interact. energy: -2.298
local terms energy: -151.207639
where:
bonds (distance) C4'-P energy: -33.416
bonds (distance) P-C4' energy: -33.094
flat angles C4'-P-C4' energy: -38.814
flat angles P-C4'-P energy: -26.071
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -482.648094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.648094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.648094 (E_RNA)
where:
Base-Base interactions energy: -307.956
where: short stacking energy: -139.824
Base-Backbone interact. energy: -0.416
local terms energy: -174.276012
where:
bonds (distance) C4'-P energy: -28.323
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -43.091
flat angles P-C4'-P energy: -28.890
tors. eta vs tors. theta energy: -38.057
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: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -386.190751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.190751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.190751 (E_RNA)
where:
Base-Base interactions energy: -243.838
where: short stacking energy: -106.150
Base-Backbone interact. energy: -2.209
local terms energy: -140.143554
where:
bonds (distance) C4'-P energy: -32.095
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -39.977
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -201.498194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.498194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.498194 (E_RNA)
where:
Base-Base interactions energy: -93.404
where: short stacking energy: -64.755
Base-Backbone interact. energy: -0.766
local terms energy: -107.328916
where:
bonds (distance) C4'-P energy: -36.131
bonds (distance) P-C4' energy: -34.408
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: 0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -166.094350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.094350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.094350 (E_RNA)
where:
Base-Base interactions energy: -61.243
where: short stacking energy: -45.513
Base-Backbone interact. energy: -1.198
local terms energy: -103.653469
where:
bonds (distance) C4'-P energy: -34.092
bonds (distance) P-C4' energy: -40.883
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: 4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -639.419996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.419996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.419996 (E_RNA)
where:
Base-Base interactions energy: -428.071
where: short stacking energy: -178.769
Base-Backbone interact. energy: -1.039
local terms energy: -210.310205
where:
bonds (distance) C4'-P energy: -39.013
bonds (distance) P-C4' energy: -39.539
flat angles C4'-P-C4' energy: -43.244
flat angles P-C4'-P energy: -30.750
tors. eta vs tors. theta energy: -57.764
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: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -666.451740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.451740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.451740 (E_RNA)
where:
Base-Base interactions energy: -458.748
where: short stacking energy: -210.874
Base-Backbone interact. energy: 1.333
local terms energy: -209.036518
where:
bonds (distance) C4'-P energy: -34.587
bonds (distance) P-C4' energy: -40.194
flat angles C4'-P-C4' energy: -45.946
flat angles P-C4'-P energy: -29.788
tors. eta vs tors. theta energy: -58.522
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: 195
Temperature: 1.000000
Total energy: -627.710315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.710315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.710315 (E_RNA)
where:
Base-Base interactions energy: -426.639
where: short stacking energy: -187.516
Base-Backbone interact. energy: -0.136
local terms energy: -200.935373
where:
bonds (distance) C4'-P energy: -37.099
bonds (distance) P-C4' energy: -34.217
flat angles C4'-P-C4' energy: -46.385
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -58.216
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: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -501.078391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.078391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.078391 (E_RNA)
where:
Base-Base interactions energy: -329.622
where: short stacking energy: -141.841
Base-Backbone interact. energy: 0.433
local terms energy: -171.888672
where:
bonds (distance) C4'-P energy: -30.978
bonds (distance) P-C4' energy: -37.475
flat angles C4'-P-C4' energy: -35.946
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -42.388
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: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -473.889999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.889999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.889999 (E_RNA)
where:
Base-Base interactions energy: -304.242
where: short stacking energy: -129.269
Base-Backbone interact. energy: -3.793
local terms energy: -165.854990
where:
bonds (distance) C4'-P energy: -33.378
bonds (distance) P-C4' energy: -38.276
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -29.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -462.272509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.272509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.272509 (E_RNA)
where:
Base-Base interactions energy: -303.179
where: short stacking energy: -123.886
Base-Backbone interact. energy: -1.106
local terms energy: -157.987190
where:
bonds (distance) C4'-P energy: -40.681
bonds (distance) P-C4' energy: -33.107
flat angles C4'-P-C4' energy: -39.135
flat angles P-C4'-P energy: -24.722
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -478.113620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.113620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.113620 (E_RNA)
where:
Base-Base interactions energy: -326.394
where: short stacking energy: -139.813
Base-Backbone interact. energy: -1.336
local terms energy: -150.383934
where:
bonds (distance) C4'-P energy: -36.029
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -40.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -418.860604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.860604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.860604 (E_RNA)
where:
Base-Base interactions energy: -261.349
where: short stacking energy: -118.943
Base-Backbone interact. energy: -0.654
local terms energy: -156.858078
where:
bonds (distance) C4'-P energy: -39.833
bonds (distance) P-C4' energy: -35.665
flat angles C4'-P-C4' energy: -33.492
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: -27.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -187.508991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.508991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.508991 (E_RNA)
where:
Base-Base interactions energy: -75.983
where: short stacking energy: -53.455
Base-Backbone interact. energy: 2.095
local terms energy: -113.620668
where:
bonds (distance) C4'-P energy: -30.984
bonds (distance) P-C4' energy: -37.915
flat angles C4'-P-C4' energy: -28.889
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -3.224
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: 2
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -205.504575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.504575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.504575 (E_RNA)
where:
Base-Base interactions energy: -86.454
where: short stacking energy: -53.681
Base-Backbone interact. energy: -0.662
local terms energy: -118.387796
where:
bonds (distance) C4'-P energy: -31.199
bonds (distance) P-C4' energy: -33.887
flat angles C4'-P-C4' energy: -33.942
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -4.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -674.813902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.813902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.813902 (E_RNA)
where:
Base-Base interactions energy: -463.012
where: short stacking energy: -211.034
Base-Backbone interact. energy: -0.116
local terms energy: -211.685583
where:
bonds (distance) C4'-P energy: -38.251
bonds (distance) P-C4' energy: -42.266
flat angles C4'-P-C4' energy: -38.017
flat angles P-C4'-P energy: -26.335
tors. eta vs tors. theta energy: -66.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -630.662995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.662995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.662995 (E_RNA)
where:
Base-Base interactions energy: -427.499
where: short stacking energy: -177.366
Base-Backbone interact. energy: 2.796
local terms energy: -205.959400
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -41.895
flat angles C4'-P-C4' energy: -46.134
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: -50.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -590.623549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.623549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.623549 (E_RNA)
where:
Base-Base interactions energy: -406.233
where: short stacking energy: -168.044
Base-Backbone interact. energy: -0.438
local terms energy: -183.952200
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -33.389
flat angles C4'-P-C4' energy: -46.370
flat angles P-C4'-P energy: -25.778
tors. eta vs tors. theta energy: -46.073
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: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -514.160674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.160674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.160674 (E_RNA)
where:
Base-Base interactions energy: -334.334
where: short stacking energy: -148.779
Base-Backbone interact. energy: -0.501
local terms energy: -179.325806
where:
bonds (distance) C4'-P energy: -39.831
bonds (distance) P-C4' energy: -39.856
flat angles C4'-P-C4' energy: -34.973
flat angles P-C4'-P energy: -28.807
tors. eta vs tors. theta energy: -35.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -482.033981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.033981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.033981 (E_RNA)
where:
Base-Base interactions energy: -316.995
where: short stacking energy: -129.386
Base-Backbone interact. energy: -1.037
local terms energy: -164.002268
where:
bonds (distance) C4'-P energy: -39.684
bonds (distance) P-C4' energy: -34.207
flat angles C4'-P-C4' energy: -34.796
flat angles P-C4'-P energy: -28.752
tors. eta vs tors. theta energy: -26.563
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: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -449.229123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.229123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.229123 (E_RNA)
where:
Base-Base interactions energy: -286.548
where: short stacking energy: -130.150
Base-Backbone interact. energy: -0.757
local terms energy: -161.923535
where:
bonds (distance) C4'-P energy: -39.218
bonds (distance) P-C4' energy: -27.500
flat angles C4'-P-C4' energy: -38.141
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -32.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -483.734928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.734928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.734928 (E_RNA)
where:
Base-Base interactions energy: -323.385
where: short stacking energy: -132.694
Base-Backbone interact. energy: -0.238
local terms energy: -160.111823
where:
bonds (distance) C4'-P energy: -30.829
bonds (distance) P-C4' energy: -40.097
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -29.095
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: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -432.184401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.184401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.184401 (E_RNA)
where:
Base-Base interactions energy: -274.580
where: short stacking energy: -123.571
Base-Backbone interact. energy: -0.194
local terms energy: -157.410500
where:
bonds (distance) C4'-P energy: -27.483
bonds (distance) P-C4' energy: -39.468
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -25.405
tors. eta vs tors. theta energy: -29.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -247.023092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.023092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.023092 (E_RNA)
where:
Base-Base interactions energy: -119.823
where: short stacking energy: -77.938
Base-Backbone interact. energy: -0.273
local terms energy: -126.927415
where:
bonds (distance) C4'-P energy: -29.219
bonds (distance) P-C4' energy: -35.934
flat angles C4'-P-C4' energy: -35.200
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -11.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -170.599444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.599444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.599444 (E_RNA)
where:
Base-Base interactions energy: -55.444
where: short stacking energy: -53.303
Base-Backbone interact. energy: -0.518
local terms energy: -114.637712
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -34.015
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: 0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -668.047145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.047145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.047145 (E_RNA)
where:
Base-Base interactions energy: -446.415
where: short stacking energy: -200.455
Base-Backbone interact. energy: -0.087
local terms energy: -221.545417
where:
bonds (distance) C4'-P energy: -39.896
bonds (distance) P-C4' energy: -44.236
flat angles C4'-P-C4' energy: -45.078
flat angles P-C4'-P energy: -29.370
tors. eta vs tors. theta energy: -62.965
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: 197
Temperature: 0.950000
Total energy: -629.592283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.592283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.592283 (E_RNA)
where:
Base-Base interactions energy: -428.524
where: short stacking energy: -182.965
Base-Backbone interact. energy: -1.404
local terms energy: -199.663901
where:
bonds (distance) C4'-P energy: -32.516
bonds (distance) P-C4' energy: -40.097
flat angles C4'-P-C4' energy: -43.640
flat angles P-C4'-P energy: -31.437
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: 3, replica: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -610.013676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.013676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.013676 (E_RNA)
where:
Base-Base interactions energy: -422.263
where: short stacking energy: -186.612
Base-Backbone interact. energy: -0.132
local terms energy: -187.618019
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -37.634
flat angles C4'-P-C4' energy: -42.251
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: -53.916
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: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -500.491897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.491897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.491897 (E_RNA)
where:
Base-Base interactions energy: -320.769
where: short stacking energy: -154.899
Base-Backbone interact. energy: -1.178
local terms energy: -178.544876
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -42.789
flat angles C4'-P-C4' energy: -40.643
flat angles P-C4'-P energy: -25.490
tors. eta vs tors. theta energy: -37.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -465.906328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.906328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.906328 (E_RNA)
where:
Base-Base interactions energy: -314.117
where: short stacking energy: -134.434
Base-Backbone interact. energy: -2.388
local terms energy: -149.402238
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -39.841
flat angles C4'-P-C4' energy: -40.116
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -31.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -524.831290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.831290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.831290 (E_RNA)
where:
Base-Base interactions energy: -344.762
where: short stacking energy: -150.809
Base-Backbone interact. energy: -1.161
local terms energy: -178.907984
where:
bonds (distance) C4'-P energy: -36.263
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -38.773
flat angles P-C4'-P energy: -30.957
tors. eta vs tors. theta energy: -38.787
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: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -424.507020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.507020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.507020 (E_RNA)
where:
Base-Base interactions energy: -263.776
where: short stacking energy: -125.186
Base-Backbone interact. energy: 0.387
local terms energy: -161.117775
where:
bonds (distance) C4'-P energy: -31.562
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -39.753
flat angles P-C4'-P energy: -27.779
tors. eta vs tors. theta energy: -29.768
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: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -423.557630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.557630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.557630 (E_RNA)
where:
Base-Base interactions energy: -278.800
where: short stacking energy: -127.879
Base-Backbone interact. energy: -0.774
local terms energy: -143.983351
where:
bonds (distance) C4'-P energy: -32.578
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -34.257
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -26.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -194.925727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.925727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.925727 (E_RNA)
where:
Base-Base interactions energy: -84.738
where: short stacking energy: -71.059
Base-Backbone interact. energy: -0.605
local terms energy: -109.582906
where:
bonds (distance) C4'-P energy: -34.606
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -18.851
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -161.110361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.110361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.110361 (E_RNA)
where:
Base-Base interactions energy: -48.318
where: short stacking energy: -37.948
Base-Backbone interact. energy: -0.179
local terms energy: -112.613207
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -38.704
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: 1.070
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: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -642.551060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.551060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.551060 (E_RNA)
where:
Base-Base interactions energy: -438.622
where: short stacking energy: -179.112
Base-Backbone interact. energy: -0.688
local terms energy: -203.240541
where:
bonds (distance) C4'-P energy: -34.844
bonds (distance) P-C4' energy: -38.195
flat angles C4'-P-C4' energy: -44.919
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -59.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -651.262908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.262908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.262908 (E_RNA)
where:
Base-Base interactions energy: -440.900
where: short stacking energy: -190.412
Base-Backbone interact. energy: -0.366
local terms energy: -209.997303
where:
bonds (distance) C4'-P energy: -38.365
bonds (distance) P-C4' energy: -37.183
flat angles C4'-P-C4' energy: -43.907
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -62.063
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: 198
Temperature: 1.000000
Total energy: -622.207648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.207648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.207648 (E_RNA)
where:
Base-Base interactions energy: -432.728
where: short stacking energy: -176.973
Base-Backbone interact. energy: -0.777
local terms energy: -188.703490
where:
bonds (distance) C4'-P energy: -30.609
bonds (distance) P-C4' energy: -40.319
flat angles C4'-P-C4' energy: -44.105
flat angles P-C4'-P energy: -20.880
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: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -512.978626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.978626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.978626 (E_RNA)
where:
Base-Base interactions energy: -329.187
where: short stacking energy: -139.073
Base-Backbone interact. energy: -0.382
local terms energy: -183.410278
where:
bonds (distance) C4'-P energy: -39.237
bonds (distance) P-C4' energy: -37.837
flat angles C4'-P-C4' energy: -41.103
flat angles P-C4'-P energy: -32.418
tors. eta vs tors. theta energy: -32.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -527.485095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.485095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.485095 (E_RNA)
where:
Base-Base interactions energy: -344.489
where: short stacking energy: -149.420
Base-Backbone interact. energy: -0.186
local terms energy: -182.809925
where:
bonds (distance) C4'-P energy: -39.162
bonds (distance) P-C4' energy: -36.306
flat angles C4'-P-C4' energy: -38.542
flat angles P-C4'-P energy: -27.646
tors. eta vs tors. theta energy: -41.154
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: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -474.929434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.929434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.929434 (E_RNA)
where:
Base-Base interactions energy: -314.600
where: short stacking energy: -141.791
Base-Backbone interact. energy: 1.928
local terms energy: -162.258255
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -35.368
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -37.089
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: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -451.421936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.421936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.421936 (E_RNA)
where:
Base-Base interactions energy: -306.000
where: short stacking energy: -152.726
Base-Backbone interact. energy: -0.691
local terms energy: -144.730070
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -26.524
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -38.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -411.072026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.072026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.072026 (E_RNA)
where:
Base-Base interactions energy: -268.408
where: short stacking energy: -121.879
Base-Backbone interact. energy: -0.356
local terms energy: -142.307721
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -38.047
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -27.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -211.092090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.092090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.092090 (E_RNA)
where:
Base-Base interactions energy: -67.160
where: short stacking energy: -55.950
Base-Backbone interact. energy: 1.980
local terms energy: -145.912136
where:
bonds (distance) C4'-P energy: -38.281
bonds (distance) P-C4' energy: -43.937
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -161.944252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.944252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.944252 (E_RNA)
where:
Base-Base interactions energy: -70.057
where: short stacking energy: -48.408
Base-Backbone interact. energy: 1.137
local terms energy: -93.023940
where:
bonds (distance) C4'-P energy: -25.876
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -25.154
flat angles P-C4'-P energy: -22.720
tors. eta vs tors. theta energy: 6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -636.400283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.400283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.400283 (E_RNA)
where:
Base-Base interactions energy: -436.854
where: short stacking energy: -178.114
Base-Backbone interact. energy: -0.617
local terms energy: -198.929059
where:
bonds (distance) C4'-P energy: -39.420
bonds (distance) P-C4' energy: -34.986
flat angles C4'-P-C4' energy: -43.945
flat angles P-C4'-P energy: -29.916
tors. eta vs tors. theta energy: -50.662
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: 199
Temperature: 0.950000
Total energy: -643.140757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.140757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.140757 (E_RNA)
where:
Base-Base interactions energy: -436.428
where: short stacking energy: -182.335
Base-Backbone interact. energy: -0.207
local terms energy: -206.505615
where:
bonds (distance) C4'-P energy: -39.716
bonds (distance) P-C4' energy: -37.530
flat angles C4'-P-C4' energy: -42.543
flat angles P-C4'-P energy: -28.573
tors. eta vs tors. theta energy: -58.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -624.029073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.029073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.029073 (E_RNA)
where:
Base-Base interactions energy: -425.831
where: short stacking energy: -177.317
Base-Backbone interact. energy: -0.440
local terms energy: -197.758446
where:
bonds (distance) C4'-P energy: -35.886
bonds (distance) P-C4' energy: -40.297
flat angles C4'-P-C4' energy: -41.820
flat angles P-C4'-P energy: -25.006
tors. eta vs tors. theta energy: -54.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -555.717057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.717057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.717057 (E_RNA)
where:
Base-Base interactions energy: -367.543
where: short stacking energy: -161.521
Base-Backbone interact. energy: -0.817
local terms energy: -187.357319
where:
bonds (distance) C4'-P energy: -30.256
bonds (distance) P-C4' energy: -41.829
flat angles C4'-P-C4' energy: -38.064
flat angles P-C4'-P energy: -29.418
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: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -474.709201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.709201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.709201 (E_RNA)
where:
Base-Base interactions energy: -303.279
where: short stacking energy: -139.488
Base-Backbone interact. energy: -0.728
local terms energy: -170.702813
where:
bonds (distance) C4'-P energy: -38.190
bonds (distance) P-C4' energy: -40.344
flat angles C4'-P-C4' energy: -41.876
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -34.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -471.122496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.122496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.122496 (E_RNA)
where:
Base-Base interactions energy: -300.466
where: short stacking energy: -139.395
Base-Backbone interact. energy: -0.631
local terms energy: -170.025820
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -41.382
flat angles C4'-P-C4' energy: -37.495
flat angles P-C4'-P energy: -24.180
tors. eta vs tors. theta energy: -33.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -490.754223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.754223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.754223 (E_RNA)
where:
Base-Base interactions energy: -322.583
where: short stacking energy: -136.267
Base-Backbone interact. energy: 0.055
local terms energy: -168.225698
where:
bonds (distance) C4'-P energy: -35.918
bonds (distance) P-C4' energy: -39.624
flat angles C4'-P-C4' energy: -32.490
flat angles P-C4'-P energy: -30.465
tors. eta vs tors. theta energy: -29.728
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: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -399.436791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.436791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.436791 (E_RNA)
where:
Base-Base interactions energy: -259.536
where: short stacking energy: -111.399
Base-Backbone interact. energy: -1.052
local terms energy: -138.848392
where:
bonds (distance) C4'-P energy: -35.995
bonds (distance) P-C4' energy: -32.070
flat angles C4'-P-C4' energy: -29.852
flat angles P-C4'-P energy: -21.157
tors. eta vs tors. theta energy: -19.774
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: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -197.963283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.963283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.963283 (E_RNA)
where:
Base-Base interactions energy: -76.705
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.496
local terms energy: -120.762285
where:
bonds (distance) C4'-P energy: -35.175
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -27.266
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -165.846971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.846971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.846971 (E_RNA)
where:
Base-Base interactions energy: -59.041
where: short stacking energy: -30.671
Base-Backbone interact. energy: -0.246
local terms energy: -106.560302
where:
bonds (distance) C4'-P energy: -33.476
bonds (distance) P-C4' energy: -38.273
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: 9.722
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: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -663.815042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.815042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.815042 (E_RNA)
where:
Base-Base interactions energy: -452.742
where: short stacking energy: -198.768
Base-Backbone interact. energy: -0.210
local terms energy: -210.863071
where:
bonds (distance) C4'-P energy: -35.879
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -45.546
flat angles P-C4'-P energy: -30.828
tors. eta vs tors. theta energy: -63.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -628.910250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.910250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.910250 (E_RNA)
where:
Base-Base interactions energy: -431.824
where: short stacking energy: -186.432
Base-Backbone interact. energy: -0.154
local terms energy: -196.932226
where:
bonds (distance) C4'-P energy: -32.376
bonds (distance) P-C4' energy: -40.625
flat angles C4'-P-C4' energy: -46.219
flat angles P-C4'-P energy: -29.760
tors. eta vs tors. theta energy: -47.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -630.461221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.461221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.461221 (E_RNA)
where:
Base-Base interactions energy: -438.235
where: short stacking energy: -201.202
Base-Backbone interact. energy: -0.176
local terms energy: -192.050114
where:
bonds (distance) C4'-P energy: -34.254
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -42.400
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -59.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -572.618515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.618515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.618515 (E_RNA)
where:
Base-Base interactions energy: -375.346
where: short stacking energy: -163.617
Base-Backbone interact. energy: -0.383
local terms energy: -196.889077
where:
bonds (distance) C4'-P energy: -32.706
bonds (distance) P-C4' energy: -40.364
flat angles C4'-P-C4' energy: -38.156
flat angles P-C4'-P energy: -29.797
tors. eta vs tors. theta energy: -55.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -506.069621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.069621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.069621 (E_RNA)
where:
Base-Base interactions energy: -320.140
where: short stacking energy: -148.825
Base-Backbone interact. energy: -1.629
local terms energy: -184.300401
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -37.599
flat angles C4'-P-C4' energy: -45.861
flat angles P-C4'-P energy: -29.818
tors. eta vs tors. theta energy: -43.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -454.266132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.266132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.266132 (E_RNA)
where:
Base-Base interactions energy: -300.079
where: short stacking energy: -127.036
Base-Backbone interact. energy: -0.210
local terms energy: -153.977483
where:
bonds (distance) C4'-P energy: -29.499
bonds (distance) P-C4' energy: -39.283
flat angles C4'-P-C4' energy: -39.694
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -25.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -469.104064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.104064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.104064 (E_RNA)
where:
Base-Base interactions energy: -311.330
where: short stacking energy: -136.982
Base-Backbone interact. energy: -0.246
local terms energy: -157.527822
where:
bonds (distance) C4'-P energy: -33.747
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -36.238
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -34.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -414.119732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.119732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.119732 (E_RNA)
where:
Base-Base interactions energy: -275.852
where: short stacking energy: -120.797
Base-Backbone interact. energy: -0.993
local terms energy: -137.274877
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -34.034
flat angles C4'-P-C4' energy: -34.027
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -28.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -194.928508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.928508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.928508 (E_RNA)
where:
Base-Base interactions energy: -73.871
where: short stacking energy: -65.474
Base-Backbone interact. energy: -0.034
local terms energy: -121.023666
where:
bonds (distance) C4'-P energy: -37.961
bonds (distance) P-C4' energy: -37.773
flat angles C4'-P-C4' energy: -32.979
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: 2.547
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: 2
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -194.036257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.036257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.036257 (E_RNA)
where:
Base-Base interactions energy: -85.666
where: short stacking energy: -52.880
Base-Backbone interact. energy: -0.942
local terms energy: -107.427784
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: 2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -674.059597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.059597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.059597 (E_RNA)
where:
Base-Base interactions energy: -462.793
where: short stacking energy: -201.021
Base-Backbone interact. energy: -0.020
local terms energy: -211.247133
where:
bonds (distance) C4'-P energy: -38.959
bonds (distance) P-C4' energy: -40.646
flat angles C4'-P-C4' energy: -47.144
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -60.566
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: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -650.219463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.219463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.219463 (E_RNA)
where:
Base-Base interactions energy: -439.526
where: short stacking energy: -201.545
Base-Backbone interact. energy: -0.003
local terms energy: -210.690398
where:
bonds (distance) C4'-P energy: -37.136
bonds (distance) P-C4' energy: -40.902
flat angles C4'-P-C4' energy: -45.150
flat angles P-C4'-P energy: -29.038
tors. eta vs tors. theta energy: -58.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -607.590184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.590184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.590184 (E_RNA)
where:
Base-Base interactions energy: -401.713
where: short stacking energy: -175.362
Base-Backbone interact. energy: -0.496
local terms energy: -205.380846
where:
bonds (distance) C4'-P energy: -36.193
bonds (distance) P-C4' energy: -39.520
flat angles C4'-P-C4' energy: -45.291
flat angles P-C4'-P energy: -32.094
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: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -583.199482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.199482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.199482 (E_RNA)
where:
Base-Base interactions energy: -389.124
where: short stacking energy: -174.080
Base-Backbone interact. energy: -0.488
local terms energy: -193.587617
where:
bonds (distance) C4'-P energy: -35.416
bonds (distance) P-C4' energy: -38.995
flat angles C4'-P-C4' energy: -38.243
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: -51.798
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: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -531.752449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.752449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.752449 (E_RNA)
where:
Base-Base interactions energy: -343.876
where: short stacking energy: -164.029
Base-Backbone interact. energy: -0.653
local terms energy: -187.223333
where:
bonds (distance) C4'-P energy: -38.728
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -42.894
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -45.604
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: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -480.549244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.549244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.549244 (E_RNA)
where:
Base-Base interactions energy: -306.448
where: short stacking energy: -130.890
Base-Backbone interact. energy: -0.594
local terms energy: -173.506962
where:
bonds (distance) C4'-P energy: -38.149
bonds (distance) P-C4' energy: -39.951
flat angles C4'-P-C4' energy: -38.724
flat angles P-C4'-P energy: -28.543
tors. eta vs tors. theta energy: -28.140
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: 201
Temperature: 1.200000
Total energy: -450.071346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.071346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.071346 (E_RNA)
where:
Base-Base interactions energy: -297.181
where: short stacking energy: -121.990
Base-Backbone interact. energy: 1.232
local terms energy: -154.121994
where:
bonds (distance) C4'-P energy: -39.518
bonds (distance) P-C4' energy: -35.399
flat angles C4'-P-C4' energy: -29.659
flat angles P-C4'-P energy: -24.928
tors. eta vs tors. theta energy: -24.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -446.694874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.694874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.694874 (E_RNA)
where:
Base-Base interactions energy: -287.921
where: short stacking energy: -135.663
Base-Backbone interact. energy: -0.518
local terms energy: -158.255364
where:
bonds (distance) C4'-P energy: -31.362
bonds (distance) P-C4' energy: -39.472
flat angles C4'-P-C4' energy: -33.794
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: -31.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -190.670908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.670908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.670908 (E_RNA)
where:
Base-Base interactions energy: -64.671
where: short stacking energy: -57.488
Base-Backbone interact. energy: -0.581
local terms energy: -125.419039
where:
bonds (distance) C4'-P energy: -40.831
bonds (distance) P-C4' energy: -30.187
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -250.528558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.528558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.528558 (E_RNA)
where:
Base-Base interactions energy: -116.527
where: short stacking energy: -63.790
Base-Backbone interact. energy: 1.439
local terms energy: -135.440408
where:
bonds (distance) C4'-P energy: -30.483
bonds (distance) P-C4' energy: -36.153
flat angles C4'-P-C4' energy: -33.719
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -10.749
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: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -670.671166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.671166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.671166 (E_RNA)
where:
Base-Base interactions energy: -465.240
where: short stacking energy: -201.625
Base-Backbone interact. energy: 0.261
local terms energy: -205.692062
where:
bonds (distance) C4'-P energy: -34.431
bonds (distance) P-C4' energy: -37.594
flat angles C4'-P-C4' energy: -42.535
flat angles P-C4'-P energy: -27.816
tors. eta vs tors. theta energy: -63.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -646.433134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.433134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.433134 (E_RNA)
where:
Base-Base interactions energy: -446.213
where: short stacking energy: -190.883
Base-Backbone interact. energy: -0.112
local terms energy: -200.108108
where:
bonds (distance) C4'-P energy: -41.452
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -37.358
flat angles P-C4'-P energy: -31.424
tors. eta vs tors. theta energy: -58.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -612.776171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.776171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.776171 (E_RNA)
where:
Base-Base interactions energy: -423.233
where: short stacking energy: -171.092
Base-Backbone interact. energy: -0.041
local terms energy: -189.501456
where:
bonds (distance) C4'-P energy: -36.799
bonds (distance) P-C4' energy: -36.756
flat angles C4'-P-C4' energy: -40.949
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -50.810
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: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -552.118283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.118283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.118283 (E_RNA)
where:
Base-Base interactions energy: -371.722
where: short stacking energy: -168.483
Base-Backbone interact. energy: -0.850
local terms energy: -179.545996
where:
bonds (distance) C4'-P energy: -33.234
bonds (distance) P-C4' energy: -26.333
flat angles C4'-P-C4' energy: -42.555
flat angles P-C4'-P energy: -25.625
tors. eta vs tors. theta energy: -51.798
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: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -524.356553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.356553 (E_RNA)
where:
Base-Base interactions energy: -346.152
where: short stacking energy: -166.746
Base-Backbone interact. energy: 5.055
local terms energy: -183.259394
where:
bonds (distance) C4'-P energy: -37.545
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -37.849
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -47.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -478.664363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.664363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.664363 (E_RNA)
where:
Base-Base interactions energy: -326.015
where: short stacking energy: -139.715
Base-Backbone interact. energy: -1.357
local terms energy: -151.292160
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -37.324
flat angles C4'-P-C4' energy: -38.330
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -33.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -438.241952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.241952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.241952 (E_RNA)
where:
Base-Base interactions energy: -292.628
where: short stacking energy: -132.543
Base-Backbone interact. energy: 0.679
local terms energy: -146.293365
where:
bonds (distance) C4'-P energy: -27.141
bonds (distance) P-C4' energy: -29.707
flat angles C4'-P-C4' energy: -40.107
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -29.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -442.928368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.928368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.928368 (E_RNA)
where:
Base-Base interactions energy: -300.981
where: short stacking energy: -129.532
Base-Backbone interact. energy: -1.777
local terms energy: -140.169640
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -32.750
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -35.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -286.196090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.196090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.196090 (E_RNA)
where:
Base-Base interactions energy: -167.691
where: short stacking energy: -73.721
Base-Backbone interact. energy: -1.701
local terms energy: -116.804697
where:
bonds (distance) C4'-P energy: -28.319
bonds (distance) P-C4' energy: -42.524
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -169.579368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.579368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.579368 (E_RNA)
where:
Base-Base interactions energy: -64.848
where: short stacking energy: -44.075
Base-Backbone interact. energy: -0.242
local terms energy: -104.488874
where:
bonds (distance) C4'-P energy: -34.024
bonds (distance) P-C4' energy: -38.166
flat angles C4'-P-C4' energy: -24.737
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: 4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -679.276849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.276849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.276849 (E_RNA)
where:
Base-Base interactions energy: -461.222
where: short stacking energy: -215.319
Base-Backbone interact. energy: 0.098
local terms energy: -218.152739
where:
bonds (distance) C4'-P energy: -38.701
bonds (distance) P-C4' energy: -36.316
flat angles C4'-P-C4' energy: -43.681
flat angles P-C4'-P energy: -37.740
tors. eta vs tors. theta energy: -61.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -622.111541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.111541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.111541 (E_RNA)
where:
Base-Base interactions energy: -421.752
where: short stacking energy: -171.044
Base-Backbone interact. energy: -1.112
local terms energy: -199.247530
where:
bonds (distance) C4'-P energy: -34.803
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -41.855
flat angles P-C4'-P energy: -32.578
tors. eta vs tors. theta energy: -56.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -631.012272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.012272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.012272 (E_RNA)
where:
Base-Base interactions energy: -424.286
where: short stacking energy: -184.047
Base-Backbone interact. energy: -0.056
local terms energy: -206.670578
where:
bonds (distance) C4'-P energy: -34.643
bonds (distance) P-C4' energy: -34.400
flat angles C4'-P-C4' energy: -45.626
flat angles P-C4'-P energy: -30.436
tors. eta vs tors. theta energy: -61.566
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: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -575.223377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.223377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.223377 (E_RNA)
where:
Base-Base interactions energy: -379.139
where: short stacking energy: -175.269
Base-Backbone interact. energy: -0.740
local terms energy: -195.344719
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -39.179
flat angles C4'-P-C4' energy: -39.188
flat angles P-C4'-P energy: -30.670
tors. eta vs tors. theta energy: -55.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -539.887112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.887112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.887112 (E_RNA)
where:
Base-Base interactions energy: -355.519
where: short stacking energy: -158.203
Base-Backbone interact. energy: -0.860
local terms energy: -183.508433
where:
bonds (distance) C4'-P energy: -34.826
bonds (distance) P-C4' energy: -33.270
flat angles C4'-P-C4' energy: -43.161
flat angles P-C4'-P energy: -27.225
tors. eta vs tors. theta energy: -45.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -472.188531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.188531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.188531 (E_RNA)
where:
Base-Base interactions energy: -306.742
where: short stacking energy: -141.525
Base-Backbone interact. energy: -0.903
local terms energy: -164.543503
where:
bonds (distance) C4'-P energy: -32.253
bonds (distance) P-C4' energy: -36.548
flat angles C4'-P-C4' energy: -38.732
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -30.290
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: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -467.611885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.611885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.611885 (E_RNA)
where:
Base-Base interactions energy: -327.251
where: short stacking energy: -137.391
Base-Backbone interact. energy: -0.206
local terms energy: -140.155173
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -30.892
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -30.228
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: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -429.016962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.016962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.016962 (E_RNA)
where:
Base-Base interactions energy: -307.555
where: short stacking energy: -133.816
Base-Backbone interact. energy: -1.582
local terms energy: -119.880455
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -25.076
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -28.162
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: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -275.189955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.189955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.189955 (E_RNA)
where:
Base-Base interactions energy: -147.535
where: short stacking energy: -79.257
Base-Backbone interact. energy: -0.262
local terms energy: -127.392974
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -34.908
flat angles C4'-P-C4' energy: -37.148
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -13.166
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: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -180.473087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.473087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.473087 (E_RNA)
where:
Base-Base interactions energy: -57.370
where: short stacking energy: -58.270
Base-Backbone interact. energy: -0.739
local terms energy: -122.364321
where:
bonds (distance) C4'-P energy: -40.272
bonds (distance) P-C4' energy: -44.165
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -641.376993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.376993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.376993 (E_RNA)
where:
Base-Base interactions energy: -441.562
where: short stacking energy: -190.056
Base-Backbone interact. energy: -0.948
local terms energy: -198.866426
where:
bonds (distance) C4'-P energy: -31.399
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -41.199
flat angles P-C4'-P energy: -29.418
tors. eta vs tors. theta energy: -61.571
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: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -658.278268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.278268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.278268 (E_RNA)
where:
Base-Base interactions energy: -452.295
where: short stacking energy: -184.429
Base-Backbone interact. energy: -0.780
local terms energy: -205.202621
where:
bonds (distance) C4'-P energy: -27.336
bonds (distance) P-C4' energy: -37.946
flat angles C4'-P-C4' energy: -43.756
flat angles P-C4'-P energy: -34.743
tors. eta vs tors. theta energy: -61.421
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: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -630.248771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.248771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.248771 (E_RNA)
where:
Base-Base interactions energy: -423.066
where: short stacking energy: -190.244
Base-Backbone interact. energy: -0.153
local terms energy: -207.029218
where:
bonds (distance) C4'-P energy: -35.851
bonds (distance) P-C4' energy: -38.646
flat angles C4'-P-C4' energy: -44.836
flat angles P-C4'-P energy: -28.000
tors. eta vs tors. theta energy: -59.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -580.366032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.366032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.366032 (E_RNA)
where:
Base-Base interactions energy: -392.378
where: short stacking energy: -190.705
Base-Backbone interact. energy: -1.223
local terms energy: -186.765206
where:
bonds (distance) C4'-P energy: -32.125
bonds (distance) P-C4' energy: -40.548
flat angles C4'-P-C4' energy: -39.683
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -52.118
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: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -528.386529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.386529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.386529 (E_RNA)
where:
Base-Base interactions energy: -349.322
where: short stacking energy: -155.297
Base-Backbone interact. energy: -0.788
local terms energy: -178.276473
where:
bonds (distance) C4'-P energy: -40.458
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -34.234
flat angles P-C4'-P energy: -21.797
tors. eta vs tors. theta energy: -45.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -475.272766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.272766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.272766 (E_RNA)
where:
Base-Base interactions energy: -318.399
where: short stacking energy: -135.863
Base-Backbone interact. energy: -0.413
local terms energy: -156.460484
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -27.924
flat angles C4'-P-C4' energy: -39.273
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: -34.554
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: 204
Temperature: 1.200000
Total energy: -438.863154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.863154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.863154 (E_RNA)
where:
Base-Base interactions energy: -286.207
where: short stacking energy: -119.123
Base-Backbone interact. energy: -0.956
local terms energy: -151.700504
where:
bonds (distance) C4'-P energy: -38.440
bonds (distance) P-C4' energy: -35.806
flat angles C4'-P-C4' energy: -36.302
flat angles P-C4'-P energy: -20.986
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: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -401.955586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.955586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.955586 (E_RNA)
where:
Base-Base interactions energy: -253.924
where: short stacking energy: -104.234
Base-Backbone interact. energy: -1.929
local terms energy: -146.102449
where:
bonds (distance) C4'-P energy: -29.901
bonds (distance) P-C4' energy: -35.123
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -22.918
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: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -263.429525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.429525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.429525 (E_RNA)
where:
Base-Base interactions energy: -126.891
where: short stacking energy: -62.008
Base-Backbone interact. energy: 0.468
local terms energy: -137.007001
where:
bonds (distance) C4'-P energy: -38.975
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -31.698
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -173.374470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.374470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.374470 (E_RNA)
where:
Base-Base interactions energy: -63.040
where: short stacking energy: -49.211
Base-Backbone interact. energy: -0.652
local terms energy: -109.681740
where:
bonds (distance) C4'-P energy: -37.775
bonds (distance) P-C4' energy: -30.778
flat angles C4'-P-C4' energy: -37.263
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: 3.084
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: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -638.819041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.819041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.819041 (E_RNA)
where:
Base-Base interactions energy: -431.279
where: short stacking energy: -192.420
Base-Backbone interact. energy: -0.410
local terms energy: -207.129699
where:
bonds (distance) C4'-P energy: -37.262
bonds (distance) P-C4' energy: -40.825
flat angles C4'-P-C4' energy: -40.495
flat angles P-C4'-P energy: -28.058
tors. eta vs tors. theta energy: -60.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -655.805175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.805175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.805175 (E_RNA)
where:
Base-Base interactions energy: -450.141
where: short stacking energy: -182.626
Base-Backbone interact. energy: -0.804
local terms energy: -204.859938
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -35.989
flat angles C4'-P-C4' energy: -35.631
flat angles P-C4'-P energy: -35.839
tors. eta vs tors. theta energy: -65.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -608.746977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.746977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.746977 (E_RNA)
where:
Base-Base interactions energy: -417.757
where: short stacking energy: -175.717
Base-Backbone interact. energy: -0.275
local terms energy: -190.714439
where:
bonds (distance) C4'-P energy: -31.812
bonds (distance) P-C4' energy: -37.648
flat angles C4'-P-C4' energy: -43.057
flat angles P-C4'-P energy: -26.002
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: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -588.871769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.871769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.871769 (E_RNA)
where:
Base-Base interactions energy: -392.463
where: short stacking energy: -188.917
Base-Backbone interact. energy: -0.011
local terms energy: -196.398002
where:
bonds (distance) C4'-P energy: -40.321
bonds (distance) P-C4' energy: -34.147
flat angles C4'-P-C4' energy: -43.224
flat angles P-C4'-P energy: -26.862
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: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -570.481711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.481711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.481711 (E_RNA)
where:
Base-Base interactions energy: -383.215
where: short stacking energy: -174.984
Base-Backbone interact. energy: -1.021
local terms energy: -186.245831
where:
bonds (distance) C4'-P energy: -37.858
bonds (distance) P-C4' energy: -33.226
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -30.297
tors. eta vs tors. theta energy: -46.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -443.828729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.828729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.828729 (E_RNA)
where:
Base-Base interactions energy: -295.982
where: short stacking energy: -125.469
Base-Backbone interact. energy: -0.735
local terms energy: -147.111245
where:
bonds (distance) C4'-P energy: -30.895
bonds (distance) P-C4' energy: -35.170
flat angles C4'-P-C4' energy: -36.365
flat angles P-C4'-P energy: -22.917
tors. eta vs tors. theta energy: -21.765
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: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -473.907113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.907113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.907113 (E_RNA)
where:
Base-Base interactions energy: -306.330
where: short stacking energy: -130.031
Base-Backbone interact. energy: -0.474
local terms energy: -167.103608
where:
bonds (distance) C4'-P energy: -38.628
bonds (distance) P-C4' energy: -35.403
flat angles C4'-P-C4' energy: -40.941
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: -30.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -441.355612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.355612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.355612 (E_RNA)
where:
Base-Base interactions energy: -300.160
where: short stacking energy: -127.856
Base-Backbone interact. energy: 0.014
local terms energy: -141.209529
where:
bonds (distance) C4'-P energy: -36.503
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -37.732
flat angles P-C4'-P energy: -24.341
tors. eta vs tors. theta energy: -22.023
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: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -268.644493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.644493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.644493 (E_RNA)
where:
Base-Base interactions energy: -130.087
where: short stacking energy: -63.291
Base-Backbone interact. energy: 0.101
local terms energy: -138.658511
where:
bonds (distance) C4'-P energy: -37.399
bonds (distance) P-C4' energy: -33.551
flat angles C4'-P-C4' energy: -36.768
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -14.561
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: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -172.972784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.972784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.972784 (E_RNA)
where:
Base-Base interactions energy: -60.636
where: short stacking energy: -55.225
Base-Backbone interact. energy: 0.916
local terms energy: -113.252789
where:
bonds (distance) C4'-P energy: -28.912
bonds (distance) P-C4' energy: -38.917
flat angles C4'-P-C4' energy: -34.259
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: 2.267
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: 206
Temperature: 0.900000
Total energy: -665.128982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.128982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.128982 (E_RNA)
where:
Base-Base interactions energy: -448.285
where: short stacking energy: -197.638
Base-Backbone interact. energy: 0.888
local terms energy: -217.731957
where:
bonds (distance) C4'-P energy: -39.535
bonds (distance) P-C4' energy: -40.486
flat angles C4'-P-C4' energy: -42.056
flat angles P-C4'-P energy: -33.463
tors. eta vs tors. theta energy: -62.192
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: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -617.731048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.731048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.731048 (E_RNA)
where:
Base-Base interactions energy: -420.425
where: short stacking energy: -172.944
Base-Backbone interact. energy: -0.272
local terms energy: -197.033970
where:
bonds (distance) C4'-P energy: -32.795
bonds (distance) P-C4' energy: -39.302
flat angles C4'-P-C4' energy: -41.646
flat angles P-C4'-P energy: -32.238
tors. eta vs tors. theta energy: -51.053
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: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -623.796374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.796374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.796374 (E_RNA)
where:
Base-Base interactions energy: -420.668
where: short stacking energy: -178.861
Base-Backbone interact. energy: -0.300
local terms energy: -202.828483
where:
bonds (distance) C4'-P energy: -36.315
bonds (distance) P-C4' energy: -37.355
flat angles C4'-P-C4' energy: -44.110
flat angles P-C4'-P energy: -28.155
tors. eta vs tors. theta energy: -56.893
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: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -571.739375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.739375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.739375 (E_RNA)
where:
Base-Base interactions energy: -362.845
where: short stacking energy: -175.566
Base-Backbone interact. energy: -0.860
local terms energy: -208.034873
where:
bonds (distance) C4'-P energy: -35.752
bonds (distance) P-C4' energy: -42.284
flat angles C4'-P-C4' energy: -40.134
flat angles P-C4'-P energy: -31.589
tors. eta vs tors. theta energy: -58.276
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: 206
Temperature: 1.100000
Total energy: -579.908996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.908996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.908996 (E_RNA)
where:
Base-Base interactions energy: -400.688
where: short stacking energy: -178.559
Base-Backbone interact. energy: -0.800
local terms energy: -178.420305
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -38.110
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -48.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -461.797098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.797098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.797098 (E_RNA)
where:
Base-Base interactions energy: -294.103
where: short stacking energy: -130.507
Base-Backbone interact. energy: -0.744
local terms energy: -166.950772
where:
bonds (distance) C4'-P energy: -37.180
bonds (distance) P-C4' energy: -36.129
flat angles C4'-P-C4' energy: -38.718
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -30.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -455.479655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.479655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.479655 (E_RNA)
where:
Base-Base interactions energy: -301.706
where: short stacking energy: -136.778
Base-Backbone interact. energy: 0.068
local terms energy: -153.840770
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -35.475
flat angles C4'-P-C4' energy: -34.223
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -31.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -438.615486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.615486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.615486 (E_RNA)
where:
Base-Base interactions energy: -282.978
where: short stacking energy: -118.644
Base-Backbone interact. energy: 1.910
local terms energy: -157.547262
where:
bonds (distance) C4'-P energy: -31.785
bonds (distance) P-C4' energy: -33.015
flat angles C4'-P-C4' energy: -39.162
flat angles P-C4'-P energy: -25.966
tors. eta vs tors. theta energy: -27.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -291.477983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.477983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.477983 (E_RNA)
where:
Base-Base interactions energy: -152.016
where: short stacking energy: -97.371
Base-Backbone interact. energy: -1.045
local terms energy: -138.416981
where:
bonds (distance) C4'-P energy: -30.384
bonds (distance) P-C4' energy: -39.826
flat angles C4'-P-C4' energy: -28.991
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -200.670084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.670084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.670084 (E_RNA)
where:
Base-Base interactions energy: -75.595
where: short stacking energy: -58.297
Base-Backbone interact. energy: -0.228
local terms energy: -124.846827
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -41.932
flat angles C4'-P-C4' energy: -32.851
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -0.694
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: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -669.575791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.575791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.575791 (E_RNA)
where:
Base-Base interactions energy: -455.847
where: short stacking energy: -193.006
Base-Backbone interact. energy: 0.717
local terms energy: -214.445143
where:
bonds (distance) C4'-P energy: -38.764
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -46.650
flat angles P-C4'-P energy: -25.706
tors. eta vs tors. theta energy: -62.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -627.440098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.440098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.440098 (E_RNA)
where:
Base-Base interactions energy: -415.968
where: short stacking energy: -190.388
Base-Backbone interact. energy: -0.301
local terms energy: -211.170842
where:
bonds (distance) C4'-P energy: -35.979
bonds (distance) P-C4' energy: -49.352
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -26.765
tors. eta vs tors. theta energy: -56.900
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: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -626.093075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.093075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.093075 (E_RNA)
where:
Base-Base interactions energy: -432.124
where: short stacking energy: -185.866
Base-Backbone interact. energy: -1.776
local terms energy: -192.192624
where:
bonds (distance) C4'-P energy: -31.531
bonds (distance) P-C4' energy: -34.333
flat angles C4'-P-C4' energy: -40.552
flat angles P-C4'-P energy: -32.867
tors. eta vs tors. theta energy: -52.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -561.097771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.097771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.097771 (E_RNA)
where:
Base-Base interactions energy: -375.828
where: short stacking energy: -166.777
Base-Backbone interact. energy: -0.066
local terms energy: -185.203309
where:
bonds (distance) C4'-P energy: -31.394
bonds (distance) P-C4' energy: -32.926
flat angles C4'-P-C4' energy: -39.750
flat angles P-C4'-P energy: -29.679
tors. eta vs tors. theta energy: -51.454
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: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -565.707778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.707778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.707778 (E_RNA)
where:
Base-Base interactions energy: -379.868
where: short stacking energy: -165.734
Base-Backbone interact. energy: 2.361
local terms energy: -188.200367
where:
bonds (distance) C4'-P energy: -38.622
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -42.388
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -57.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -452.873018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.873018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.873018 (E_RNA)
where:
Base-Base interactions energy: -291.810
where: short stacking energy: -139.905
Base-Backbone interact. energy: 3.111
local terms energy: -164.173502
where:
bonds (distance) C4'-P energy: -37.365
bonds (distance) P-C4' energy: -28.787
flat angles C4'-P-C4' energy: -39.268
flat angles P-C4'-P energy: -25.786
tors. eta vs tors. theta energy: -32.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -462.433812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.433812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.433812 (E_RNA)
where:
Base-Base interactions energy: -300.872
where: short stacking energy: -122.128
Base-Backbone interact. energy: -0.857
local terms energy: -160.704222
where:
bonds (distance) C4'-P energy: -33.648
bonds (distance) P-C4' energy: -26.100
flat angles C4'-P-C4' energy: -39.720
flat angles P-C4'-P energy: -25.657
tors. eta vs tors. theta energy: -35.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -430.053689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.053689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.053689 (E_RNA)
where:
Base-Base interactions energy: -273.066
where: short stacking energy: -120.066
Base-Backbone interact. energy: -0.347
local terms energy: -156.640219
where:
bonds (distance) C4'-P energy: -30.847
bonds (distance) P-C4' energy: -33.548
flat angles C4'-P-C4' energy: -38.515
flat angles P-C4'-P energy: -31.195
tors. eta vs tors. theta energy: -22.535
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: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -259.090635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.090635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.090635 (E_RNA)
where:
Base-Base interactions energy: -134.453
where: short stacking energy: -65.177
Base-Backbone interact. energy: 0.750
local terms energy: -125.387805
where:
bonds (distance) C4'-P energy: -38.113
bonds (distance) P-C4' energy: -32.503
flat angles C4'-P-C4' energy: -32.295
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -197.407247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.407247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.407247 (E_RNA)
where:
Base-Base interactions energy: -76.467
where: short stacking energy: -46.990
Base-Backbone interact. energy: -0.451
local terms energy: -120.488774
where:
bonds (distance) C4'-P energy: -32.860
bonds (distance) P-C4' energy: -33.746
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -21.747
tors. eta vs tors. theta energy: -0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -679.018549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.018549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.018549 (E_RNA)
where:
Base-Base interactions energy: -474.222
where: short stacking energy: -199.325
Base-Backbone interact. energy: -0.331
local terms energy: -204.465134
where:
bonds (distance) C4'-P energy: -34.336
bonds (distance) P-C4' energy: -42.297
flat angles C4'-P-C4' energy: -41.134
flat angles P-C4'-P energy: -23.541
tors. eta vs tors. theta energy: -63.157
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: 2, replica: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -610.627202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.627202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.627202 (E_RNA)
where:
Base-Base interactions energy: -404.654
where: short stacking energy: -174.326
Base-Backbone interact. energy: -0.141
local terms energy: -205.832124
where:
bonds (distance) C4'-P energy: -35.890
bonds (distance) P-C4' energy: -42.283
flat angles C4'-P-C4' energy: -45.881
flat angles P-C4'-P energy: -31.386
tors. eta vs tors. theta energy: -50.393
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: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -569.434595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.434595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.434595 (E_RNA)
where:
Base-Base interactions energy: -384.015
where: short stacking energy: -170.757
Base-Backbone interact. energy: -0.508
local terms energy: -184.911925
where:
bonds (distance) C4'-P energy: -37.753
bonds (distance) P-C4' energy: -40.740
flat angles C4'-P-C4' energy: -38.600
flat angles P-C4'-P energy: -23.384
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: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -580.354726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.354726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.354726 (E_RNA)
where:
Base-Base interactions energy: -396.020
where: short stacking energy: -166.938
Base-Backbone interact. energy: -0.135
local terms energy: -184.199758
where:
bonds (distance) C4'-P energy: -28.125
bonds (distance) P-C4' energy: -36.856
flat angles C4'-P-C4' energy: -42.487
flat angles P-C4'-P energy: -30.338
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: 9
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -468.494445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.494445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.494445 (E_RNA)
where:
Base-Base interactions energy: -293.659
where: short stacking energy: -129.808
Base-Backbone interact. energy: -1.101
local terms energy: -173.734736
where:
bonds (distance) C4'-P energy: -33.502
bonds (distance) P-C4' energy: -37.612
flat angles C4'-P-C4' energy: -33.792
flat angles P-C4'-P energy: -24.450
tors. eta vs tors. theta energy: -44.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -520.303508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.303508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.303508 (E_RNA)
where:
Base-Base interactions energy: -352.181
where: short stacking energy: -166.641
Base-Backbone interact. energy: -0.308
local terms energy: -167.815014
where:
bonds (distance) C4'-P energy: -31.245
bonds (distance) P-C4' energy: -30.133
flat angles C4'-P-C4' energy: -36.796
flat angles P-C4'-P energy: -20.314
tors. eta vs tors. theta energy: -49.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -431.397981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.397981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.397981 (E_RNA)
where:
Base-Base interactions energy: -292.943
where: short stacking energy: -115.034
Base-Backbone interact. energy: -0.995
local terms energy: -137.459721
where:
bonds (distance) C4'-P energy: -32.008
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -38.579
flat angles P-C4'-P energy: -23.042
tors. eta vs tors. theta energy: -20.260
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: 208
Temperature: 1.250000
Total energy: -436.202249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.202249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.202249 (E_RNA)
where:
Base-Base interactions energy: -285.704
where: short stacking energy: -115.068
Base-Backbone interact. energy: -0.575
local terms energy: -149.923473
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -33.941
flat angles C4'-P-C4' energy: -33.392
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -26.558
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: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -252.155515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.155515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.155515 (E_RNA)
where:
Base-Base interactions energy: -132.303
where: short stacking energy: -64.595
Base-Backbone interact. energy: 1.653
local terms energy: -121.505641
where:
bonds (distance) C4'-P energy: -35.958
bonds (distance) P-C4' energy: -32.541
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -163.971669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.971669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.971669 (E_RNA)
where:
Base-Base interactions energy: -67.547
where: short stacking energy: -46.519
Base-Backbone interact. energy: 0.957
local terms energy: -97.381453
where:
bonds (distance) C4'-P energy: -35.714
bonds (distance) P-C4' energy: -28.709
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: 8.252
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: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -687.493493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.493493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.493493 (E_RNA)
where:
Base-Base interactions energy: -473.533
where: short stacking energy: -213.478
Base-Backbone interact. energy: -0.218
local terms energy: -213.742586
where:
bonds (distance) C4'-P energy: -40.874
bonds (distance) P-C4' energy: -35.171
flat angles C4'-P-C4' energy: -45.870
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -65.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -620.699720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.699720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.699720 (E_RNA)
where:
Base-Base interactions energy: -431.262
where: short stacking energy: -190.301
Base-Backbone interact. energy: -0.024
local terms energy: -189.414428
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -38.948
flat angles C4'-P-C4' energy: -41.980
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -53.073
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: 3, replica: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -573.443792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.443792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.443792 (E_RNA)
where:
Base-Base interactions energy: -370.230
where: short stacking energy: -169.600
Base-Backbone interact. energy: 4.224
local terms energy: -207.438255
where:
bonds (distance) C4'-P energy: -33.828
bonds (distance) P-C4' energy: -40.142
flat angles C4'-P-C4' energy: -44.180
flat angles P-C4'-P energy: -30.877
tors. eta vs tors. theta energy: -58.411
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: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -606.092352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.092352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.092352 (E_RNA)
where:
Base-Base interactions energy: -407.797
where: short stacking energy: -174.951
Base-Backbone interact. energy: -0.152
local terms energy: -198.144285
where:
bonds (distance) C4'-P energy: -39.924
bonds (distance) P-C4' energy: -36.762
flat angles C4'-P-C4' energy: -43.344
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -50.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -477.823046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.823046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.823046 (E_RNA)
where:
Base-Base interactions energy: -309.571
where: short stacking energy: -131.547
Base-Backbone interact. energy: -0.840
local terms energy: -167.412328
where:
bonds (distance) C4'-P energy: -39.507
bonds (distance) P-C4' energy: -34.203
flat angles C4'-P-C4' energy: -40.993
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: -29.232
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: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -518.673689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.673689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.673689 (E_RNA)
where:
Base-Base interactions energy: -357.974
where: short stacking energy: -155.386
Base-Backbone interact. energy: -0.410
local terms energy: -160.289622
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -29.064
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -11.553
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: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -422.594459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.594459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.594459 (E_RNA)
where:
Base-Base interactions energy: -279.830
where: short stacking energy: -126.719
Base-Backbone interact. energy: 1.434
local terms energy: -144.198472
where:
bonds (distance) C4'-P energy: -28.325
bonds (distance) P-C4' energy: -36.179
flat angles C4'-P-C4' energy: -34.064
flat angles P-C4'-P energy: -27.422
tors. eta vs tors. theta energy: -18.209
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: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -439.494347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.494347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.494347 (E_RNA)
where:
Base-Base interactions energy: -286.411
where: short stacking energy: -118.802
Base-Backbone interact. energy: -0.549
local terms energy: -152.534981
where:
bonds (distance) C4'-P energy: -36.637
bonds (distance) P-C4' energy: -26.373
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -30.210
tors. eta vs tors. theta energy: -24.830
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: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -257.107134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.107134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.107134 (E_RNA)
where:
Base-Base interactions energy: -125.210
where: short stacking energy: -70.684
Base-Backbone interact. energy: -0.568
local terms energy: -131.329696
where:
bonds (distance) C4'-P energy: -35.902
bonds (distance) P-C4' energy: -33.670
flat angles C4'-P-C4' energy: -33.309
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -167.244126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.244126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.244126 (E_RNA)
where:
Base-Base interactions energy: -75.783
where: short stacking energy: -56.552
Base-Backbone interact. energy: -0.844
local terms energy: -90.617484
where:
bonds (distance) C4'-P energy: -34.667
bonds (distance) P-C4' energy: -28.904
flat angles C4'-P-C4' energy: -30.564
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: 10.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -675.846379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.846379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.846379 (E_RNA)
where:
Base-Base interactions energy: -456.484
where: short stacking energy: -203.715
Base-Backbone interact. energy: -0.296
local terms energy: -219.066237
where:
bonds (distance) C4'-P energy: -38.428
bonds (distance) P-C4' energy: -43.129
flat angles C4'-P-C4' energy: -45.894
flat angles P-C4'-P energy: -28.192
tors. eta vs tors. theta energy: -63.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -627.841194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.841194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.841194 (E_RNA)
where:
Base-Base interactions energy: -432.428
where: short stacking energy: -179.641
Base-Backbone interact. energy: -0.137
local terms energy: -195.276209
where:
bonds (distance) C4'-P energy: -36.443
bonds (distance) P-C4' energy: -39.493
flat angles C4'-P-C4' energy: -43.653
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -53.067
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: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -599.023285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.023285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.023285 (E_RNA)
where:
Base-Base interactions energy: -396.368
where: short stacking energy: -169.840
Base-Backbone interact. energy: -2.399
local terms energy: -200.255611
where:
bonds (distance) C4'-P energy: -36.926
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -41.706
flat angles P-C4'-P energy: -28.042
tors. eta vs tors. theta energy: -56.662
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: 210
Temperature: 1.050000
Total energy: -554.771274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.771274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.771274 (E_RNA)
where:
Base-Base interactions energy: -368.492
where: short stacking energy: -162.994
Base-Backbone interact. energy: -0.280
local terms energy: -185.999021
where:
bonds (distance) C4'-P energy: -39.508
bonds (distance) P-C4' energy: -33.995
flat angles C4'-P-C4' energy: -44.058
flat angles P-C4'-P energy: -27.378
tors. eta vs tors. theta energy: -41.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -520.438747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.438747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.438747 (E_RNA)
where:
Base-Base interactions energy: -331.452
where: short stacking energy: -145.212
Base-Backbone interact. energy: -1.257
local terms energy: -187.729818
where:
bonds (distance) C4'-P energy: -37.673
bonds (distance) P-C4' energy: -44.496
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -29.175
tors. eta vs tors. theta energy: -37.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -452.922276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.922276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.922276 (E_RNA)
where:
Base-Base interactions energy: -297.166
where: short stacking energy: -137.202
Base-Backbone interact. energy: 0.715
local terms energy: -156.471647
where:
bonds (distance) C4'-P energy: -33.450
bonds (distance) P-C4' energy: -31.147
flat angles C4'-P-C4' energy: -44.383
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: -27.314
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: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -461.417104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.417104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.417104 (E_RNA)
where:
Base-Base interactions energy: -311.089
where: short stacking energy: -126.093
Base-Backbone interact. energy: 1.674
local terms energy: -152.001413
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -32.543
flat angles C4'-P-C4' energy: -34.537
flat angles P-C4'-P energy: -31.710
tors. eta vs tors. theta energy: -25.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -434.134342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.134342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.134342 (E_RNA)
where:
Base-Base interactions energy: -290.148
where: short stacking energy: -131.609
Base-Backbone interact. energy: 3.319
local terms energy: -147.305593
where:
bonds (distance) C4'-P energy: -30.840
bonds (distance) P-C4' energy: -38.413
flat angles C4'-P-C4' energy: -31.319
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -24.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -283.890045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.890045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.890045 (E_RNA)
where:
Base-Base interactions energy: -157.912
where: short stacking energy: -81.277
Base-Backbone interact. energy: -0.566
local terms energy: -125.411451
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -33.186
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -15.354
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: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -205.758002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.758002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.758002 (E_RNA)
where:
Base-Base interactions energy: -103.461
where: short stacking energy: -80.249
Base-Backbone interact. energy: 1.306
local terms energy: -103.603107
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -24.734
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -673.280593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.280593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.280593 (E_RNA)
where:
Base-Base interactions energy: -452.898
where: short stacking energy: -201.904
Base-Backbone interact. energy: -0.013
local terms energy: -220.369790
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -44.489
flat angles C4'-P-C4' energy: -40.948
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -61.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -622.642950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.642950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.642950 (E_RNA)
where:
Base-Base interactions energy: -416.607
where: short stacking energy: -180.117
Base-Backbone interact. energy: -0.451
local terms energy: -205.584992
where:
bonds (distance) C4'-P energy: -37.731
bonds (distance) P-C4' energy: -38.370
flat angles C4'-P-C4' energy: -47.548
flat angles P-C4'-P energy: -25.879
tors. eta vs tors. theta energy: -56.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -618.659866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.659866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.659866 (E_RNA)
where:
Base-Base interactions energy: -425.142
where: short stacking energy: -180.268
Base-Backbone interact. energy: -0.483
local terms energy: -193.034897
where:
bonds (distance) C4'-P energy: -38.930
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -43.232
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: -52.321
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: 211
Temperature: 1.050000
Total energy: -536.248924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.248924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.248924 (E_RNA)
where:
Base-Base interactions energy: -344.725
where: short stacking energy: -154.320
Base-Backbone interact. energy: -0.973
local terms energy: -190.551109
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -36.481
flat angles C4'-P-C4' energy: -38.491
flat angles P-C4'-P energy: -24.618
tors. eta vs tors. theta energy: -51.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -512.659327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.659327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.659327 (E_RNA)
where:
Base-Base interactions energy: -338.390
where: short stacking energy: -143.704
Base-Backbone interact. energy: -0.960
local terms energy: -173.308868
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -31.991
flat angles C4'-P-C4' energy: -34.481
flat angles P-C4'-P energy: -20.663
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: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -463.800078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.800078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.800078 (E_RNA)
where:
Base-Base interactions energy: -295.993
where: short stacking energy: -135.152
Base-Backbone interact. energy: 2.119
local terms energy: -169.925895
where:
bonds (distance) C4'-P energy: -40.084
bonds (distance) P-C4' energy: -43.179
flat angles C4'-P-C4' energy: -33.132
flat angles P-C4'-P energy: -31.902
tors. eta vs tors. theta energy: -21.628
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: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -429.606410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.606410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.606410 (E_RNA)
where:
Base-Base interactions energy: -277.545
where: short stacking energy: -122.790
Base-Backbone interact. energy: -0.804
local terms energy: -151.256708
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -35.745
flat angles C4'-P-C4' energy: -38.510
flat angles P-C4'-P energy: -27.204
tors. eta vs tors. theta energy: -26.673
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: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -455.464681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.464681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.464681 (E_RNA)
where:
Base-Base interactions energy: -293.574
where: short stacking energy: -137.820
Base-Backbone interact. energy: -0.351
local terms energy: -161.539854
where:
bonds (distance) C4'-P energy: -33.690
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -30.351
flat angles P-C4'-P energy: -23.324
tors. eta vs tors. theta energy: -36.899
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: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -254.573786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.573786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.573786 (E_RNA)
where:
Base-Base interactions energy: -140.266
where: short stacking energy: -69.981
Base-Backbone interact. energy: 0.046
local terms energy: -114.354109
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -41.298
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -6.724
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: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -170.763135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.763135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.763135 (E_RNA)
where:
Base-Base interactions energy: -53.740
where: short stacking energy: -48.276
Base-Backbone interact. energy: 0.309
local terms energy: -117.332204
where:
bonds (distance) C4'-P energy: -39.580
bonds (distance) P-C4' energy: -34.996
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -663.707750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.707750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.707750 (E_RNA)
where:
Base-Base interactions energy: -442.268
where: short stacking energy: -188.217
Base-Backbone interact. energy: -0.060
local terms energy: -221.380046
where:
bonds (distance) C4'-P energy: -41.813
bonds (distance) P-C4' energy: -42.253
flat angles C4'-P-C4' energy: -44.496
flat angles P-C4'-P energy: -33.556
tors. eta vs tors. theta energy: -59.262
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: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -627.696279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.696279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.696279 (E_RNA)
where:
Base-Base interactions energy: -417.382
where: short stacking energy: -173.647
Base-Backbone interact. energy: -1.353
local terms energy: -208.961065
where:
bonds (distance) C4'-P energy: -37.671
bonds (distance) P-C4' energy: -45.682
flat angles C4'-P-C4' energy: -44.005
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -54.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -605.729095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.729095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.729095 (E_RNA)
where:
Base-Base interactions energy: -411.070
where: short stacking energy: -171.405
Base-Backbone interact. energy: -0.569
local terms energy: -194.089927
where:
bonds (distance) C4'-P energy: -37.859
bonds (distance) P-C4' energy: -37.537
flat angles C4'-P-C4' energy: -41.768
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: -51.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -530.204346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.204346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.204346 (E_RNA)
where:
Base-Base interactions energy: -352.568
where: short stacking energy: -169.131
Base-Backbone interact. energy: -0.811
local terms energy: -176.825856
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -40.116
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: -46.963
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: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -539.106768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.106768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.106768 (E_RNA)
where:
Base-Base interactions energy: -369.587
where: short stacking energy: -165.474
Base-Backbone interact. energy: -0.697
local terms energy: -168.822598
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -35.432
flat angles C4'-P-C4' energy: -35.006
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -46.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -474.674985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.674985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.674985 (E_RNA)
where:
Base-Base interactions energy: -331.128
where: short stacking energy: -147.643
Base-Backbone interact. energy: -0.848
local terms energy: -142.699279
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -34.469
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -29.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -443.469417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.469417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.469417 (E_RNA)
where:
Base-Base interactions energy: -291.767
where: short stacking energy: -126.823
Base-Backbone interact. energy: -2.397
local terms energy: -149.305200
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -37.139
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -31.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -422.095980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.095980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.095980 (E_RNA)
where:
Base-Base interactions energy: -277.799
where: short stacking energy: -119.905
Base-Backbone interact. energy: -0.331
local terms energy: -143.966343
where:
bonds (distance) C4'-P energy: -30.500
bonds (distance) P-C4' energy: -34.441
flat angles C4'-P-C4' energy: -36.183
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -26.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -257.627275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.627275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.627275 (E_RNA)
where:
Base-Base interactions energy: -135.444
where: short stacking energy: -80.669
Base-Backbone interact. energy: -1.396
local terms energy: -120.787812
where:
bonds (distance) C4'-P energy: -33.300
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -37.439
flat angles P-C4'-P energy: -14.882
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: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -168.101821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.101821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.101821 (E_RNA)
where:
Base-Base interactions energy: -67.709
where: short stacking energy: -54.001
Base-Backbone interact. energy: 0.913
local terms energy: -101.305856
where:
bonds (distance) C4'-P energy: -29.863
bonds (distance) P-C4' energy: -28.021
flat angles C4'-P-C4' energy: -31.020
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: 1.785
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: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -681.703901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.703901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.703901 (E_RNA)
where:
Base-Base interactions energy: -462.853
where: short stacking energy: -200.463
Base-Backbone interact. energy: -0.358
local terms energy: -218.492373
where:
bonds (distance) C4'-P energy: -35.241
bonds (distance) P-C4' energy: -46.142
flat angles C4'-P-C4' energy: -44.619
flat angles P-C4'-P energy: -30.043
tors. eta vs tors. theta energy: -62.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -638.947984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.947984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.947984 (E_RNA)
where:
Base-Base interactions energy: -438.306
where: short stacking energy: -188.671
Base-Backbone interact. energy: -0.780
local terms energy: -199.862347
where:
bonds (distance) C4'-P energy: -33.628
bonds (distance) P-C4' energy: -43.419
flat angles C4'-P-C4' energy: -44.705
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: -54.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -613.639550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.639550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.639550 (E_RNA)
where:
Base-Base interactions energy: -406.658
where: short stacking energy: -171.139
Base-Backbone interact. energy: -0.347
local terms energy: -206.635194
where:
bonds (distance) C4'-P energy: -38.830
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -46.077
flat angles P-C4'-P energy: -30.391
tors. eta vs tors. theta energy: -49.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -554.768772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.768772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.768772 (E_RNA)
where:
Base-Base interactions energy: -388.736
where: short stacking energy: -177.483
Base-Backbone interact. energy: -0.155
local terms energy: -165.877141
where:
bonds (distance) C4'-P energy: -28.032
bonds (distance) P-C4' energy: -26.791
flat angles C4'-P-C4' energy: -39.599
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -49.961
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: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -563.916075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.916075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.916075 (E_RNA)
where:
Base-Base interactions energy: -384.527
where: short stacking energy: -175.135
Base-Backbone interact. energy: -0.879
local terms energy: -178.509412
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -33.372
flat angles C4'-P-C4' energy: -39.213
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -51.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -470.047295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.047295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.047295 (E_RNA)
where:
Base-Base interactions energy: -321.378
where: short stacking energy: -136.377
Base-Backbone interact. energy: -0.737
local terms energy: -147.932777
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -34.304
flat angles C4'-P-C4' energy: -34.913
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -32.737
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: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -479.535270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.535270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.535270 (E_RNA)
where:
Base-Base interactions energy: -324.628
where: short stacking energy: -138.968
Base-Backbone interact. energy: -0.818
local terms energy: -154.089216
where:
bonds (distance) C4'-P energy: -31.294
bonds (distance) P-C4' energy: -34.114
flat angles C4'-P-C4' energy: -32.659
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -35.509
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: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -427.367674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.367674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.367674 (E_RNA)
where:
Base-Base interactions energy: -270.725
where: short stacking energy: -114.826
Base-Backbone interact. energy: -1.462
local terms energy: -155.180855
where:
bonds (distance) C4'-P energy: -31.846
bonds (distance) P-C4' energy: -40.593
flat angles C4'-P-C4' energy: -38.372
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -24.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -296.369457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.369457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.369457 (E_RNA)
where:
Base-Base interactions energy: -163.584
where: short stacking energy: -79.447
Base-Backbone interact. energy: 0.665
local terms energy: -133.450553
where:
bonds (distance) C4'-P energy: -35.132
bonds (distance) P-C4' energy: -34.800
flat angles C4'-P-C4' energy: -36.505
flat angles P-C4'-P energy: -23.506
tors. eta vs tors. theta energy: -3.506
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: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -170.558545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.558545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.558545 (E_RNA)
where:
Base-Base interactions energy: -62.638
where: short stacking energy: -48.053
Base-Backbone interact. energy: 0.514
local terms energy: -108.434516
where:
bonds (distance) C4'-P energy: -38.131
bonds (distance) P-C4' energy: -43.439
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: 14.433
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: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -664.924118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.924118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.924118 (E_RNA)
where:
Base-Base interactions energy: -446.595
where: short stacking energy: -200.250
Base-Backbone interact. energy: -0.011
local terms energy: -218.317498
where:
bonds (distance) C4'-P energy: -39.090
bonds (distance) P-C4' energy: -45.741
flat angles C4'-P-C4' energy: -44.728
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -61.817
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: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -632.488741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.488741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.488741 (E_RNA)
where:
Base-Base interactions energy: -423.451
where: short stacking energy: -185.081
Base-Backbone interact. energy: -0.539
local terms energy: -208.498623
where:
bonds (distance) C4'-P energy: -38.429
bonds (distance) P-C4' energy: -36.614
flat angles C4'-P-C4' energy: -40.355
flat angles P-C4'-P energy: -34.855
tors. eta vs tors. theta energy: -58.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -585.462006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.462006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.462006 (E_RNA)
where:
Base-Base interactions energy: -375.370
where: short stacking energy: -170.081
Base-Backbone interact. energy: -0.626
local terms energy: -209.466598
where:
bonds (distance) C4'-P energy: -40.618
bonds (distance) P-C4' energy: -39.379
flat angles C4'-P-C4' energy: -44.043
flat angles P-C4'-P energy: -27.701
tors. eta vs tors. theta energy: -57.726
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: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -589.602617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.602617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.602617 (E_RNA)
where:
Base-Base interactions energy: -405.138
where: short stacking energy: -178.753
Base-Backbone interact. energy: -0.140
local terms energy: -184.323977
where:
bonds (distance) C4'-P energy: -33.258
bonds (distance) P-C4' energy: -34.633
flat angles C4'-P-C4' energy: -41.824
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -48.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -560.558016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.558016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.558016 (E_RNA)
where:
Base-Base interactions energy: -371.583
where: short stacking energy: -169.053
Base-Backbone interact. energy: -2.955
local terms energy: -186.020301
where:
bonds (distance) C4'-P energy: -32.713
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -39.994
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: -52.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -462.798823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.798823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.798823 (E_RNA)
where:
Base-Base interactions energy: -290.641
where: short stacking energy: -122.250
Base-Backbone interact. energy: -1.201
local terms energy: -170.957190
where:
bonds (distance) C4'-P energy: -39.986
bonds (distance) P-C4' energy: -39.045
flat angles C4'-P-C4' energy: -39.811
flat angles P-C4'-P energy: -31.003
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -451.648187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.648187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.648187 (E_RNA)
where:
Base-Base interactions energy: -292.421
where: short stacking energy: -127.870
Base-Backbone interact. energy: 0.999
local terms energy: -160.226560
where:
bonds (distance) C4'-P energy: -36.623
bonds (distance) P-C4' energy: -40.354
flat angles C4'-P-C4' energy: -35.934
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -25.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -442.784125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.784125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.784125 (E_RNA)
where:
Base-Base interactions energy: -295.382
where: short stacking energy: -122.035
Base-Backbone interact. energy: -0.583
local terms energy: -146.818922
where:
bonds (distance) C4'-P energy: -35.607
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -35.221
flat angles P-C4'-P energy: -25.777
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -268.961387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.961387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.961387 (E_RNA)
where:
Base-Base interactions energy: -150.445
where: short stacking energy: -92.347
Base-Backbone interact. energy: -0.613
local terms energy: -117.902824
where:
bonds (distance) C4'-P energy: -35.700
bonds (distance) P-C4' energy: -34.287
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -14.148
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: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -185.414590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.414590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.414590 (E_RNA)
where:
Base-Base interactions energy: -69.403
where: short stacking energy: -56.045
Base-Backbone interact. energy: -1.558
local terms energy: -114.453469
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -31.619
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -667.365054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.365054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.365054 (E_RNA)
where:
Base-Base interactions energy: -446.807
where: short stacking energy: -198.276
Base-Backbone interact. energy: -0.097
local terms energy: -220.460962
where:
bonds (distance) C4'-P energy: -45.373
bonds (distance) P-C4' energy: -44.010
flat angles C4'-P-C4' energy: -40.055
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: -61.460
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: 215
Temperature: 0.950000
Total energy: -638.649226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.649226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.649226 (E_RNA)
where:
Base-Base interactions energy: -435.785
where: short stacking energy: -193.876
Base-Backbone interact. energy: -2.011
local terms energy: -200.853224
where:
bonds (distance) C4'-P energy: -34.741
bonds (distance) P-C4' energy: -39.523
flat angles C4'-P-C4' energy: -44.695
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -57.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -593.373379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.373379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.373379 (E_RNA)
where:
Base-Base interactions energy: -386.523
where: short stacking energy: -180.726
Base-Backbone interact. energy: -0.276
local terms energy: -206.574258
where:
bonds (distance) C4'-P energy: -36.854
bonds (distance) P-C4' energy: -42.139
flat angles C4'-P-C4' energy: -42.521
flat angles P-C4'-P energy: -27.504
tors. eta vs tors. theta energy: -57.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -581.723749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.723749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.723749 (E_RNA)
where:
Base-Base interactions energy: -396.733
where: short stacking energy: -181.762
Base-Backbone interact. energy: 1.156
local terms energy: -186.146799
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -41.430
flat angles P-C4'-P energy: -30.397
tors. eta vs tors. theta energy: -52.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -537.237611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.237611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.237611 (E_RNA)
where:
Base-Base interactions energy: -352.797
where: short stacking energy: -151.750
Base-Backbone interact. energy: -1.209
local terms energy: -183.231461
where:
bonds (distance) C4'-P energy: -39.468
bonds (distance) P-C4' energy: -33.306
flat angles C4'-P-C4' energy: -39.053
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -46.631
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: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -487.253091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.253091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.253091 (E_RNA)
where:
Base-Base interactions energy: -328.160
where: short stacking energy: -133.742
Base-Backbone interact. energy: 0.108
local terms energy: -159.201718
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -41.609
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -34.086
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: 215
Temperature: 1.200000
Total energy: -456.182147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.182147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.182147 (E_RNA)
where:
Base-Base interactions energy: -307.372
where: short stacking energy: -120.547
Base-Backbone interact. energy: -0.627
local terms energy: -148.183297
where:
bonds (distance) C4'-P energy: -36.701
bonds (distance) P-C4' energy: -33.931
flat angles C4'-P-C4' energy: -37.813
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -19.780
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: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -425.731259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.731259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.731259 (E_RNA)
where:
Base-Base interactions energy: -284.147
where: short stacking energy: -118.342
Base-Backbone interact. energy: -0.529
local terms energy: -141.055714
where:
bonds (distance) C4'-P energy: -34.176
bonds (distance) P-C4' energy: -32.796
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -24.750
tors. eta vs tors. theta energy: -29.993
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: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -287.036178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.036178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.036178 (E_RNA)
where:
Base-Base interactions energy: -173.687
where: short stacking energy: -82.392
Base-Backbone interact. energy: -1.312
local terms energy: -112.037871
where:
bonds (distance) C4'-P energy: -34.732
bonds (distance) P-C4' energy: -36.130
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -166.660881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.660881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.660881 (E_RNA)
where:
Base-Base interactions energy: -45.543
where: short stacking energy: -45.049
Base-Backbone interact. energy: 0.008
local terms energy: -121.125899
where:
bonds (distance) C4'-P energy: -39.362
bonds (distance) P-C4' energy: -36.669
flat angles C4'-P-C4' energy: -30.226
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: 3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -676.555887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.555887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.555887 (E_RNA)
where:
Base-Base interactions energy: -454.186
where: short stacking energy: -191.250
Base-Backbone interact. energy: 0.207
local terms energy: -222.577340
where:
bonds (distance) C4'-P energy: -36.225
bonds (distance) P-C4' energy: -40.320
flat angles C4'-P-C4' energy: -45.682
flat angles P-C4'-P energy: -33.815
tors. eta vs tors. theta energy: -66.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -631.512592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.512592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.512592 (E_RNA)
where:
Base-Base interactions energy: -425.422
where: short stacking energy: -176.253
Base-Backbone interact. energy: -0.740
local terms energy: -205.350691
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -39.195
flat angles C4'-P-C4' energy: -43.053
flat angles P-C4'-P energy: -29.420
tors. eta vs tors. theta energy: -58.706
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: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -600.119946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.119946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.119946 (E_RNA)
where:
Base-Base interactions energy: -400.981
where: short stacking energy: -175.165
Base-Backbone interact. energy: -0.038
local terms energy: -199.101377
where:
bonds (distance) C4'-P energy: -38.598
bonds (distance) P-C4' energy: -40.922
flat angles C4'-P-C4' energy: -40.241
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -54.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -594.049240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.049240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.049240 (E_RNA)
where:
Base-Base interactions energy: -403.704
where: short stacking energy: -172.541
Base-Backbone interact. energy: -0.912
local terms energy: -189.432961
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -37.817
flat angles C4'-P-C4' energy: -39.554
flat angles P-C4'-P energy: -24.511
tors. eta vs tors. theta energy: -53.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -488.067985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.067985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.067985 (E_RNA)
where:
Base-Base interactions energy: -323.151
where: short stacking energy: -150.432
Base-Backbone interact. energy: -1.147
local terms energy: -163.770382
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -31.091
flat angles C4'-P-C4' energy: -38.946
flat angles P-C4'-P energy: -25.096
tors. eta vs tors. theta energy: -39.857
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: 216
Temperature: 1.150000
Total energy: -477.234440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.234440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.234440 (E_RNA)
where:
Base-Base interactions energy: -311.191
where: short stacking energy: -141.755
Base-Backbone interact. energy: -0.217
local terms energy: -165.826370
where:
bonds (distance) C4'-P energy: -32.865
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -37.564
flat angles P-C4'-P energy: -30.913
tors. eta vs tors. theta energy: -29.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -476.121625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.121625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.121625 (E_RNA)
where:
Base-Base interactions energy: -314.689
where: short stacking energy: -123.544
Base-Backbone interact. energy: -1.173
local terms energy: -160.259801
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -31.627
flat angles C4'-P-C4' energy: -37.423
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -40.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -424.456647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.456647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.456647 (E_RNA)
where:
Base-Base interactions energy: -285.160
where: short stacking energy: -112.324
Base-Backbone interact. energy: 4.416
local terms energy: -143.713167
where:
bonds (distance) C4'-P energy: -30.818
bonds (distance) P-C4' energy: -30.968
flat angles C4'-P-C4' energy: -37.139
flat angles P-C4'-P energy: -27.330
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -330.822565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.822565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.822565 (E_RNA)
where:
Base-Base interactions energy: -188.935
where: short stacking energy: -98.582
Base-Backbone interact. energy: -1.549
local terms energy: -140.338173
where:
bonds (distance) C4'-P energy: -38.336
bonds (distance) P-C4' energy: -41.465
flat angles C4'-P-C4' energy: -33.460
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -162.733145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.733145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.733145 (E_RNA)
where:
Base-Base interactions energy: -52.112
where: short stacking energy: -38.504
Base-Backbone interact. energy: -0.791
local terms energy: -109.830131
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -38.642
flat angles C4'-P-C4' energy: -28.228
flat angles P-C4'-P energy: -20.947
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: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -675.478432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.478432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.478432 (E_RNA)
where:
Base-Base interactions energy: -449.662
where: short stacking energy: -197.312
Base-Backbone interact. energy: -0.370
local terms energy: -225.445964
where:
bonds (distance) C4'-P energy: -44.085
bonds (distance) P-C4' energy: -37.688
flat angles C4'-P-C4' energy: -47.856
flat angles P-C4'-P energy: -31.264
tors. eta vs tors. theta energy: -64.553
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: 2, replica: 5
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -608.874621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.874621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.874621 (E_RNA)
where:
Base-Base interactions energy: -410.589
where: short stacking energy: -188.116
Base-Backbone interact. energy: -0.210
local terms energy: -198.074876
where:
bonds (distance) C4'-P energy: -37.875
bonds (distance) P-C4' energy: -46.106
flat angles C4'-P-C4' energy: -35.330
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -54.125
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: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -608.966546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.966546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.966546 (E_RNA)
where:
Base-Base interactions energy: -404.614
where: short stacking energy: -183.231
Base-Backbone interact. energy: 0.060
local terms energy: -204.412207
where:
bonds (distance) C4'-P energy: -36.755
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -46.142
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: -56.269
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: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -600.106586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.106586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.106586 (E_RNA)
where:
Base-Base interactions energy: -397.894
where: short stacking energy: -171.181
Base-Backbone interact. energy: -0.755
local terms energy: -201.457665
where:
bonds (distance) C4'-P energy: -36.721
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -42.534
flat angles P-C4'-P energy: -27.651
tors. eta vs tors. theta energy: -55.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -494.865389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.865389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.865389 (E_RNA)
where:
Base-Base interactions energy: -331.953
where: short stacking energy: -144.333
Base-Backbone interact. energy: -0.678
local terms energy: -162.233901
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -37.547
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -42.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -461.388898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.388898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.388898 (E_RNA)
where:
Base-Base interactions energy: -288.782
where: short stacking energy: -120.947
Base-Backbone interact. energy: -1.151
local terms energy: -171.456714
where:
bonds (distance) C4'-P energy: -36.113
bonds (distance) P-C4' energy: -35.794
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -34.378
tors. eta vs tors. theta energy: -33.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -485.322729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.322729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.322729 (E_RNA)
where:
Base-Base interactions energy: -308.859
where: short stacking energy: -138.132
Base-Backbone interact. energy: -0.439
local terms energy: -176.024109
where:
bonds (distance) C4'-P energy: -36.783
bonds (distance) P-C4' energy: -40.997
flat angles C4'-P-C4' energy: -38.582
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -36.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -429.815747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.815747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.815747 (E_RNA)
where:
Base-Base interactions energy: -278.922
where: short stacking energy: -113.114
Base-Backbone interact. energy: -0.615
local terms energy: -150.278366
where:
bonds (distance) C4'-P energy: -38.745
bonds (distance) P-C4' energy: -40.087
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -22.434
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: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -246.221893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.221893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.221893 (E_RNA)
where:
Base-Base interactions energy: -112.950
where: short stacking energy: -68.201
Base-Backbone interact. energy: -0.940
local terms energy: -132.331768
where:
bonds (distance) C4'-P energy: -30.945
bonds (distance) P-C4' energy: -32.914
flat angles C4'-P-C4' energy: -40.369
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -161.315972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.315972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.315972 (E_RNA)
where:
Base-Base interactions energy: -69.561
where: short stacking energy: -46.123
Base-Backbone interact. energy: -0.912
local terms energy: -90.843058
where:
bonds (distance) C4'-P energy: -33.386
bonds (distance) P-C4' energy: -28.697
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: 14.610
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: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -661.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.386874 (E_RNA)
where:
Base-Base interactions energy: -456.757
where: short stacking energy: -197.083
Base-Backbone interact. energy: -0.130
local terms energy: -204.500596
where:
bonds (distance) C4'-P energy: -37.313
bonds (distance) P-C4' energy: -35.912
flat angles C4'-P-C4' energy: -41.772
flat angles P-C4'-P energy: -31.331
tors. eta vs tors. theta energy: -58.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -617.898688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.898688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.898688 (E_RNA)
where:
Base-Base interactions energy: -420.364
where: short stacking energy: -169.990
Base-Backbone interact. energy: -0.183
local terms energy: -197.351082
where:
bonds (distance) C4'-P energy: -33.635
bonds (distance) P-C4' energy: -39.889
flat angles C4'-P-C4' energy: -47.784
flat angles P-C4'-P energy: -24.651
tors. eta vs tors. theta energy: -51.392
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: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -614.689230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.689230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.689230 (E_RNA)
where:
Base-Base interactions energy: -412.420
where: short stacking energy: -159.801
Base-Backbone interact. energy: -0.848
local terms energy: -201.421991
where:
bonds (distance) C4'-P energy: -41.715
bonds (distance) P-C4' energy: -41.322
flat angles C4'-P-C4' energy: -41.392
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -51.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -587.364841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.364841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.364841 (E_RNA)
where:
Base-Base interactions energy: -396.559
where: short stacking energy: -180.641
Base-Backbone interact. energy: 0.039
local terms energy: -190.844340
where:
bonds (distance) C4'-P energy: -35.221
bonds (distance) P-C4' energy: -28.495
flat angles C4'-P-C4' energy: -39.241
flat angles P-C4'-P energy: -33.648
tors. eta vs tors. theta energy: -54.239
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: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -483.365781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.365781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.365781 (E_RNA)
where:
Base-Base interactions energy: -312.989
where: short stacking energy: -147.834
Base-Backbone interact. energy: -0.623
local terms energy: -169.753905
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -36.153
flat angles C4'-P-C4' energy: -38.696
flat angles P-C4'-P energy: -29.064
tors. eta vs tors. theta energy: -36.060
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: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -466.008766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.008766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.008766 (E_RNA)
where:
Base-Base interactions energy: -307.263
where: short stacking energy: -139.450
Base-Backbone interact. energy: -0.039
local terms energy: -158.706882
where:
bonds (distance) C4'-P energy: -26.089
bonds (distance) P-C4' energy: -33.834
flat angles C4'-P-C4' energy: -38.203
flat angles P-C4'-P energy: -26.879
tors. eta vs tors. theta energy: -33.703
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: 218
Temperature: 1.200000
Total energy: -445.594329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.594329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.594329 (E_RNA)
where:
Base-Base interactions energy: -290.424
where: short stacking energy: -135.523
Base-Backbone interact. energy: -0.757
local terms energy: -154.413671
where:
bonds (distance) C4'-P energy: -34.266
bonds (distance) P-C4' energy: -30.495
flat angles C4'-P-C4' energy: -33.777
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -33.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -399.221010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.221010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.221010 (E_RNA)
where:
Base-Base interactions energy: -257.016
where: short stacking energy: -105.366
Base-Backbone interact. energy: -0.633
local terms energy: -141.571918
where:
bonds (distance) C4'-P energy: -31.898
bonds (distance) P-C4' energy: -30.910
flat angles C4'-P-C4' energy: -33.438
flat angles P-C4'-P energy: -23.435
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: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -239.846128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.846128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.846128 (E_RNA)
where:
Base-Base interactions energy: -115.632
where: short stacking energy: -63.414
Base-Backbone interact. energy: -0.703
local terms energy: -123.510988
where:
bonds (distance) C4'-P energy: -33.924
bonds (distance) P-C4' energy: -26.425
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -12.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -173.906413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.906413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.906413 (E_RNA)
where:
Base-Base interactions energy: -55.724
where: short stacking energy: -47.911
Base-Backbone interact. energy: -0.831
local terms energy: -117.351600
where:
bonds (distance) C4'-P energy: -34.422
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -27.845
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -0.337
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: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -666.536628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.536628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.536628 (E_RNA)
where:
Base-Base interactions energy: -467.721
where: short stacking energy: -202.378
Base-Backbone interact. energy: -0.467
local terms energy: -198.348584
where:
bonds (distance) C4'-P energy: -28.343
bonds (distance) P-C4' energy: -38.860
flat angles C4'-P-C4' energy: -46.640
flat angles P-C4'-P energy: -25.520
tors. eta vs tors. theta energy: -58.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -616.531943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.531943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.531943 (E_RNA)
where:
Base-Base interactions energy: -429.327
where: short stacking energy: -171.594
Base-Backbone interact. energy: 0.953
local terms energy: -188.157360
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -33.724
flat angles C4'-P-C4' energy: -38.446
flat angles P-C4'-P energy: -30.798
tors. eta vs tors. theta energy: -54.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -644.650531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.650531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.650531 (E_RNA)
where:
Base-Base interactions energy: -439.864
where: short stacking energy: -189.223
Base-Backbone interact. energy: -0.961
local terms energy: -203.826208
where:
bonds (distance) C4'-P energy: -32.385
bonds (distance) P-C4' energy: -37.286
flat angles C4'-P-C4' energy: -43.451
flat angles P-C4'-P energy: -30.828
tors. eta vs tors. theta energy: -59.877
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: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -588.927412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.927412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.927412 (E_RNA)
where:
Base-Base interactions energy: -385.550
where: short stacking energy: -171.991
Base-Backbone interact. energy: -0.438
local terms energy: -202.939292
where:
bonds (distance) C4'-P energy: -44.266
bonds (distance) P-C4' energy: -38.469
flat angles C4'-P-C4' energy: -43.774
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -50.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -482.224479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.224479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.224479 (E_RNA)
where:
Base-Base interactions energy: -325.863
where: short stacking energy: -159.341
Base-Backbone interact. energy: -0.725
local terms energy: -155.636596
where:
bonds (distance) C4'-P energy: -29.326
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -35.874
flat angles P-C4'-P energy: -18.439
tors. eta vs tors. theta energy: -41.065
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: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -476.552260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.552260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.552260 (E_RNA)
where:
Base-Base interactions energy: -316.428
where: short stacking energy: -143.000
Base-Backbone interact. energy: 0.983
local terms energy: -161.107239
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -34.012
flat angles C4'-P-C4' energy: -34.168
flat angles P-C4'-P energy: -24.577
tors. eta vs tors. theta energy: -35.034
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: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -455.749903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.749903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.749903 (E_RNA)
where:
Base-Base interactions energy: -303.683
where: short stacking energy: -130.770
Base-Backbone interact. energy: -0.372
local terms energy: -151.695479
where:
bonds (distance) C4'-P energy: -31.918
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -35.420
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -34.694
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: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -445.599208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.599208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.599208 (E_RNA)
where:
Base-Base interactions energy: -296.173
where: short stacking energy: -132.054
Base-Backbone interact. energy: -1.397
local terms energy: -148.029348
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -32.948
flat angles C4'-P-C4' energy: -31.411
flat angles P-C4'-P energy: -20.740
tors. eta vs tors. theta energy: -29.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -264.834561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.834561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.834561 (E_RNA)
where:
Base-Base interactions energy: -141.813
where: short stacking energy: -80.105
Base-Backbone interact. energy: -0.147
local terms energy: -122.874079
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -30.229
flat angles C4'-P-C4' energy: -39.032
flat angles P-C4'-P energy: -18.019
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: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -173.820888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.820888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.820888 (E_RNA)
where:
Base-Base interactions energy: -51.727
where: short stacking energy: -49.606
Base-Backbone interact. energy: -0.569
local terms energy: -121.524262
where:
bonds (distance) C4'-P energy: -27.940
bonds (distance) P-C4' energy: -33.933
flat angles C4'-P-C4' energy: -26.645
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -672.714357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.714357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.714357 (E_RNA)
where:
Base-Base interactions energy: -455.138
where: short stacking energy: -198.262
Base-Backbone interact. energy: -0.293
local terms energy: -217.283667
where:
bonds (distance) C4'-P energy: -39.739
bonds (distance) P-C4' energy: -42.164
flat angles C4'-P-C4' energy: -42.141
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -58.322
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: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -610.704762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.704762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.704762 (E_RNA)
where:
Base-Base interactions energy: -415.903
where: short stacking energy: -181.996
Base-Backbone interact. energy: -0.546
local terms energy: -194.256452
where:
bonds (distance) C4'-P energy: -34.208
bonds (distance) P-C4' energy: -32.290
flat angles C4'-P-C4' energy: -43.345
flat angles P-C4'-P energy: -29.079
tors. eta vs tors. theta energy: -55.334
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: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -603.402921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.402921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.402921 (E_RNA)
where:
Base-Base interactions energy: -397.117
where: short stacking energy: -184.306
Base-Backbone interact. energy: -1.378
local terms energy: -204.907961
where:
bonds (distance) C4'-P energy: -38.524
bonds (distance) P-C4' energy: -42.506
flat angles C4'-P-C4' energy: -42.103
flat angles P-C4'-P energy: -29.328
tors. eta vs tors. theta energy: -52.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -628.249272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.249272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.249272 (E_RNA)
where:
Base-Base interactions energy: -438.116
where: short stacking energy: -181.909
Base-Backbone interact. energy: -0.310
local terms energy: -189.823554
where:
bonds (distance) C4'-P energy: -39.783
bonds (distance) P-C4' energy: -33.481
flat angles C4'-P-C4' energy: -44.303
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -52.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -518.800139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.800139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.800139 (E_RNA)
where:
Base-Base interactions energy: -337.625
where: short stacking energy: -156.613
Base-Backbone interact. energy: -1.084
local terms energy: -180.091586
where:
bonds (distance) C4'-P energy: -39.922
bonds (distance) P-C4' energy: -31.982
flat angles C4'-P-C4' energy: -39.675
flat angles P-C4'-P energy: -25.711
tors. eta vs tors. theta energy: -42.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -474.267980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.267980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.267980 (E_RNA)
where:
Base-Base interactions energy: -314.020
where: short stacking energy: -136.256
Base-Backbone interact. energy: -0.626
local terms energy: -159.621697
where:
bonds (distance) C4'-P energy: -38.166
bonds (distance) P-C4' energy: -36.616
flat angles C4'-P-C4' energy: -36.784
flat angles P-C4'-P energy: -22.967
tors. eta vs tors. theta energy: -25.089
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: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -476.026766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.026766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.026766 (E_RNA)
where:
Base-Base interactions energy: -316.691
where: short stacking energy: -149.960
Base-Backbone interact. energy: 0.744
local terms energy: -160.080551
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -39.319
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -33.780
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: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -433.531117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.531117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.531117 (E_RNA)
where:
Base-Base interactions energy: -285.916
where: short stacking energy: -124.996
Base-Backbone interact. energy: 0.476
local terms energy: -148.091042
where:
bonds (distance) C4'-P energy: -31.648
bonds (distance) P-C4' energy: -35.817
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -25.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -264.081672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.081672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.081672 (E_RNA)
where:
Base-Base interactions energy: -133.635
where: short stacking energy: -76.641
Base-Backbone interact. energy: -0.027
local terms energy: -130.419051
where:
bonds (distance) C4'-P energy: -33.799
bonds (distance) P-C4' energy: -37.642
flat angles C4'-P-C4' energy: -31.252
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -196.581489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.581489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.581489 (E_RNA)
where:
Base-Base interactions energy: -90.310
where: short stacking energy: -46.226
Base-Backbone interact. energy: 1.651
local terms energy: -107.922903
where:
bonds (distance) C4'-P energy: -36.273
bonds (distance) P-C4' energy: -37.439
flat angles C4'-P-C4' energy: -27.505
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: 8.964
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: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -670.324018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.324018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.324018 (E_RNA)
where:
Base-Base interactions energy: -449.371
where: short stacking energy: -196.127
Base-Backbone interact. energy: -1.059
local terms energy: -219.893564
where:
bonds (distance) C4'-P energy: -42.065
bonds (distance) P-C4' energy: -45.779
flat angles C4'-P-C4' energy: -43.508
flat angles P-C4'-P energy: -30.684
tors. eta vs tors. theta energy: -57.858
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: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -620.731256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.731256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.731256 (E_RNA)
where:
Base-Base interactions energy: -415.008
where: short stacking energy: -192.901
Base-Backbone interact. energy: -0.675
local terms energy: -205.048001
where:
bonds (distance) C4'-P energy: -35.275
bonds (distance) P-C4' energy: -38.918
flat angles C4'-P-C4' energy: -41.391
flat angles P-C4'-P energy: -33.279
tors. eta vs tors. theta energy: -56.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -596.804557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.804557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.804557 (E_RNA)
where:
Base-Base interactions energy: -405.680
where: short stacking energy: -183.973
Base-Backbone interact. energy: -1.211
local terms energy: -189.914255
where:
bonds (distance) C4'-P energy: -38.480
bonds (distance) P-C4' energy: -42.978
flat angles C4'-P-C4' energy: -39.852
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -46.336
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: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -595.998795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.998795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.998795 (E_RNA)
where:
Base-Base interactions energy: -401.657
where: short stacking energy: -165.235
Base-Backbone interact. energy: -1.487
local terms energy: -192.854175
where:
bonds (distance) C4'-P energy: -38.097
bonds (distance) P-C4' energy: -36.064
flat angles C4'-P-C4' energy: -42.406
flat angles P-C4'-P energy: -34.653
tors. eta vs tors. theta energy: -41.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -533.744608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.744608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.744608 (E_RNA)
where:
Base-Base interactions energy: -359.389
where: short stacking energy: -160.797
Base-Backbone interact. energy: -0.270
local terms energy: -174.086169
where:
bonds (distance) C4'-P energy: -35.215
bonds (distance) P-C4' energy: -36.196
flat angles C4'-P-C4' energy: -37.915
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -42.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -483.788299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.788299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.788299 (E_RNA)
where:
Base-Base interactions energy: -308.856
where: short stacking energy: -145.432
Base-Backbone interact. energy: 2.166
local terms energy: -177.098010
where:
bonds (distance) C4'-P energy: -35.490
bonds (distance) P-C4' energy: -39.627
flat angles C4'-P-C4' energy: -43.051
flat angles P-C4'-P energy: -28.656
tors. eta vs tors. theta energy: -30.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -496.449591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.449591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.449591 (E_RNA)
where:
Base-Base interactions energy: -334.684
where: short stacking energy: -146.597
Base-Backbone interact. energy: -1.665
local terms energy: -160.100365
where:
bonds (distance) C4'-P energy: -37.784
bonds (distance) P-C4' energy: -37.055
flat angles C4'-P-C4' energy: -35.377
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -34.563
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: 221
Temperature: 1.250000
Total energy: -436.716227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.716227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.716227 (E_RNA)
where:
Base-Base interactions energy: -285.829
where: short stacking energy: -110.635
Base-Backbone interact. energy: 2.677
local terms energy: -153.563934
where:
bonds (distance) C4'-P energy: -32.435
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -37.237
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -28.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -259.640509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.640509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.640509 (E_RNA)
where:
Base-Base interactions energy: -138.252
where: short stacking energy: -71.134
Base-Backbone interact. energy: -0.497
local terms energy: -120.891501
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -41.711
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: -7.026
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: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -204.233117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.233117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.233117 (E_RNA)
where:
Base-Base interactions energy: -92.047
where: short stacking energy: -54.932
Base-Backbone interact. energy: -0.778
local terms energy: -111.408652
where:
bonds (distance) C4'-P energy: -35.168
bonds (distance) P-C4' energy: -27.408
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -9.898
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: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -675.785055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.785055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.785055 (E_RNA)
where:
Base-Base interactions energy: -475.412
where: short stacking energy: -213.612
Base-Backbone interact. energy: -0.164
local terms energy: -200.209166
where:
bonds (distance) C4'-P energy: -33.287
bonds (distance) P-C4' energy: -36.006
flat angles C4'-P-C4' energy: -42.966
flat angles P-C4'-P energy: -29.282
tors. eta vs tors. theta energy: -58.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -617.209675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.209675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.209675 (E_RNA)
where:
Base-Base interactions energy: -424.403
where: short stacking energy: -183.196
Base-Backbone interact. energy: -0.330
local terms energy: -192.476974
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -39.380
flat angles C4'-P-C4' energy: -41.021
flat angles P-C4'-P energy: -25.350
tors. eta vs tors. theta energy: -53.955
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: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -601.093449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.093449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.093449 (E_RNA)
where:
Base-Base interactions energy: -407.342
where: short stacking energy: -165.740
Base-Backbone interact. energy: -0.466
local terms energy: -193.285723
where:
bonds (distance) C4'-P energy: -32.233
bonds (distance) P-C4' energy: -41.810
flat angles C4'-P-C4' energy: -40.694
flat angles P-C4'-P energy: -32.797
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: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -593.970710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.970710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.970710 (E_RNA)
where:
Base-Base interactions energy: -412.546
where: short stacking energy: -156.884
Base-Backbone interact. energy: 0.521
local terms energy: -181.946060
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -36.372
flat angles C4'-P-C4' energy: -40.380
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: -49.930
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: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -501.574449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.574449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.574449 (E_RNA)
where:
Base-Base interactions energy: -321.323
where: short stacking energy: -159.039
Base-Backbone interact. energy: -0.320
local terms energy: -179.931740
where:
bonds (distance) C4'-P energy: -36.348
bonds (distance) P-C4' energy: -36.216
flat angles C4'-P-C4' energy: -38.630
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: -41.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -475.520754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.520754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.520754 (E_RNA)
where:
Base-Base interactions energy: -293.419
where: short stacking energy: -120.278
Base-Backbone interact. energy: -0.696
local terms energy: -181.405604
where:
bonds (distance) C4'-P energy: -38.947
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -39.241
flat angles P-C4'-P energy: -29.897
tors. eta vs tors. theta energy: -36.795
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: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -437.412812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.412812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.412812 (E_RNA)
where:
Base-Base interactions energy: -295.708
where: short stacking energy: -122.283
Base-Backbone interact. energy: -1.419
local terms energy: -140.285631
where:
bonds (distance) C4'-P energy: -30.340
bonds (distance) P-C4' energy: -30.619
flat angles C4'-P-C4' energy: -38.299
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -28.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -444.532081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.532081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.532081 (E_RNA)
where:
Base-Base interactions energy: -294.346
where: short stacking energy: -123.795
Base-Backbone interact. energy: -1.128
local terms energy: -149.058328
where:
bonds (distance) C4'-P energy: -30.389
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -33.256
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -33.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -266.779878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.779878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.779878 (E_RNA)
where:
Base-Base interactions energy: -136.996
where: short stacking energy: -81.350
Base-Backbone interact. energy: 1.788
local terms energy: -131.571536
where:
bonds (distance) C4'-P energy: -31.085
bonds (distance) P-C4' energy: -35.102
flat angles C4'-P-C4' energy: -37.355
flat angles P-C4'-P energy: -17.513
tors. eta vs tors. theta energy: -10.516
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: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -190.636032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.636032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.636032 (E_RNA)
where:
Base-Base interactions energy: -88.745
where: short stacking energy: -51.171
Base-Backbone interact. energy: -1.245
local terms energy: -100.645847
where:
bonds (distance) C4'-P energy: -26.470
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -29.901
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: 0.223
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: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -652.527958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.527958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.527958 (E_RNA)
where:
Base-Base interactions energy: -437.039
where: short stacking energy: -196.291
Base-Backbone interact. energy: -0.042
local terms energy: -215.446646
where:
bonds (distance) C4'-P energy: -39.675
bonds (distance) P-C4' energy: -36.486
flat angles C4'-P-C4' energy: -44.485
flat angles P-C4'-P energy: -36.019
tors. eta vs tors. theta energy: -58.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -602.007324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.007324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.007324 (E_RNA)
where:
Base-Base interactions energy: -419.054
where: short stacking energy: -174.556
Base-Backbone interact. energy: 0.180
local terms energy: -183.132975
where:
bonds (distance) C4'-P energy: -34.429
bonds (distance) P-C4' energy: -43.494
flat angles C4'-P-C4' energy: -36.369
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: -46.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -599.433936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.433936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.433936 (E_RNA)
where:
Base-Base interactions energy: -402.421
where: short stacking energy: -184.463
Base-Backbone interact. energy: 0.106
local terms energy: -197.118714
where:
bonds (distance) C4'-P energy: -36.423
bonds (distance) P-C4' energy: -39.435
flat angles C4'-P-C4' energy: -38.073
flat angles P-C4'-P energy: -32.538
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: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -567.770634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.770634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.770634 (E_RNA)
where:
Base-Base interactions energy: -367.947
where: short stacking energy: -159.857
Base-Backbone interact. energy: -1.020
local terms energy: -198.803563
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -34.649
flat angles C4'-P-C4' energy: -41.386
flat angles P-C4'-P energy: -32.604
tors. eta vs tors. theta energy: -51.742
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: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -507.563811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.563811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.563811 (E_RNA)
where:
Base-Base interactions energy: -319.972
where: short stacking energy: -144.664
Base-Backbone interact. energy: -0.699
local terms energy: -186.892579
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -33.522
flat angles C4'-P-C4' energy: -37.744
flat angles P-C4'-P energy: -33.067
tors. eta vs tors. theta energy: -41.047
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: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -481.235053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.235053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.235053 (E_RNA)
where:
Base-Base interactions energy: -311.877
where: short stacking energy: -143.586
Base-Backbone interact. energy: -0.313
local terms energy: -169.045246
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -43.755
flat angles P-C4'-P energy: -26.658
tors. eta vs tors. theta energy: -34.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -440.348658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.348658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.348658 (E_RNA)
where:
Base-Base interactions energy: -271.489
where: short stacking energy: -111.529
Base-Backbone interact. energy: -1.145
local terms energy: -167.714277
where:
bonds (distance) C4'-P energy: -43.845
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -37.236
flat angles P-C4'-P energy: -23.654
tors. eta vs tors. theta energy: -27.880
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: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -464.591675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.591675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.591675 (E_RNA)
where:
Base-Base interactions energy: -298.121
where: short stacking energy: -136.116
Base-Backbone interact. energy: -0.355
local terms energy: -166.115711
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -37.588
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -22.314
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: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -264.699808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.699808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.699808 (E_RNA)
where:
Base-Base interactions energy: -134.912
where: short stacking energy: -79.863
Base-Backbone interact. energy: -0.575
local terms energy: -129.212683
where:
bonds (distance) C4'-P energy: -31.670
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -23.212
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -177.906479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.906479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.906479 (E_RNA)
where:
Base-Base interactions energy: -62.397
where: short stacking energy: -45.482
Base-Backbone interact. energy: -0.070
local terms energy: -115.439538
where:
bonds (distance) C4'-P energy: -33.853
bonds (distance) P-C4' energy: -36.174
flat angles C4'-P-C4' energy: -35.400
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: 16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -648.249660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.249660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.249660 (E_RNA)
where:
Base-Base interactions energy: -431.265
where: short stacking energy: -186.731
Base-Backbone interact. energy: -0.060
local terms energy: -216.924617
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -46.219
flat angles C4'-P-C4' energy: -44.272
flat angles P-C4'-P energy: -31.040
tors. eta vs tors. theta energy: -62.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -630.981486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.981486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.981486 (E_RNA)
where:
Base-Base interactions energy: -432.983
where: short stacking energy: -188.635
Base-Backbone interact. energy: -0.287
local terms energy: -197.711212
where:
bonds (distance) C4'-P energy: -42.930
bonds (distance) P-C4' energy: -35.690
flat angles C4'-P-C4' energy: -39.921
flat angles P-C4'-P energy: -29.117
tors. eta vs tors. theta energy: -50.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -599.199594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.199594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.199594 (E_RNA)
where:
Base-Base interactions energy: -396.742
where: short stacking energy: -174.372
Base-Backbone interact. energy: -0.478
local terms energy: -201.980079
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -39.753
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -29.592
tors. eta vs tors. theta energy: -54.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -565.647158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.647158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.647158 (E_RNA)
where:
Base-Base interactions energy: -378.634
where: short stacking energy: -158.605
Base-Backbone interact. energy: 1.126
local terms energy: -188.138815
where:
bonds (distance) C4'-P energy: -35.451
bonds (distance) P-C4' energy: -37.835
flat angles C4'-P-C4' energy: -41.718
flat angles P-C4'-P energy: -30.340
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: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -502.746760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.746760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.746760 (E_RNA)
where:
Base-Base interactions energy: -320.874
where: short stacking energy: -139.466
Base-Backbone interact. energy: -0.190
local terms energy: -181.682721
where:
bonds (distance) C4'-P energy: -34.119
bonds (distance) P-C4' energy: -39.680
flat angles C4'-P-C4' energy: -37.806
flat angles P-C4'-P energy: -29.675
tors. eta vs tors. theta energy: -40.403
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: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -468.954743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.954743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.954743 (E_RNA)
where:
Base-Base interactions energy: -314.078
where: short stacking energy: -125.989
Base-Backbone interact. energy: 0.399
local terms energy: -155.275940
where:
bonds (distance) C4'-P energy: -38.440
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -40.495
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -27.235
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: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -488.894496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.894496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.894496 (E_RNA)
where:
Base-Base interactions energy: -339.414
where: short stacking energy: -148.982
Base-Backbone interact. energy: 0.686
local terms energy: -150.166919
where:
bonds (distance) C4'-P energy: -29.413
bonds (distance) P-C4' energy: -29.999
flat angles C4'-P-C4' energy: -34.882
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -37.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -422.807010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.807010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.807010 (E_RNA)
where:
Base-Base interactions energy: -280.518
where: short stacking energy: -112.313
Base-Backbone interact. energy: 0.228
local terms energy: -142.516968
where:
bonds (distance) C4'-P energy: -26.030
bonds (distance) P-C4' energy: -35.033
flat angles C4'-P-C4' energy: -36.959
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -23.265
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: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -272.177961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.177961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.177961 (E_RNA)
where:
Base-Base interactions energy: -125.285
where: short stacking energy: -66.114
Base-Backbone interact. energy: 0.463
local terms energy: -147.356466
where:
bonds (distance) C4'-P energy: -45.509
bonds (distance) P-C4' energy: -35.367
flat angles C4'-P-C4' energy: -29.246
flat angles P-C4'-P energy: -27.259
tors. eta vs tors. theta energy: -9.975
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: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -173.688773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.688773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.688773 (E_RNA)
where:
Base-Base interactions energy: -53.399
where: short stacking energy: -49.377
Base-Backbone interact. energy: 0.616
local terms energy: -120.905395
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -42.152
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: 1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -648.504887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.504887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.504887 (E_RNA)
where:
Base-Base interactions energy: -431.284
where: short stacking energy: -183.185
Base-Backbone interact. energy: -0.608
local terms energy: -216.612486
where:
bonds (distance) C4'-P energy: -44.565
bonds (distance) P-C4' energy: -39.588
flat angles C4'-P-C4' energy: -42.682
flat angles P-C4'-P energy: -30.004
tors. eta vs tors. theta energy: -59.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -633.071699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.071699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.071699 (E_RNA)
where:
Base-Base interactions energy: -429.828
where: short stacking energy: -176.363
Base-Backbone interact. energy: -1.023
local terms energy: -202.220770
where:
bonds (distance) C4'-P energy: -41.978
bonds (distance) P-C4' energy: -37.988
flat angles C4'-P-C4' energy: -42.978
flat angles P-C4'-P energy: -27.012
tors. eta vs tors. theta energy: -52.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -591.086636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.086636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.086636 (E_RNA)
where:
Base-Base interactions energy: -407.279
where: short stacking energy: -174.682
Base-Backbone interact. energy: -0.468
local terms energy: -183.339213
where:
bonds (distance) C4'-P energy: -33.933
bonds (distance) P-C4' energy: -33.604
flat angles C4'-P-C4' energy: -39.703
flat angles P-C4'-P energy: -27.890
tors. eta vs tors. theta energy: -48.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -587.773334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.773334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.773334 (E_RNA)
where:
Base-Base interactions energy: -397.317
where: short stacking energy: -174.700
Base-Backbone interact. energy: -0.441
local terms energy: -190.015455
where:
bonds (distance) C4'-P energy: -36.554
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -42.306
flat angles P-C4'-P energy: -29.264
tors. eta vs tors. theta energy: -49.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -534.545415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.545415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.545415 (E_RNA)
where:
Base-Base interactions energy: -362.511
where: short stacking energy: -162.733
Base-Backbone interact. energy: 0.774
local terms energy: -172.809053
where:
bonds (distance) C4'-P energy: -34.573
bonds (distance) P-C4' energy: -37.246
flat angles C4'-P-C4' energy: -36.446
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -43.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -511.556402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.556402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.556402 (E_RNA)
where:
Base-Base interactions energy: -344.758
where: short stacking energy: -145.199
Base-Backbone interact. energy: 2.326
local terms energy: -169.124198
where:
bonds (distance) C4'-P energy: -28.838
bonds (distance) P-C4' energy: -38.549
flat angles C4'-P-C4' energy: -42.092
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -32.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -470.487794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.487794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.487794 (E_RNA)
where:
Base-Base interactions energy: -324.152
where: short stacking energy: -137.296
Base-Backbone interact. energy: 0.634
local terms energy: -146.970081
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -35.614
flat angles C4'-P-C4' energy: -36.795
flat angles P-C4'-P energy: -22.753
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: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -446.064604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.064604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.064604 (E_RNA)
where:
Base-Base interactions energy: -292.402
where: short stacking energy: -133.151
Base-Backbone interact. energy: -0.215
local terms energy: -153.447453
where:
bonds (distance) C4'-P energy: -31.448
bonds (distance) P-C4' energy: -39.807
flat angles C4'-P-C4' energy: -31.018
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -36.430
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: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -268.411934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.411934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.411934 (E_RNA)
where:
Base-Base interactions energy: -142.501
where: short stacking energy: -91.598
Base-Backbone interact. energy: -1.059
local terms energy: -124.851876
where:
bonds (distance) C4'-P energy: -27.805
bonds (distance) P-C4' energy: -37.255
flat angles C4'-P-C4' energy: -27.489
flat angles P-C4'-P energy: -21.096
tors. eta vs tors. theta energy: -11.207
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: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -189.827803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.827803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.827803 (E_RNA)
where:
Base-Base interactions energy: -84.144
where: short stacking energy: -68.975
Base-Backbone interact. energy: -0.816
local terms energy: -104.867880
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -30.832
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -2.241
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: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -635.283004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.283004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.283004 (E_RNA)
where:
Base-Base interactions energy: -432.328
where: short stacking energy: -184.485
Base-Backbone interact. energy: -1.097
local terms energy: -201.858138
where:
bonds (distance) C4'-P energy: -38.934
bonds (distance) P-C4' energy: -37.387
flat angles C4'-P-C4' energy: -44.798
flat angles P-C4'-P energy: -26.176
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: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -642.528968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.528968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.528968 (E_RNA)
where:
Base-Base interactions energy: -439.657
where: short stacking energy: -198.552
Base-Backbone interact. energy: -0.475
local terms energy: -202.397410
where:
bonds (distance) C4'-P energy: -35.488
bonds (distance) P-C4' energy: -36.491
flat angles C4'-P-C4' energy: -44.362
flat angles P-C4'-P energy: -22.721
tors. eta vs tors. theta energy: -63.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -589.295570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.295570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.295570 (E_RNA)
where:
Base-Base interactions energy: -387.923
where: short stacking energy: -176.734
Base-Backbone interact. energy: -0.486
local terms energy: -200.886671
where:
bonds (distance) C4'-P energy: -35.461
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -41.936
flat angles P-C4'-P energy: -30.561
tors. eta vs tors. theta energy: -50.807
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: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -574.103212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.103212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.103212 (E_RNA)
where:
Base-Base interactions energy: -389.956
where: short stacking energy: -174.490
Base-Backbone interact. energy: -0.201
local terms energy: -183.946105
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -37.010
flat angles C4'-P-C4' energy: -39.855
flat angles P-C4'-P energy: -24.267
tors. eta vs tors. theta energy: -50.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -545.610105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.610105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.610105 (E_RNA)
where:
Base-Base interactions energy: -358.743
where: short stacking energy: -168.285
Base-Backbone interact. energy: -0.094
local terms energy: -186.773215
where:
bonds (distance) C4'-P energy: -38.444
bonds (distance) P-C4' energy: -38.053
flat angles C4'-P-C4' energy: -34.478
flat angles P-C4'-P energy: -28.982
tors. eta vs tors. theta energy: -46.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -497.892011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.892011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.892011 (E_RNA)
where:
Base-Base interactions energy: -347.304
where: short stacking energy: -138.880
Base-Backbone interact. energy: -0.461
local terms energy: -150.127193
where:
bonds (distance) C4'-P energy: -30.120
bonds (distance) P-C4' energy: -33.622
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -25.699
tors. eta vs tors. theta energy: -33.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -451.449234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.449234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.449234 (E_RNA)
where:
Base-Base interactions energy: -282.926
where: short stacking energy: -126.851
Base-Backbone interact. energy: -1.239
local terms energy: -167.284128
where:
bonds (distance) C4'-P energy: -32.557
bonds (distance) P-C4' energy: -38.994
flat angles C4'-P-C4' energy: -42.922
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -31.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -430.704270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.704270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.704270 (E_RNA)
where:
Base-Base interactions energy: -289.888
where: short stacking energy: -120.315
Base-Backbone interact. energy: -1.128
local terms energy: -139.688534
where:
bonds (distance) C4'-P energy: -26.285
bonds (distance) P-C4' energy: -33.674
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -21.669
tors. eta vs tors. theta energy: -30.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -260.019596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.019596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.019596 (E_RNA)
where:
Base-Base interactions energy: -139.452
where: short stacking energy: -86.258
Base-Backbone interact. energy: -0.352
local terms energy: -120.215880
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -38.247
flat angles C4'-P-C4' energy: -30.300
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -5.265
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: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -177.733520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.733520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.733520 (E_RNA)
where:
Base-Base interactions energy: -65.009
where: short stacking energy: -56.118
Base-Backbone interact. energy: 1.527
local terms energy: -114.252287
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -29.876
flat angles C4'-P-C4' energy: -33.835
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: 1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -625.380273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.380273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.380273 (E_RNA)
where:
Base-Base interactions energy: -426.301
where: short stacking energy: -176.380
Base-Backbone interact. energy: -0.504
local terms energy: -198.575537
where:
bonds (distance) C4'-P energy: -43.084
bonds (distance) P-C4' energy: -34.424
flat angles C4'-P-C4' energy: -40.036
flat angles P-C4'-P energy: -26.900
tors. eta vs tors. theta energy: -54.132
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: 227
Temperature: 0.950000
Total energy: -649.067892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.067892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.067892 (E_RNA)
where:
Base-Base interactions energy: -433.072
where: short stacking energy: -196.966
Base-Backbone interact. energy: -0.242
local terms energy: -215.754488
where:
bonds (distance) C4'-P energy: -40.829
bonds (distance) P-C4' energy: -38.655
flat angles C4'-P-C4' energy: -44.518
flat angles P-C4'-P energy: -31.599
tors. eta vs tors. theta energy: -60.153
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: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -589.980061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.980061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.980061 (E_RNA)
where:
Base-Base interactions energy: -384.815
where: short stacking energy: -176.640
Base-Backbone interact. energy: -0.537
local terms energy: -204.628018
where:
bonds (distance) C4'-P energy: -40.761
bonds (distance) P-C4' energy: -40.382
flat angles C4'-P-C4' energy: -42.205
flat angles P-C4'-P energy: -28.613
tors. eta vs tors. theta energy: -52.668
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: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -571.438674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.438674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.438674 (E_RNA)
where:
Base-Base interactions energy: -391.935
where: short stacking energy: -158.239
Base-Backbone interact. energy: -0.655
local terms energy: -178.848945
where:
bonds (distance) C4'-P energy: -35.329
bonds (distance) P-C4' energy: -39.694
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -25.592
tors. eta vs tors. theta energy: -47.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -518.553490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.553490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.553490 (E_RNA)
where:
Base-Base interactions energy: -332.027
where: short stacking energy: -152.816
Base-Backbone interact. energy: -0.218
local terms energy: -186.308046
where:
bonds (distance) C4'-P energy: -31.969
bonds (distance) P-C4' energy: -42.686
flat angles C4'-P-C4' energy: -40.686
flat angles P-C4'-P energy: -30.052
tors. eta vs tors. theta energy: -40.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -537.031174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.031174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.031174 (E_RNA)
where:
Base-Base interactions energy: -371.845
where: short stacking energy: -149.244
Base-Backbone interact. energy: -0.555
local terms energy: -164.630910
where:
bonds (distance) C4'-P energy: -30.995
bonds (distance) P-C4' energy: -32.285
flat angles C4'-P-C4' energy: -38.464
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: -35.898
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: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -459.447185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.447185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.447185 (E_RNA)
where:
Base-Base interactions energy: -294.701
where: short stacking energy: -132.370
Base-Backbone interact. energy: -0.579
local terms energy: -164.166800
where:
bonds (distance) C4'-P energy: -31.677
bonds (distance) P-C4' energy: -34.082
flat angles C4'-P-C4' energy: -33.655
flat angles P-C4'-P energy: -28.555
tors. eta vs tors. theta energy: -36.197
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: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -441.012854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.012854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.012854 (E_RNA)
where:
Base-Base interactions energy: -295.671
where: short stacking energy: -119.815
Base-Backbone interact. energy: 0.347
local terms energy: -145.689327
where:
bonds (distance) C4'-P energy: -25.514
bonds (distance) P-C4' energy: -35.993
flat angles C4'-P-C4' energy: -35.606
flat angles P-C4'-P energy: -22.694
tors. eta vs tors. theta energy: -25.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -267.091190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.091190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.091190 (E_RNA)
where:
Base-Base interactions energy: -154.067
where: short stacking energy: -90.087
Base-Backbone interact. energy: -1.137
local terms energy: -111.887340
where:
bonds (distance) C4'-P energy: -34.035
bonds (distance) P-C4' energy: -24.175
flat angles C4'-P-C4' energy: -33.472
flat angles P-C4'-P energy: -15.215
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: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -170.958177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.958177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.958177 (E_RNA)
where:
Base-Base interactions energy: -60.378
where: short stacking energy: -40.528
Base-Backbone interact. energy: 2.155
local terms energy: -112.734666
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -38.308
flat angles C4'-P-C4' energy: -32.694
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: 2.804
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: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -662.187771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.187771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.187771 (E_RNA)
where:
Base-Base interactions energy: -442.636
where: short stacking energy: -199.113
Base-Backbone interact. energy: 0.616
local terms energy: -220.168128
where:
bonds (distance) C4'-P energy: -42.010
bonds (distance) P-C4' energy: -41.219
flat angles C4'-P-C4' energy: -48.146
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -60.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -611.636916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.636916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.636916 (E_RNA)
where:
Base-Base interactions energy: -422.671
where: short stacking energy: -185.428
Base-Backbone interact. energy: -0.177
local terms energy: -188.788256
where:
bonds (distance) C4'-P energy: -34.687
bonds (distance) P-C4' energy: -35.548
flat angles C4'-P-C4' energy: -40.422
flat angles P-C4'-P energy: -25.240
tors. eta vs tors. theta energy: -52.891
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: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -600.601707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.601707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.601707 (E_RNA)
where:
Base-Base interactions energy: -398.393
where: short stacking energy: -175.688
Base-Backbone interact. energy: -0.907
local terms energy: -201.301531
where:
bonds (distance) C4'-P energy: -35.736
bonds (distance) P-C4' energy: -36.624
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -26.743
tors. eta vs tors. theta energy: -53.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -570.744595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.744595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.744595 (E_RNA)
where:
Base-Base interactions energy: -390.742
where: short stacking energy: -155.072
Base-Backbone interact. energy: -1.338
local terms energy: -178.664657
where:
bonds (distance) C4'-P energy: -28.078
bonds (distance) P-C4' energy: -37.273
flat angles C4'-P-C4' energy: -39.788
flat angles P-C4'-P energy: -29.992
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: 5, replica: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -532.423044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.423044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.423044 (E_RNA)
where:
Base-Base interactions energy: -359.344
where: short stacking energy: -148.021
Base-Backbone interact. energy: 0.722
local terms energy: -173.801585
where:
bonds (distance) C4'-P energy: -46.853
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -38.295
flat angles P-C4'-P energy: -23.717
tors. eta vs tors. theta energy: -31.989
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: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -522.817958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.817958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.817958 (E_RNA)
where:
Base-Base interactions energy: -359.488
where: short stacking energy: -157.889
Base-Backbone interact. energy: -0.417
local terms energy: -162.913313
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -38.860
flat angles C4'-P-C4' energy: -38.066
flat angles P-C4'-P energy: -23.538
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: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -472.349580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.349580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.349580 (E_RNA)
where:
Base-Base interactions energy: -315.493
where: short stacking energy: -140.609
Base-Backbone interact. energy: 0.051
local terms energy: -156.908181
where:
bonds (distance) C4'-P energy: -29.751
bonds (distance) P-C4' energy: -39.693
flat angles C4'-P-C4' energy: -33.453
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -28.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -412.372526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.372526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.372526 (E_RNA)
where:
Base-Base interactions energy: -267.726
where: short stacking energy: -115.108
Base-Backbone interact. energy: -0.842
local terms energy: -143.804621
where:
bonds (distance) C4'-P energy: -27.905
bonds (distance) P-C4' energy: -37.274
flat angles C4'-P-C4' energy: -34.661
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -23.095
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: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -267.549977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.549977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.549977 (E_RNA)
where:
Base-Base interactions energy: -146.535
where: short stacking energy: -89.203
Base-Backbone interact. energy: 0.324
local terms energy: -121.339218
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -40.194
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -177.252682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.252682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.252682 (E_RNA)
where:
Base-Base interactions energy: -77.513
where: short stacking energy: -53.373
Base-Backbone interact. energy: -0.198
local terms energy: -99.542491
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: 2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -666.048842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.048842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.048842 (E_RNA)
where:
Base-Base interactions energy: -447.833
where: short stacking energy: -205.088
Base-Backbone interact. energy: -0.109
local terms energy: -218.106460
where:
bonds (distance) C4'-P energy: -37.713
bonds (distance) P-C4' energy: -41.536
flat angles C4'-P-C4' energy: -43.872
flat angles P-C4'-P energy: -30.377
tors. eta vs tors. theta energy: -64.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -625.755588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.755588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.755588 (E_RNA)
where:
Base-Base interactions energy: -425.727
where: short stacking energy: -174.658
Base-Backbone interact. energy: -0.492
local terms energy: -199.536584
where:
bonds (distance) C4'-P energy: -29.777
bonds (distance) P-C4' energy: -40.830
flat angles C4'-P-C4' energy: -41.274
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -54.064
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: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -621.538243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.538243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.538243 (E_RNA)
where:
Base-Base interactions energy: -423.007
where: short stacking energy: -184.190
Base-Backbone interact. energy: 0.355
local terms energy: -198.887163
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -32.431
flat angles C4'-P-C4' energy: -44.933
flat angles P-C4'-P energy: -33.821
tors. eta vs tors. theta energy: -56.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -582.551179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.551179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.551179 (E_RNA)
where:
Base-Base interactions energy: -388.102
where: short stacking energy: -156.765
Base-Backbone interact. energy: -0.808
local terms energy: -193.641394
where:
bonds (distance) C4'-P energy: -33.829
bonds (distance) P-C4' energy: -40.873
flat angles C4'-P-C4' energy: -42.769
flat angles P-C4'-P energy: -30.624
tors. eta vs tors. theta energy: -45.546
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: 229
Temperature: 1.100000
Total energy: -519.370761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.370761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.370761 (E_RNA)
where:
Base-Base interactions energy: -354.325
where: short stacking energy: -141.356
Base-Backbone interact. energy: -0.585
local terms energy: -164.461269
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -41.082
flat angles C4'-P-C4' energy: -35.526
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -36.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -499.032740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.032740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.032740 (E_RNA)
where:
Base-Base interactions energy: -337.810
where: short stacking energy: -142.657
Base-Backbone interact. energy: -0.852
local terms energy: -160.370909
where:
bonds (distance) C4'-P energy: -29.573
bonds (distance) P-C4' energy: -36.272
flat angles C4'-P-C4' energy: -34.893
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -39.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -476.971481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.971481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.971481 (E_RNA)
where:
Base-Base interactions energy: -323.853
where: short stacking energy: -141.892
Base-Backbone interact. energy: -0.250
local terms energy: -152.867657
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -37.921
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -32.663
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: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -388.450134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.450134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.450134 (E_RNA)
where:
Base-Base interactions energy: -246.511
where: short stacking energy: -118.910
Base-Backbone interact. energy: 0.442
local terms energy: -142.381776
where:
bonds (distance) C4'-P energy: -29.472
bonds (distance) P-C4' energy: -34.921
flat angles C4'-P-C4' energy: -33.857
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: -21.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -268.989499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.989499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.989499 (E_RNA)
where:
Base-Base interactions energy: -136.666
where: short stacking energy: -67.504
Base-Backbone interact. energy: 0.513
local terms energy: -132.836518
where:
bonds (distance) C4'-P energy: -36.642
bonds (distance) P-C4' energy: -34.172
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -27.561
tors. eta vs tors. theta energy: -7.339
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: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -173.631491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.631491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.631491 (E_RNA)
where:
Base-Base interactions energy: -54.725
where: short stacking energy: -48.609
Base-Backbone interact. energy: -0.465
local terms energy: -118.440616
where:
bonds (distance) C4'-P energy: -35.302
bonds (distance) P-C4' energy: -40.207
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: 1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -670.433738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.433738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.433738 (E_RNA)
where:
Base-Base interactions energy: -454.410
where: short stacking energy: -202.168
Base-Backbone interact. energy: -0.024
local terms energy: -215.999688
where:
bonds (distance) C4'-P energy: -36.745
bonds (distance) P-C4' energy: -40.073
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -32.077
tors. eta vs tors. theta energy: -60.234
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: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -614.853320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.853320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.853320 (E_RNA)
where:
Base-Base interactions energy: -418.079
where: short stacking energy: -177.306
Base-Backbone interact. energy: -0.091
local terms energy: -196.683957
where:
bonds (distance) C4'-P energy: -37.792
bonds (distance) P-C4' energy: -38.834
flat angles C4'-P-C4' energy: -43.548
flat angles P-C4'-P energy: -26.400
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: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -609.921097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.921097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.921097 (E_RNA)
where:
Base-Base interactions energy: -400.353
where: short stacking energy: -171.583
Base-Backbone interact. energy: -0.029
local terms energy: -209.538897
where:
bonds (distance) C4'-P energy: -42.094
bonds (distance) P-C4' energy: -39.922
flat angles C4'-P-C4' energy: -47.069
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -56.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -572.378994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.378994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.378994 (E_RNA)
where:
Base-Base interactions energy: -383.816
where: short stacking energy: -179.394
Base-Backbone interact. energy: -0.651
local terms energy: -187.911994
where:
bonds (distance) C4'-P energy: -38.702
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -42.375
flat angles P-C4'-P energy: -29.646
tors. eta vs tors. theta energy: -48.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -503.388221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.388221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.388221 (E_RNA)
where:
Base-Base interactions energy: -327.308
where: short stacking energy: -147.099
Base-Backbone interact. energy: -1.178
local terms energy: -174.902169
where:
bonds (distance) C4'-P energy: -34.897
bonds (distance) P-C4' energy: -37.698
flat angles C4'-P-C4' energy: -40.455
flat angles P-C4'-P energy: -26.395
tors. eta vs tors. theta energy: -35.458
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: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -513.864460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.864460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.864460 (E_RNA)
where:
Base-Base interactions energy: -334.357
where: short stacking energy: -145.876
Base-Backbone interact. energy: 0.785
local terms energy: -180.293019
where:
bonds (distance) C4'-P energy: -31.334
bonds (distance) P-C4' energy: -41.491
flat angles C4'-P-C4' energy: -40.575
flat angles P-C4'-P energy: -30.819
tors. eta vs tors. theta energy: -36.075
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: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -455.612575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.612575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.612575 (E_RNA)
where:
Base-Base interactions energy: -307.403
where: short stacking energy: -136.582
Base-Backbone interact. energy: -0.563
local terms energy: -147.646249
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -39.519
flat angles C4'-P-C4' energy: -33.068
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -30.753
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: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -389.675733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.675733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.675733 (E_RNA)
where:
Base-Base interactions energy: -237.463
where: short stacking energy: -114.470
Base-Backbone interact. energy: -0.922
local terms energy: -151.290958
where:
bonds (distance) C4'-P energy: -33.798
bonds (distance) P-C4' energy: -37.325
flat angles C4'-P-C4' energy: -31.320
flat angles P-C4'-P energy: -24.643
tors. eta vs tors. theta energy: -24.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -282.885178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.885178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.885178 (E_RNA)
where:
Base-Base interactions energy: -152.609
where: short stacking energy: -80.626
Base-Backbone interact. energy: -0.403
local terms energy: -129.873039
where:
bonds (distance) C4'-P energy: -34.298
bonds (distance) P-C4' energy: -35.348
flat angles C4'-P-C4' energy: -26.434
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -14.407
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: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -170.271101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.271101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.271101 (E_RNA)
where:
Base-Base interactions energy: -63.896
where: short stacking energy: -47.454
Base-Backbone interact. energy: 0.049
local terms energy: -106.423969
where:
bonds (distance) C4'-P energy: -34.743
bonds (distance) P-C4' energy: -38.973
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -667.897312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.897312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.897312 (E_RNA)
where:
Base-Base interactions energy: -457.404
where: short stacking energy: -199.474
Base-Backbone interact. energy: -1.210
local terms energy: -209.283826
where:
bonds (distance) C4'-P energy: -36.165
bonds (distance) P-C4' energy: -41.227
flat angles C4'-P-C4' energy: -42.299
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -61.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -630.925664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.925664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.925664 (E_RNA)
where:
Base-Base interactions energy: -416.873
where: short stacking energy: -185.773
Base-Backbone interact. energy: -2.400
local terms energy: -211.652669
where:
bonds (distance) C4'-P energy: -37.435
bonds (distance) P-C4' energy: -41.787
flat angles C4'-P-C4' energy: -48.042
flat angles P-C4'-P energy: -27.616
tors. eta vs tors. theta energy: -56.772
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: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -591.803320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.803320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.803320 (E_RNA)
where:
Base-Base interactions energy: -401.921
where: short stacking energy: -165.509
Base-Backbone interact. energy: -0.878
local terms energy: -189.004254
where:
bonds (distance) C4'-P energy: -31.918
bonds (distance) P-C4' energy: -35.675
flat angles C4'-P-C4' energy: -44.488
flat angles P-C4'-P energy: -27.988
tors. eta vs tors. theta energy: -48.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -529.820655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.820655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.820655 (E_RNA)
where:
Base-Base interactions energy: -333.265
where: short stacking energy: -166.256
Base-Backbone interact. energy: -0.150
local terms energy: -196.405977
where:
bonds (distance) C4'-P energy: -37.436
bonds (distance) P-C4' energy: -41.151
flat angles C4'-P-C4' energy: -42.764
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -44.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -563.717161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.717161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.717161 (E_RNA)
where:
Base-Base interactions energy: -392.614
where: short stacking energy: -157.168
Base-Backbone interact. energy: -0.606
local terms energy: -170.497042
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -32.511
flat angles C4'-P-C4' energy: -38.571
flat angles P-C4'-P energy: -23.163
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: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -523.270624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.270624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.270624 (E_RNA)
where:
Base-Base interactions energy: -357.949
where: short stacking energy: -137.551
Base-Backbone interact. energy: -3.054
local terms energy: -162.267654
where:
bonds (distance) C4'-P energy: -36.006
bonds (distance) P-C4' energy: -35.412
flat angles C4'-P-C4' energy: -37.630
flat angles P-C4'-P energy: -24.384
tors. eta vs tors. theta energy: -28.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -443.134303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.134303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.134303 (E_RNA)
where:
Base-Base interactions energy: -298.082
where: short stacking energy: -127.193
Base-Backbone interact. energy: -0.457
local terms energy: -144.595592
where:
bonds (distance) C4'-P energy: -36.515
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -22.435
tors. eta vs tors. theta energy: -26.477
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: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -374.218063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.218063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.218063 (E_RNA)
where:
Base-Base interactions energy: -233.263
where: short stacking energy: -107.877
Base-Backbone interact. energy: -0.938
local terms energy: -140.016685
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -34.391
flat angles P-C4'-P energy: -26.055
tors. eta vs tors. theta energy: -20.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -255.144411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.144411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.144411 (E_RNA)
where:
Base-Base interactions energy: -138.211
where: short stacking energy: -78.399
Base-Backbone interact. energy: -3.018
local terms energy: -113.915221
where:
bonds (distance) C4'-P energy: -34.184
bonds (distance) P-C4' energy: -36.046
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -4.200
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: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -174.379329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.379329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.379329 (E_RNA)
where:
Base-Base interactions energy: -64.429
where: short stacking energy: -56.041
Base-Backbone interact. energy: 1.624
local terms energy: -111.573994
where:
bonds (distance) C4'-P energy: -34.318
bonds (distance) P-C4' energy: -32.871
flat angles C4'-P-C4' energy: -27.509
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -2.628
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: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -668.983460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.983460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.983460 (E_RNA)
where:
Base-Base interactions energy: -446.578
where: short stacking energy: -206.083
Base-Backbone interact. energy: 0.636
local terms energy: -223.041066
where:
bonds (distance) C4'-P energy: -42.535
bonds (distance) P-C4' energy: -37.466
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -63.989
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: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -605.317563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.317563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.317563 (E_RNA)
where:
Base-Base interactions energy: -411.309
where: short stacking energy: -192.628
Base-Backbone interact. energy: -0.786
local terms energy: -193.222256
where:
bonds (distance) C4'-P energy: -34.084
bonds (distance) P-C4' energy: -32.142
flat angles C4'-P-C4' energy: -43.701
flat angles P-C4'-P energy: -30.770
tors. eta vs tors. theta energy: -52.525
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: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -602.882802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.882802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.882802 (E_RNA)
where:
Base-Base interactions energy: -416.284
where: short stacking energy: -171.372
Base-Backbone interact. energy: 0.998
local terms energy: -187.596047
where:
bonds (distance) C4'-P energy: -36.355
bonds (distance) P-C4' energy: -34.524
flat angles C4'-P-C4' energy: -38.953
flat angles P-C4'-P energy: -26.719
tors. eta vs tors. theta energy: -51.044
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: 4, replica: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -553.986203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.986203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.986203 (E_RNA)
where:
Base-Base interactions energy: -372.919
where: short stacking energy: -171.153
Base-Backbone interact. energy: -0.440
local terms energy: -180.626285
where:
bonds (distance) C4'-P energy: -30.877
bonds (distance) P-C4' energy: -37.215
flat angles C4'-P-C4' energy: -41.212
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -47.480
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: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -509.785154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.785154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.785154 (E_RNA)
where:
Base-Base interactions energy: -348.724
where: short stacking energy: -148.303
Base-Backbone interact. energy: -0.488
local terms energy: -160.573337
where:
bonds (distance) C4'-P energy: -35.187
bonds (distance) P-C4' energy: -27.891
flat angles C4'-P-C4' energy: -37.439
flat angles P-C4'-P energy: -26.562
tors. eta vs tors. theta energy: -33.494
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: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -507.459928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.459928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.459928 (E_RNA)
where:
Base-Base interactions energy: -360.686
where: short stacking energy: -138.249
Base-Backbone interact. energy: 0.806
local terms energy: -147.579659
where:
bonds (distance) C4'-P energy: -37.735
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -28.738
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -30.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -475.014123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.014123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.014123 (E_RNA)
where:
Base-Base interactions energy: -308.663
where: short stacking energy: -137.764
Base-Backbone interact. energy: -0.401
local terms energy: -165.950145
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -36.252
flat angles C4'-P-C4' energy: -34.833
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: -39.200
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: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -348.081892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.081892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.081892 (E_RNA)
where:
Base-Base interactions energy: -208.426
where: short stacking energy: -87.331
Base-Backbone interact. energy: -0.544
local terms energy: -139.111717
where:
bonds (distance) C4'-P energy: -36.325
bonds (distance) P-C4' energy: -38.190
flat angles C4'-P-C4' energy: -26.958
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: -12.864
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: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -255.586590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.586590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.586590 (E_RNA)
where:
Base-Base interactions energy: -129.993
where: short stacking energy: -63.677
Base-Backbone interact. energy: -0.874
local terms energy: -124.719757
where:
bonds (distance) C4'-P energy: -32.736
bonds (distance) P-C4' energy: -37.258
flat angles C4'-P-C4' energy: -29.602
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -233.621635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.621635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.621635 (E_RNA)
where:
Base-Base interactions energy: -118.757
where: short stacking energy: -66.032
Base-Backbone interact. energy: -0.440
local terms energy: -114.424816
where:
bonds (distance) C4'-P energy: -32.753
bonds (distance) P-C4' energy: -31.774
flat angles C4'-P-C4' energy: -29.903
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -3.097
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: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -666.022708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.022708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.022708 (E_RNA)
where:
Base-Base interactions energy: -451.140
where: short stacking energy: -190.834
Base-Backbone interact. energy: -0.479
local terms energy: -214.403818
where:
bonds (distance) C4'-P energy: -40.871
bonds (distance) P-C4' energy: -38.074
flat angles C4'-P-C4' energy: -45.659
flat angles P-C4'-P energy: -28.361
tors. eta vs tors. theta energy: -61.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -608.292480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.292480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.292480 (E_RNA)
where:
Base-Base interactions energy: -412.671
where: short stacking energy: -178.990
Base-Backbone interact. energy: -0.105
local terms energy: -195.516636
where:
bonds (distance) C4'-P energy: -40.072
bonds (distance) P-C4' energy: -37.571
flat angles C4'-P-C4' energy: -42.229
flat angles P-C4'-P energy: -25.871
tors. eta vs tors. theta energy: -49.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -612.864474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.864474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.864474 (E_RNA)
where:
Base-Base interactions energy: -400.032
where: short stacking energy: -181.414
Base-Backbone interact. energy: -0.754
local terms energy: -212.079035
where:
bonds (distance) C4'-P energy: -41.417
bonds (distance) P-C4' energy: -41.099
flat angles C4'-P-C4' energy: -40.672
flat angles P-C4'-P energy: -32.266
tors. eta vs tors. theta energy: -56.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -499.830601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.830601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.830601 (E_RNA)
where:
Base-Base interactions energy: -318.674
where: short stacking energy: -159.583
Base-Backbone interact. energy: -0.911
local terms energy: -180.245436
where:
bonds (distance) C4'-P energy: -33.576
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -37.920
flat angles P-C4'-P energy: -22.171
tors. eta vs tors. theta energy: -50.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -535.418592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.418592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.418592 (E_RNA)
where:
Base-Base interactions energy: -356.712
where: short stacking energy: -159.695
Base-Backbone interact. energy: -0.067
local terms energy: -178.640316
where:
bonds (distance) C4'-P energy: -38.149
bonds (distance) P-C4' energy: -37.283
flat angles C4'-P-C4' energy: -40.168
flat angles P-C4'-P energy: -20.813
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: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -560.626225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.626225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.626225 (E_RNA)
where:
Base-Base interactions energy: -379.575
where: short stacking energy: -152.859
Base-Backbone interact. energy: 2.484
local terms energy: -183.535373
where:
bonds (distance) C4'-P energy: -34.089
bonds (distance) P-C4' energy: -39.049
flat angles C4'-P-C4' energy: -41.545
flat angles P-C4'-P energy: -28.097
tors. eta vs tors. theta energy: -40.756
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: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -467.156312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.156312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.156312 (E_RNA)
where:
Base-Base interactions energy: -323.493
where: short stacking energy: -133.173
Base-Backbone interact. energy: -0.451
local terms energy: -143.213014
where:
bonds (distance) C4'-P energy: -33.600
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -24.458
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: 233
Temperature: 1.250000
Total energy: -399.707307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.707307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.707307 (E_RNA)
where:
Base-Base interactions energy: -276.010
where: short stacking energy: -119.915
Base-Backbone interact. energy: -0.918
local terms energy: -122.779065
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -38.898
flat angles P-C4'-P energy: -19.685
tors. eta vs tors. theta energy: -22.745
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: 9, replica: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -271.910783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.910783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.910783 (E_RNA)
where:
Base-Base interactions energy: -153.102
where: short stacking energy: -81.944
Base-Backbone interact. energy: -0.487
local terms energy: -118.321359
where:
bonds (distance) C4'-P energy: -31.140
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -15.081
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: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -256.690129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.690129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.690129 (E_RNA)
where:
Base-Base interactions energy: -150.015
where: short stacking energy: -67.345
Base-Backbone interact. energy: -1.148
local terms energy: -105.527032
where:
bonds (distance) C4'-P energy: -34.802
bonds (distance) P-C4' energy: -27.843
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -671.554703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.554703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.554703 (E_RNA)
where:
Base-Base interactions energy: -467.854
where: short stacking energy: -202.063
Base-Backbone interact. energy: -0.673
local terms energy: -203.027165
where:
bonds (distance) C4'-P energy: -35.666
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -41.600
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: -61.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -629.966052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.966052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.966052 (E_RNA)
where:
Base-Base interactions energy: -423.570
where: short stacking energy: -181.107
Base-Backbone interact. energy: -1.441
local terms energy: -204.954243
where:
bonds (distance) C4'-P energy: -37.108
bonds (distance) P-C4' energy: -35.119
flat angles C4'-P-C4' energy: -46.341
flat angles P-C4'-P energy: -26.934
tors. eta vs tors. theta energy: -59.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -611.603148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.603148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.603148 (E_RNA)
where:
Base-Base interactions energy: -412.607
where: short stacking energy: -181.809
Base-Backbone interact. energy: -2.553
local terms energy: -196.442514
where:
bonds (distance) C4'-P energy: -38.229
bonds (distance) P-C4' energy: -32.167
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -33.676
tors. eta vs tors. theta energy: -58.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -510.385118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.385118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.385118 (E_RNA)
where:
Base-Base interactions energy: -312.378
where: short stacking energy: -166.262
Base-Backbone interact. energy: -0.616
local terms energy: -197.391298
where:
bonds (distance) C4'-P energy: -37.898
bonds (distance) P-C4' energy: -40.410
flat angles C4'-P-C4' energy: -41.987
flat angles P-C4'-P energy: -30.360
tors. eta vs tors. theta energy: -46.737
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: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -556.276255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.276255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.276255 (E_RNA)
where:
Base-Base interactions energy: -391.740
where: short stacking energy: -165.229
Base-Backbone interact. energy: -0.163
local terms energy: -164.373100
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -33.294
flat angles C4'-P-C4' energy: -30.166
flat angles P-C4'-P energy: -27.397
tors. eta vs tors. theta energy: -47.011
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: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -488.732956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.732956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.732956 (E_RNA)
where:
Base-Base interactions energy: -324.770
where: short stacking energy: -139.593
Base-Backbone interact. energy: -0.153
local terms energy: -163.809170
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -31.950
flat angles C4'-P-C4' energy: -44.613
flat angles P-C4'-P energy: -24.220
tors. eta vs tors. theta energy: -27.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -485.149211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.149211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.149211 (E_RNA)
where:
Base-Base interactions energy: -318.512
where: short stacking energy: -137.533
Base-Backbone interact. energy: -1.257
local terms energy: -165.380756
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -35.696
flat angles C4'-P-C4' energy: -36.173
flat angles P-C4'-P energy: -22.593
tors. eta vs tors. theta energy: -41.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -405.611603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.611603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.611603 (E_RNA)
where:
Base-Base interactions energy: -265.924
where: short stacking energy: -113.867
Base-Backbone interact. energy: -1.218
local terms energy: -138.469886
where:
bonds (distance) C4'-P energy: -34.672
bonds (distance) P-C4' energy: -34.635
flat angles C4'-P-C4' energy: -30.642
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -261.756418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.756418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.756418 (E_RNA)
where:
Base-Base interactions energy: -138.544
where: short stacking energy: -75.520
Base-Backbone interact. energy: -1.936
local terms energy: -121.276610
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -38.326
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -252.880833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.880833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.880833 (E_RNA)
where:
Base-Base interactions energy: -125.933
where: short stacking energy: -68.483
Base-Backbone interact. energy: 0.977
local terms energy: -127.925488
where:
bonds (distance) C4'-P energy: -36.386
bonds (distance) P-C4' energy: -33.759
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -24.170
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -666.392645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.392645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.392645 (E_RNA)
where:
Base-Base interactions energy: -453.146
where: short stacking energy: -202.121
Base-Backbone interact. energy: -0.118
local terms energy: -213.128509
where:
bonds (distance) C4'-P energy: -37.495
bonds (distance) P-C4' energy: -45.269
flat angles C4'-P-C4' energy: -43.556
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -62.375
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: 235
Temperature: 0.950000
Total energy: -617.344216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.344216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.344216 (E_RNA)
where:
Base-Base interactions energy: -416.724
where: short stacking energy: -177.188
Base-Backbone interact. energy: -0.022
local terms energy: -200.597996
where:
bonds (distance) C4'-P energy: -32.747
bonds (distance) P-C4' energy: -46.418
flat angles C4'-P-C4' energy: -42.991
flat angles P-C4'-P energy: -29.916
tors. eta vs tors. theta energy: -48.525
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: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -610.372627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.372627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.372627 (E_RNA)
where:
Base-Base interactions energy: -411.071
where: short stacking energy: -182.620
Base-Backbone interact. energy: -0.794
local terms energy: -198.507998
where:
bonds (distance) C4'-P energy: -40.351
bonds (distance) P-C4' energy: -37.917
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -28.537
tors. eta vs tors. theta energy: -56.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -553.760517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.760517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.760517 (E_RNA)
where:
Base-Base interactions energy: -376.718
where: short stacking energy: -160.858
Base-Backbone interact. energy: -0.828
local terms energy: -176.214113
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -34.892
flat angles C4'-P-C4' energy: -40.857
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -39.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -489.210344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.210344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.210344 (E_RNA)
where:
Base-Base interactions energy: -322.604
where: short stacking energy: -141.712
Base-Backbone interact. energy: -0.524
local terms energy: -166.081961
where:
bonds (distance) C4'-P energy: -34.811
bonds (distance) P-C4' energy: -33.951
flat angles C4'-P-C4' energy: -31.974
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -42.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -461.928663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.928663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.928663 (E_RNA)
where:
Base-Base interactions energy: -292.043
where: short stacking energy: -122.703
Base-Backbone interact. energy: -0.212
local terms energy: -169.673154
where:
bonds (distance) C4'-P energy: -34.093
bonds (distance) P-C4' energy: -39.832
flat angles C4'-P-C4' energy: -39.854
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -27.867
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: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -464.125859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.125859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.125859 (E_RNA)
where:
Base-Base interactions energy: -293.215
where: short stacking energy: -140.481
Base-Backbone interact. energy: -1.224
local terms energy: -169.686751
where:
bonds (distance) C4'-P energy: -38.094
bonds (distance) P-C4' energy: -36.157
flat angles C4'-P-C4' energy: -41.622
flat angles P-C4'-P energy: -23.573
tors. eta vs tors. theta energy: -30.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -432.663865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.663865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.663865 (E_RNA)
where:
Base-Base interactions energy: -282.597
where: short stacking energy: -124.655
Base-Backbone interact. energy: -1.790
local terms energy: -148.277393
where:
bonds (distance) C4'-P energy: -32.567
bonds (distance) P-C4' energy: -39.484
flat angles C4'-P-C4' energy: -31.879
flat angles P-C4'-P energy: -23.542
tors. eta vs tors. theta energy: -20.805
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: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -274.123312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.123312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.123312 (E_RNA)
where:
Base-Base interactions energy: -148.045
where: short stacking energy: -92.071
Base-Backbone interact. energy: -0.441
local terms energy: -125.636790
where:
bonds (distance) C4'-P energy: -32.753
bonds (distance) P-C4' energy: -28.324
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -240.791860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.791860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.791860 (E_RNA)
where:
Base-Base interactions energy: -121.146
where: short stacking energy: -68.199
Base-Backbone interact. energy: -0.632
local terms energy: -119.014064
where:
bonds (distance) C4'-P energy: -32.737
bonds (distance) P-C4' energy: -36.426
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -26.380
tors. eta vs tors. theta energy: 1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -673.178816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.178816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.178816 (E_RNA)
where:
Base-Base interactions energy: -455.259
where: short stacking energy: -202.001
Base-Backbone interact. energy: -0.497
local terms energy: -217.423209
where:
bonds (distance) C4'-P energy: -35.077
bonds (distance) P-C4' energy: -43.845
flat angles C4'-P-C4' energy: -47.103
flat angles P-C4'-P energy: -26.252
tors. eta vs tors. theta energy: -65.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -630.181224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.181224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.181224 (E_RNA)
where:
Base-Base interactions energy: -428.097
where: short stacking energy: -177.160
Base-Backbone interact. energy: 1.018
local terms energy: -203.102161
where:
bonds (distance) C4'-P energy: -34.788
bonds (distance) P-C4' energy: -37.838
flat angles C4'-P-C4' energy: -47.614
flat angles P-C4'-P energy: -32.531
tors. eta vs tors. theta energy: -50.331
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: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -558.509437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.509437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.509437 (E_RNA)
where:
Base-Base interactions energy: -373.044
where: short stacking energy: -151.546
Base-Backbone interact. energy: -0.233
local terms energy: -185.232346
where:
bonds (distance) C4'-P energy: -46.757
bonds (distance) P-C4' energy: -32.867
flat angles C4'-P-C4' energy: -40.145
flat angles P-C4'-P energy: -29.830
tors. eta vs tors. theta energy: -35.633
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: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -568.407035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.407035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.407035 (E_RNA)
where:
Base-Base interactions energy: -387.114
where: short stacking energy: -180.426
Base-Backbone interact. energy: -0.464
local terms energy: -180.829003
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -26.782
flat angles C4'-P-C4' energy: -34.383
flat angles P-C4'-P energy: -29.576
tors. eta vs tors. theta energy: -59.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -506.052045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.052045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.052045 (E_RNA)
where:
Base-Base interactions energy: -322.199
where: short stacking energy: -155.957
Base-Backbone interact. energy: -0.172
local terms energy: -183.680553
where:
bonds (distance) C4'-P energy: -30.612
bonds (distance) P-C4' energy: -36.437
flat angles C4'-P-C4' energy: -45.129
flat angles P-C4'-P energy: -23.664
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: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -491.904662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.904662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.904662 (E_RNA)
where:
Base-Base interactions energy: -327.406
where: short stacking energy: -140.193
Base-Backbone interact. energy: 0.571
local terms energy: -165.070055
where:
bonds (distance) C4'-P energy: -35.707
bonds (distance) P-C4' energy: -39.174
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -35.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -442.516413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.516413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.516413 (E_RNA)
where:
Base-Base interactions energy: -294.196
where: short stacking energy: -131.420
Base-Backbone interact. energy: -1.686
local terms energy: -146.635131
where:
bonds (distance) C4'-P energy: -33.269
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -32.173
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -23.458
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: 236
Temperature: 1.250000
Total energy: -419.123983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.123983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.123983 (E_RNA)
where:
Base-Base interactions energy: -259.486
where: short stacking energy: -122.791
Base-Backbone interact. energy: -0.341
local terms energy: -159.296742
where:
bonds (distance) C4'-P energy: -37.913
bonds (distance) P-C4' energy: -29.195
flat angles C4'-P-C4' energy: -40.764
flat angles P-C4'-P energy: -21.291
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: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -284.848473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.848473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.848473 (E_RNA)
where:
Base-Base interactions energy: -176.470
where: short stacking energy: -80.933
Base-Backbone interact. energy: -0.272
local terms energy: -108.106536
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -246.298976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.298976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.298976 (E_RNA)
where:
Base-Base interactions energy: -127.087
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.982
local terms energy: -118.229499
where:
bonds (distance) C4'-P energy: -38.199
bonds (distance) P-C4' energy: -27.171
flat angles C4'-P-C4' energy: -35.933
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: 1.713
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: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -661.841490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.841490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.841490 (E_RNA)
where:
Base-Base interactions energy: -449.529
where: short stacking energy: -195.541
Base-Backbone interact. energy: -0.345
local terms energy: -211.967774
where:
bonds (distance) C4'-P energy: -37.811
bonds (distance) P-C4' energy: -35.010
flat angles C4'-P-C4' energy: -45.245
flat angles P-C4'-P energy: -31.272
tors. eta vs tors. theta energy: -62.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -627.943356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.943356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.943356 (E_RNA)
where:
Base-Base interactions energy: -424.089
where: short stacking energy: -179.669
Base-Backbone interact. energy: -0.720
local terms energy: -203.134038
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -44.536
flat angles C4'-P-C4' energy: -42.785
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -55.527
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: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -572.983543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.983543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.983543 (E_RNA)
where:
Base-Base interactions energy: -377.732
where: short stacking energy: -170.344
Base-Backbone interact. energy: -0.603
local terms energy: -194.648330
where:
bonds (distance) C4'-P energy: -30.257
bonds (distance) P-C4' energy: -41.379
flat angles C4'-P-C4' energy: -45.990
flat angles P-C4'-P energy: -32.893
tors. eta vs tors. theta energy: -44.130
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: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -531.686829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.686829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.686829 (E_RNA)
where:
Base-Base interactions energy: -344.755
where: short stacking energy: -152.318
Base-Backbone interact. energy: -0.628
local terms energy: -186.303745
where:
bonds (distance) C4'-P energy: -37.476
bonds (distance) P-C4' energy: -40.878
flat angles C4'-P-C4' energy: -44.751
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -45.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -491.194660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.194660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.194660 (E_RNA)
where:
Base-Base interactions energy: -312.533
where: short stacking energy: -152.604
Base-Backbone interact. energy: -0.041
local terms energy: -178.620740
where:
bonds (distance) C4'-P energy: -36.391
bonds (distance) P-C4' energy: -42.306
flat angles C4'-P-C4' energy: -34.929
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -46.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -459.861521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.861521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.861521 (E_RNA)
where:
Base-Base interactions energy: -295.588
where: short stacking energy: -133.611
Base-Backbone interact. energy: 0.705
local terms energy: -164.978936
where:
bonds (distance) C4'-P energy: -31.508
bonds (distance) P-C4' energy: -36.770
flat angles C4'-P-C4' energy: -38.894
flat angles P-C4'-P energy: -31.880
tors. eta vs tors. theta energy: -25.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -456.000206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.000206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.000206 (E_RNA)
where:
Base-Base interactions energy: -296.728
where: short stacking energy: -136.371
Base-Backbone interact. energy: 4.159
local terms energy: -163.430776
where:
bonds (distance) C4'-P energy: -37.798
bonds (distance) P-C4' energy: -40.192
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -27.549
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: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -381.704991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.704991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.704991 (E_RNA)
where:
Base-Base interactions energy: -227.031
where: short stacking energy: -94.651
Base-Backbone interact. energy: 0.674
local terms energy: -155.348232
where:
bonds (distance) C4'-P energy: -35.721
bonds (distance) P-C4' energy: -40.417
flat angles C4'-P-C4' energy: -27.924
flat angles P-C4'-P energy: -26.538
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: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -268.830166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.830166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.830166 (E_RNA)
where:
Base-Base interactions energy: -140.411
where: short stacking energy: -75.569
Base-Backbone interact. energy: 0.484
local terms energy: -128.902783
where:
bonds (distance) C4'-P energy: -32.755
bonds (distance) P-C4' energy: -30.037
flat angles C4'-P-C4' energy: -32.118
flat angles P-C4'-P energy: -20.550
tors. eta vs tors. theta energy: -13.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -258.919163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.919163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.919163 (E_RNA)
where:
Base-Base interactions energy: -143.588
where: short stacking energy: -82.252
Base-Backbone interact. energy: 1.992
local terms energy: -117.322398
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -29.479
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -22.629
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: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -670.234813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.234813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.234813 (E_RNA)
where:
Base-Base interactions energy: -458.304
where: short stacking energy: -199.966
Base-Backbone interact. energy: -1.506
local terms energy: -210.425527
where:
bonds (distance) C4'-P energy: -36.027
bonds (distance) P-C4' energy: -43.460
flat angles C4'-P-C4' energy: -41.112
flat angles P-C4'-P energy: -31.726
tors. eta vs tors. theta energy: -58.101
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: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -632.878834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.878834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.878834 (E_RNA)
where:
Base-Base interactions energy: -435.543
where: short stacking energy: -189.913
Base-Backbone interact. energy: 0.090
local terms energy: -197.426437
where:
bonds (distance) C4'-P energy: -35.235
bonds (distance) P-C4' energy: -33.135
flat angles C4'-P-C4' energy: -44.245
flat angles P-C4'-P energy: -28.085
tors. eta vs tors. theta energy: -56.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -559.576268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.576268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.576268 (E_RNA)
where:
Base-Base interactions energy: -357.029
where: short stacking energy: -179.886
Base-Backbone interact. energy: -0.077
local terms energy: -202.469990
where:
bonds (distance) C4'-P energy: -36.155
bonds (distance) P-C4' energy: -45.296
flat angles C4'-P-C4' energy: -35.248
flat angles P-C4'-P energy: -28.004
tors. eta vs tors. theta energy: -57.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -548.253382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.253382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.253382 (E_RNA)
where:
Base-Base interactions energy: -372.445
where: short stacking energy: -169.574
Base-Backbone interact. energy: -0.109
local terms energy: -175.699586
where:
bonds (distance) C4'-P energy: -37.343
bonds (distance) P-C4' energy: -32.313
flat angles C4'-P-C4' energy: -38.688
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -42.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -539.400441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.400441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.400441 (E_RNA)
where:
Base-Base interactions energy: -356.753
where: short stacking energy: -165.996
Base-Backbone interact. energy: -1.305
local terms energy: -181.342103
where:
bonds (distance) C4'-P energy: -30.422
bonds (distance) P-C4' energy: -29.549
flat angles C4'-P-C4' energy: -41.016
flat angles P-C4'-P energy: -28.951
tors. eta vs tors. theta energy: -51.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -466.130193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.130193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.130193 (E_RNA)
where:
Base-Base interactions energy: -327.363
where: short stacking energy: -151.969
Base-Backbone interact. energy: -0.435
local terms energy: -138.331630
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -29.476
flat angles C4'-P-C4' energy: -38.364
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: -31.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -438.499685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.499685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.499685 (E_RNA)
where:
Base-Base interactions energy: -293.465
where: short stacking energy: -117.255
Base-Backbone interact. energy: -0.858
local terms energy: -144.177382
where:
bonds (distance) C4'-P energy: -38.329
bonds (distance) P-C4' energy: -34.909
flat angles C4'-P-C4' energy: -33.321
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -20.032
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: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -480.742728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.742728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.742728 (E_RNA)
where:
Base-Base interactions energy: -307.328
where: short stacking energy: -134.680
Base-Backbone interact. energy: -0.298
local terms energy: -173.116051
where:
bonds (distance) C4'-P energy: -45.395
bonds (distance) P-C4' energy: -34.497
flat angles C4'-P-C4' energy: -35.679
flat angles P-C4'-P energy: -27.124
tors. eta vs tors. theta energy: -30.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -244.704737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.704737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.704737 (E_RNA)
where:
Base-Base interactions energy: -127.880
where: short stacking energy: -57.079
Base-Backbone interact. energy: 1.833
local terms energy: -118.657940
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -31.923
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -8.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -263.544643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.544643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.544643 (E_RNA)
where:
Base-Base interactions energy: -152.080
where: short stacking energy: -84.867
Base-Backbone interact. energy: -0.639
local terms energy: -110.825466
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -667.068366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.068366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.068366 (E_RNA)
where:
Base-Base interactions energy: -461.517
where: short stacking energy: -199.753
Base-Backbone interact. energy: -0.424
local terms energy: -205.127788
where:
bonds (distance) C4'-P energy: -35.169
bonds (distance) P-C4' energy: -35.233
flat angles C4'-P-C4' energy: -45.317
flat angles P-C4'-P energy: -28.103
tors. eta vs tors. theta energy: -61.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -609.970098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.970098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.970098 (E_RNA)
where:
Base-Base interactions energy: -397.593
where: short stacking energy: -181.043
Base-Backbone interact. energy: 0.513
local terms energy: -212.890027
where:
bonds (distance) C4'-P energy: -42.147
bonds (distance) P-C4' energy: -40.664
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -30.966
tors. eta vs tors. theta energy: -56.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -597.618703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.618703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.618703 (E_RNA)
where:
Base-Base interactions energy: -407.882
where: short stacking energy: -184.474
Base-Backbone interact. energy: 0.781
local terms energy: -190.517433
where:
bonds (distance) C4'-P energy: -38.588
bonds (distance) P-C4' energy: -27.048
flat angles C4'-P-C4' energy: -39.036
flat angles P-C4'-P energy: -29.872
tors. eta vs tors. theta energy: -55.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -563.442087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.442087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.442087 (E_RNA)
where:
Base-Base interactions energy: -370.389
where: short stacking energy: -167.690
Base-Backbone interact. energy: 0.748
local terms energy: -193.801119
where:
bonds (distance) C4'-P energy: -36.844
bonds (distance) P-C4' energy: -38.202
flat angles C4'-P-C4' energy: -38.780
flat angles P-C4'-P energy: -34.183
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: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -546.186316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.186316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.186316 (E_RNA)
where:
Base-Base interactions energy: -371.428
where: short stacking energy: -162.736
Base-Backbone interact. energy: 0.853
local terms energy: -175.610874
where:
bonds (distance) C4'-P energy: -32.345
bonds (distance) P-C4' energy: -38.607
flat angles C4'-P-C4' energy: -38.843
flat angles P-C4'-P energy: -20.750
tors. eta vs tors. theta energy: -45.066
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: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -465.460173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.460173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.460173 (E_RNA)
where:
Base-Base interactions energy: -301.571
where: short stacking energy: -143.262
Base-Backbone interact. energy: -0.400
local terms energy: -163.488474
where:
bonds (distance) C4'-P energy: -32.894
bonds (distance) P-C4' energy: -39.811
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -23.076
tors. eta vs tors. theta energy: -33.291
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: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -436.557558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.557558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.557558 (E_RNA)
where:
Base-Base interactions energy: -276.162
where: short stacking energy: -112.470
Base-Backbone interact. energy: -0.089
local terms energy: -160.307002
where:
bonds (distance) C4'-P energy: -35.372
bonds (distance) P-C4' energy: -43.314
flat angles C4'-P-C4' energy: -36.525
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -24.034
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: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -465.057878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.057878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.057878 (E_RNA)
where:
Base-Base interactions energy: -303.427
where: short stacking energy: -135.313
Base-Backbone interact. energy: 2.186
local terms energy: -163.817356
where:
bonds (distance) C4'-P energy: -35.070
bonds (distance) P-C4' energy: -29.986
flat angles C4'-P-C4' energy: -36.069
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -38.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -176.530620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.530620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.530620 (E_RNA)
where:
Base-Base interactions energy: -61.806
where: short stacking energy: -50.275
Base-Backbone interact. energy: 0.039
local terms energy: -114.763136
where:
bonds (distance) C4'-P energy: -39.551
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -34.500
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: 1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -265.158298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.158298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.158298 (E_RNA)
where:
Base-Base interactions energy: -129.784
where: short stacking energy: -73.800
Base-Backbone interact. energy: -0.182
local terms energy: -135.192824
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -39.082
flat angles C4'-P-C4' energy: -30.136
flat angles P-C4'-P energy: -28.636
tors. eta vs tors. theta energy: -10.209
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: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -660.848107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.848107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.848107 (E_RNA)
where:
Base-Base interactions energy: -458.247
where: short stacking energy: -195.960
Base-Backbone interact. energy: -0.261
local terms energy: -202.340486
where:
bonds (distance) C4'-P energy: -36.655
bonds (distance) P-C4' energy: -38.479
flat angles C4'-P-C4' energy: -46.187
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -58.017
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: 240
Temperature: 0.950000
Total energy: -641.251166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.251166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.251166 (E_RNA)
where:
Base-Base interactions energy: -430.934
where: short stacking energy: -187.234
Base-Backbone interact. energy: -0.025
local terms energy: -210.291824
where:
bonds (distance) C4'-P energy: -41.791
bonds (distance) P-C4' energy: -39.718
flat angles C4'-P-C4' energy: -46.447
flat angles P-C4'-P energy: -30.182
tors. eta vs tors. theta energy: -52.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -596.256487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.256487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.256487 (E_RNA)
where:
Base-Base interactions energy: -392.349
where: short stacking energy: -191.448
Base-Backbone interact. energy: -0.239
local terms energy: -203.668564
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -46.505
flat angles P-C4'-P energy: -33.783
tors. eta vs tors. theta energy: -58.393
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: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -546.522452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.522452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.522452 (E_RNA)
where:
Base-Base interactions energy: -383.029
where: short stacking energy: -157.280
Base-Backbone interact. energy: -0.787
local terms energy: -162.707216
where:
bonds (distance) C4'-P energy: -35.812
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -36.346
flat angles P-C4'-P energy: -27.948
tors. eta vs tors. theta energy: -29.928
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: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -558.328964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.328964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.328964 (E_RNA)
where:
Base-Base interactions energy: -359.261
where: short stacking energy: -166.291
Base-Backbone interact. energy: -1.452
local terms energy: -197.615946
where:
bonds (distance) C4'-P energy: -38.880
bonds (distance) P-C4' energy: -42.873
flat angles C4'-P-C4' energy: -43.236
flat angles P-C4'-P energy: -26.915
tors. eta vs tors. theta energy: -45.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -428.441171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.441171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.441171 (E_RNA)
where:
Base-Base interactions energy: -271.786
where: short stacking energy: -122.264
Base-Backbone interact. energy: 0.180
local terms energy: -156.834816
where:
bonds (distance) C4'-P energy: -29.133
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -36.899
flat angles P-C4'-P energy: -24.365
tors. eta vs tors. theta energy: -26.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -451.367392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.367392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.367392 (E_RNA)
where:
Base-Base interactions energy: -302.030
where: short stacking energy: -127.366
Base-Backbone interact. energy: -1.817
local terms energy: -147.520008
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -35.665
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -23.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -444.696813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.696813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.696813 (E_RNA)
where:
Base-Base interactions energy: -284.876
where: short stacking energy: -124.449
Base-Backbone interact. energy: -0.191
local terms energy: -159.630215
where:
bonds (distance) C4'-P energy: -31.239
bonds (distance) P-C4' energy: -40.458
flat angles C4'-P-C4' energy: -35.327
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -37.771
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: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -273.032675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.032675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.032675 (E_RNA)
where:
Base-Base interactions energy: -137.228
where: short stacking energy: -79.763
Base-Backbone interact. energy: -0.036
local terms energy: -135.768492
where:
bonds (distance) C4'-P energy: -36.931
bonds (distance) P-C4' energy: -35.035
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -14.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -225.909595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.909595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.909595 (E_RNA)
where:
Base-Base interactions energy: -123.447
where: short stacking energy: -72.244
Base-Backbone interact. energy: 0.901
local terms energy: -103.363349
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -36.200
flat angles C4'-P-C4' energy: -31.592
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -0.511
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: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -665.889029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.889029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.889029 (E_RNA)
where:
Base-Base interactions energy: -458.080
where: short stacking energy: -201.841
Base-Backbone interact. energy: -1.006
local terms energy: -206.802633
where:
bonds (distance) C4'-P energy: -34.725
bonds (distance) P-C4' energy: -39.738
flat angles C4'-P-C4' energy: -44.024
flat angles P-C4'-P energy: -26.777
tors. eta vs tors. theta energy: -61.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -653.917267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.917267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.917267 (E_RNA)
where:
Base-Base interactions energy: -442.884
where: short stacking energy: -182.125
Base-Backbone interact. energy: -0.525
local terms energy: -210.507678
where:
bonds (distance) C4'-P energy: -39.115
bonds (distance) P-C4' energy: -40.294
flat angles C4'-P-C4' energy: -48.753
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -56.439
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: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -588.891199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.891199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.891199 (E_RNA)
where:
Base-Base interactions energy: -383.004
where: short stacking energy: -177.871
Base-Backbone interact. energy: -0.035
local terms energy: -205.851751
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -44.354
flat angles P-C4'-P energy: -28.292
tors. eta vs tors. theta energy: -58.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -523.332952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.332952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.332952 (E_RNA)
where:
Base-Base interactions energy: -355.039
where: short stacking energy: -156.704
Base-Backbone interact. energy: 0.250
local terms energy: -168.543498
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -37.434
flat angles C4'-P-C4' energy: -42.000
flat angles P-C4'-P energy: -30.519
tors. eta vs tors. theta energy: -26.471
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: 241
Temperature: 1.100000
Total energy: -497.995123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.995123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.995123 (E_RNA)
where:
Base-Base interactions energy: -323.934
where: short stacking energy: -138.729
Base-Backbone interact. energy: -1.071
local terms energy: -172.990369
where:
bonds (distance) C4'-P energy: -38.995
bonds (distance) P-C4' energy: -36.148
flat angles C4'-P-C4' energy: -39.907
flat angles P-C4'-P energy: -19.756
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: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -489.922256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.922256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.922256 (E_RNA)
where:
Base-Base interactions energy: -319.235
where: short stacking energy: -128.723
Base-Backbone interact. energy: -1.248
local terms energy: -169.439126
where:
bonds (distance) C4'-P energy: -35.813
bonds (distance) P-C4' energy: -41.122
flat angles C4'-P-C4' energy: -34.008
flat angles P-C4'-P energy: -30.071
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -405.932221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.932221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.932221 (E_RNA)
where:
Base-Base interactions energy: -251.719
where: short stacking energy: -128.217
Base-Backbone interact. energy: -0.925
local terms energy: -153.288614
where:
bonds (distance) C4'-P energy: -27.864
bonds (distance) P-C4' energy: -35.207
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -29.762
tors. eta vs tors. theta energy: -23.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -453.195584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.195584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.195584 (E_RNA)
where:
Base-Base interactions energy: -281.093
where: short stacking energy: -126.131
Base-Backbone interact. energy: 0.079
local terms energy: -172.181688
where:
bonds (distance) C4'-P energy: -40.638
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -31.752
tors. eta vs tors. theta energy: -31.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -262.447120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.447120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.447120 (E_RNA)
where:
Base-Base interactions energy: -142.375
where: short stacking energy: -70.131
Base-Backbone interact. energy: 5.801
local terms energy: -125.873301
where:
bonds (distance) C4'-P energy: -31.991
bonds (distance) P-C4' energy: -34.651
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -6.548
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: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -221.463225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.463225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.463225 (E_RNA)
where:
Base-Base interactions energy: -113.769
where: short stacking energy: -63.863
Base-Backbone interact. energy: -0.928
local terms energy: -106.765984
where:
bonds (distance) C4'-P energy: -24.923
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -24.257
flat angles P-C4'-P energy: -26.801
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -649.489523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.489523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.489523 (E_RNA)
where:
Base-Base interactions energy: -438.244
where: short stacking energy: -185.749
Base-Backbone interact. energy: -0.975
local terms energy: -210.270556
where:
bonds (distance) C4'-P energy: -34.153
bonds (distance) P-C4' energy: -44.501
flat angles C4'-P-C4' energy: -46.960
flat angles P-C4'-P energy: -28.941
tors. eta vs tors. theta energy: -55.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -644.423346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.423346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.423346 (E_RNA)
where:
Base-Base interactions energy: -440.394
where: short stacking energy: -197.510
Base-Backbone interact. energy: -0.345
local terms energy: -203.684234
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -34.051
flat angles C4'-P-C4' energy: -43.858
flat angles P-C4'-P energy: -22.751
tors. eta vs tors. theta energy: -65.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -593.667310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.667310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.667310 (E_RNA)
where:
Base-Base interactions energy: -387.974
where: short stacking energy: -170.961
Base-Backbone interact. energy: -0.531
local terms energy: -205.161647
where:
bonds (distance) C4'-P energy: -36.410
bonds (distance) P-C4' energy: -37.128
flat angles C4'-P-C4' energy: -46.656
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -54.390
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: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -501.641650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.641650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.641650 (E_RNA)
where:
Base-Base interactions energy: -334.098
where: short stacking energy: -159.812
Base-Backbone interact. energy: 1.667
local terms energy: -169.210892
where:
bonds (distance) C4'-P energy: -35.187
bonds (distance) P-C4' energy: -27.881
flat angles C4'-P-C4' energy: -41.987
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -33.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -490.486005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.486005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.486005 (E_RNA)
where:
Base-Base interactions energy: -322.371
where: short stacking energy: -141.941
Base-Backbone interact. energy: 0.120
local terms energy: -168.235079
where:
bonds (distance) C4'-P energy: -28.281
bonds (distance) P-C4' energy: -37.560
flat angles C4'-P-C4' energy: -41.790
flat angles P-C4'-P energy: -30.181
tors. eta vs tors. theta energy: -30.423
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: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -490.337539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.337539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.337539 (E_RNA)
where:
Base-Base interactions energy: -325.959
where: short stacking energy: -133.546
Base-Backbone interact. energy: -0.358
local terms energy: -164.021275
where:
bonds (distance) C4'-P energy: -34.329
bonds (distance) P-C4' energy: -32.997
flat angles C4'-P-C4' energy: -40.792
flat angles P-C4'-P energy: -19.672
tors. eta vs tors. theta energy: -36.232
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: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -455.170378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.170378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.170378 (E_RNA)
where:
Base-Base interactions energy: -296.233
where: short stacking energy: -131.708
Base-Backbone interact. energy: -0.648
local terms energy: -158.289783
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -37.409
flat angles C4'-P-C4' energy: -41.003
flat angles P-C4'-P energy: -24.108
tors. eta vs tors. theta energy: -28.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -452.481215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.481215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.481215 (E_RNA)
where:
Base-Base interactions energy: -296.397
where: short stacking energy: -134.840
Base-Backbone interact. energy: -0.004
local terms energy: -156.079892
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -37.647
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -23.351
tors. eta vs tors. theta energy: -34.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -261.504057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.504057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.504057 (E_RNA)
where:
Base-Base interactions energy: -122.636
where: short stacking energy: -63.154
Base-Backbone interact. energy: 0.423
local terms energy: -139.291405
where:
bonds (distance) C4'-P energy: -40.061
bonds (distance) P-C4' energy: -38.664
flat angles C4'-P-C4' energy: -39.427
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -168.890688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.890688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.890688 (E_RNA)
where:
Base-Base interactions energy: -74.613
where: short stacking energy: -51.552
Base-Backbone interact. energy: 3.645
local terms energy: -97.922790
where:
bonds (distance) C4'-P energy: -26.809
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: 5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -636.898303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.898303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.898303 (E_RNA)
where:
Base-Base interactions energy: -427.335
where: short stacking energy: -185.282
Base-Backbone interact. energy: -0.292
local terms energy: -209.271250
where:
bonds (distance) C4'-P energy: -38.808
bonds (distance) P-C4' energy: -38.739
flat angles C4'-P-C4' energy: -44.543
flat angles P-C4'-P energy: -37.069
tors. eta vs tors. theta energy: -50.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -660.585065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.585065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.585065 (E_RNA)
where:
Base-Base interactions energy: -452.240
where: short stacking energy: -193.625
Base-Backbone interact. energy: -0.024
local terms energy: -208.321352
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -43.035
flat angles C4'-P-C4' energy: -40.121
flat angles P-C4'-P energy: -30.874
tors. eta vs tors. theta energy: -66.897
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: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -589.102452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.102452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.102452 (E_RNA)
where:
Base-Base interactions energy: -384.948
where: short stacking energy: -194.489
Base-Backbone interact. energy: -0.489
local terms energy: -203.665684
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -42.662
flat angles C4'-P-C4' energy: -41.433
flat angles P-C4'-P energy: -28.177
tors. eta vs tors. theta energy: -60.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -515.361635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.361635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.361635 (E_RNA)
where:
Base-Base interactions energy: -343.340
where: short stacking energy: -146.890
Base-Backbone interact. energy: -2.467
local terms energy: -169.553755
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -36.255
flat angles C4'-P-C4' energy: -41.141
flat angles P-C4'-P energy: -26.458
tors. eta vs tors. theta energy: -35.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -495.814471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.814471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.814471 (E_RNA)
where:
Base-Base interactions energy: -321.326
where: short stacking energy: -146.901
Base-Backbone interact. energy: -0.467
local terms energy: -174.021080
where:
bonds (distance) C4'-P energy: -32.878
bonds (distance) P-C4' energy: -37.892
flat angles C4'-P-C4' energy: -41.638
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -39.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -492.966452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.966452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.966452 (E_RNA)
where:
Base-Base interactions energy: -335.493
where: short stacking energy: -146.361
Base-Backbone interact. energy: 0.633
local terms energy: -158.106362
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -26.095
flat angles C4'-P-C4' energy: -38.732
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -35.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -468.090685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.090685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.090685 (E_RNA)
where:
Base-Base interactions energy: -300.250
where: short stacking energy: -138.380
Base-Backbone interact. energy: -0.329
local terms energy: -167.511144
where:
bonds (distance) C4'-P energy: -43.843
bonds (distance) P-C4' energy: -39.951
flat angles C4'-P-C4' energy: -36.277
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -30.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -423.026655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.026655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.026655 (E_RNA)
where:
Base-Base interactions energy: -264.257
where: short stacking energy: -129.723
Base-Backbone interact. energy: -0.662
local terms energy: -158.107389
where:
bonds (distance) C4'-P energy: -38.978
bonds (distance) P-C4' energy: -37.396
flat angles C4'-P-C4' energy: -26.027
flat angles P-C4'-P energy: -20.614
tors. eta vs tors. theta energy: -35.093
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: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -272.463470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.463470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.463470 (E_RNA)
where:
Base-Base interactions energy: -125.358
where: short stacking energy: -75.596
Base-Backbone interact. energy: -0.061
local terms energy: -147.045125
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -41.722
flat angles C4'-P-C4' energy: -34.992
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: -13.301
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: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -171.462119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.462119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.462119 (E_RNA)
where:
Base-Base interactions energy: -62.949
where: short stacking energy: -43.995
Base-Backbone interact. energy: 0.622
local terms energy: -109.135307
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -37.909
flat angles C4'-P-C4' energy: -26.819
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -661.374279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.374279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.374279 (E_RNA)
where:
Base-Base interactions energy: -447.069
where: short stacking energy: -206.113
Base-Backbone interact. energy: -0.575
local terms energy: -213.730811
where:
bonds (distance) C4'-P energy: -40.226
bonds (distance) P-C4' energy: -39.805
flat angles C4'-P-C4' energy: -44.200
flat angles P-C4'-P energy: -27.658
tors. eta vs tors. theta energy: -61.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -617.383476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.383476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.383476 (E_RNA)
where:
Base-Base interactions energy: -431.512
where: short stacking energy: -182.213
Base-Backbone interact. energy: -0.135
local terms energy: -185.736460
where:
bonds (distance) C4'-P energy: -31.049
bonds (distance) P-C4' energy: -32.678
flat angles C4'-P-C4' energy: -37.130
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: -51.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -546.783701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.783701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.783701 (E_RNA)
where:
Base-Base interactions energy: -361.961
where: short stacking energy: -148.857
Base-Backbone interact. energy: 0.720
local terms energy: -185.543600
where:
bonds (distance) C4'-P energy: -39.522
bonds (distance) P-C4' energy: -34.500
flat angles C4'-P-C4' energy: -45.515
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -40.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -547.061615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.061615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.061615 (E_RNA)
where:
Base-Base interactions energy: -359.537
where: short stacking energy: -168.035
Base-Backbone interact. energy: -0.079
local terms energy: -187.445204
where:
bonds (distance) C4'-P energy: -34.174
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -39.574
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -50.081
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: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -500.836438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.836438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.836438 (E_RNA)
where:
Base-Base interactions energy: -319.724
where: short stacking energy: -152.222
Base-Backbone interact. energy: 0.183
local terms energy: -181.294599
where:
bonds (distance) C4'-P energy: -35.499
bonds (distance) P-C4' energy: -26.956
flat angles C4'-P-C4' energy: -46.255
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -43.521
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: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -480.107991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.107991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.107991 (E_RNA)
where:
Base-Base interactions energy: -313.840
where: short stacking energy: -125.376
Base-Backbone interact. energy: 0.776
local terms energy: -167.044279
where:
bonds (distance) C4'-P energy: -42.623
bonds (distance) P-C4' energy: -40.677
flat angles C4'-P-C4' energy: -35.819
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -25.587
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: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -442.079869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.079869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.079869 (E_RNA)
where:
Base-Base interactions energy: -283.911
where: short stacking energy: -125.420
Base-Backbone interact. energy: -0.412
local terms energy: -157.757070
where:
bonds (distance) C4'-P energy: -36.149
bonds (distance) P-C4' energy: -34.931
flat angles C4'-P-C4' energy: -35.374
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -384.968548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.968548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.968548 (E_RNA)
where:
Base-Base interactions energy: -254.794
where: short stacking energy: -108.662
Base-Backbone interact. energy: 0.382
local terms energy: -130.556504
where:
bonds (distance) C4'-P energy: -24.236
bonds (distance) P-C4' energy: -31.227
flat angles C4'-P-C4' energy: -33.049
flat angles P-C4'-P energy: -24.659
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -261.479473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.479473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.479473 (E_RNA)
where:
Base-Base interactions energy: -137.486
where: short stacking energy: -79.408
Base-Backbone interact. energy: -0.068
local terms energy: -123.926227
where:
bonds (distance) C4'-P energy: -39.065
bonds (distance) P-C4' energy: -26.718
flat angles C4'-P-C4' energy: -35.499
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -16.659
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: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -203.535566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.535566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.535566 (E_RNA)
where:
Base-Base interactions energy: -84.590
where: short stacking energy: -54.727
Base-Backbone interact. energy: -0.782
local terms energy: -118.163572
where:
bonds (distance) C4'-P energy: -35.426
bonds (distance) P-C4' energy: -32.954
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -22.382
tors. eta vs tors. theta energy: 4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -674.976282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.976282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.976282 (E_RNA)
where:
Base-Base interactions energy: -473.669
where: short stacking energy: -212.182
Base-Backbone interact. energy: -0.160
local terms energy: -201.146806
where:
bonds (distance) C4'-P energy: -35.602
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -42.837
flat angles P-C4'-P energy: -29.753
tors. eta vs tors. theta energy: -61.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -630.039814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.039814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.039814 (E_RNA)
where:
Base-Base interactions energy: -435.985
where: short stacking energy: -178.382
Base-Backbone interact. energy: 0.127
local terms energy: -194.181246
where:
bonds (distance) C4'-P energy: -31.398
bonds (distance) P-C4' energy: -35.116
flat angles C4'-P-C4' energy: -45.245
flat angles P-C4'-P energy: -31.248
tors. eta vs tors. theta energy: -51.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -533.662040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.662040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.662040 (E_RNA)
where:
Base-Base interactions energy: -361.236
where: short stacking energy: -146.844
Base-Backbone interact. energy: -0.650
local terms energy: -171.775302
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -40.907
flat angles C4'-P-C4' energy: -40.025
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: -31.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -558.913607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.913607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.913607 (E_RNA)
where:
Base-Base interactions energy: -357.388
where: short stacking energy: -178.621
Base-Backbone interact. energy: -0.437
local terms energy: -201.087952
where:
bonds (distance) C4'-P energy: -39.896
bonds (distance) P-C4' energy: -37.312
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -34.063
tors. eta vs tors. theta energy: -51.727
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: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -499.901092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.901092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.901092 (E_RNA)
where:
Base-Base interactions energy: -332.754
where: short stacking energy: -143.985
Base-Backbone interact. energy: 0.516
local terms energy: -167.663461
where:
bonds (distance) C4'-P energy: -34.177
bonds (distance) P-C4' energy: -33.431
flat angles C4'-P-C4' energy: -37.614
flat angles P-C4'-P energy: -25.981
tors. eta vs tors. theta energy: -36.461
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: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -503.730432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.730432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.730432 (E_RNA)
where:
Base-Base interactions energy: -346.470
where: short stacking energy: -149.836
Base-Backbone interact. energy: -1.330
local terms energy: -155.930729
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -30.222
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -30.678
tors. eta vs tors. theta energy: -35.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -453.401234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.401234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.401234 (E_RNA)
where:
Base-Base interactions energy: -293.211
where: short stacking energy: -126.593
Base-Backbone interact. energy: 1.869
local terms energy: -162.059717
where:
bonds (distance) C4'-P energy: -30.387
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -34.363
flat angles P-C4'-P energy: -28.273
tors. eta vs tors. theta energy: -32.180
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: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -354.846423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.846423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.846423 (E_RNA)
where:
Base-Base interactions energy: -218.137
where: short stacking energy: -89.568
Base-Backbone interact. energy: -1.690
local terms energy: -135.019685
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -34.325
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: -17.871
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: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -270.129167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.129167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.129167 (E_RNA)
where:
Base-Base interactions energy: -139.369
where: short stacking energy: -85.225
Base-Backbone interact. energy: -0.143
local terms energy: -130.616746
where:
bonds (distance) C4'-P energy: -38.015
bonds (distance) P-C4' energy: -36.685
flat angles C4'-P-C4' energy: -29.082
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -180.191706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.191706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.191706 (E_RNA)
where:
Base-Base interactions energy: -62.568
where: short stacking energy: -62.568
Base-Backbone interact. energy: -0.800
local terms energy: -116.824110
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -34.061
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: -5.536
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: 246
Temperature: 0.900000
Total energy: -653.837515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.837515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.837515 (E_RNA)
where:
Base-Base interactions energy: -444.006
where: short stacking energy: -186.204
Base-Backbone interact. energy: -0.223
local terms energy: -209.608415
where:
bonds (distance) C4'-P energy: -40.590
bonds (distance) P-C4' energy: -37.016
flat angles C4'-P-C4' energy: -44.392
flat angles P-C4'-P energy: -33.874
tors. eta vs tors. theta energy: -53.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -674.401200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.401200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.401200 (E_RNA)
where:
Base-Base interactions energy: -464.215
where: short stacking energy: -207.056
Base-Backbone interact. energy: -0.179
local terms energy: -210.007469
where:
bonds (distance) C4'-P energy: -36.707
bonds (distance) P-C4' energy: -35.366
flat angles C4'-P-C4' energy: -46.450
flat angles P-C4'-P energy: -32.128
tors. eta vs tors. theta energy: -59.356
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: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -575.709154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.709154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.709154 (E_RNA)
where:
Base-Base interactions energy: -376.446
where: short stacking energy: -184.708
Base-Backbone interact. energy: -0.662
local terms energy: -198.600546
where:
bonds (distance) C4'-P energy: -35.747
bonds (distance) P-C4' energy: -36.833
flat angles C4'-P-C4' energy: -42.861
flat angles P-C4'-P energy: -25.599
tors. eta vs tors. theta energy: -57.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -544.114169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.114169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.114169 (E_RNA)
where:
Base-Base interactions energy: -369.792
where: short stacking energy: -155.250
Base-Backbone interact. energy: -0.980
local terms energy: -173.342089
where:
bonds (distance) C4'-P energy: -31.060
bonds (distance) P-C4' energy: -40.011
flat angles C4'-P-C4' energy: -36.203
flat angles P-C4'-P energy: -27.942
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: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -507.180061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.180061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.180061 (E_RNA)
where:
Base-Base interactions energy: -320.411
where: short stacking energy: -156.942
Base-Backbone interact. energy: 0.392
local terms energy: -187.161190
where:
bonds (distance) C4'-P energy: -32.058
bonds (distance) P-C4' energy: -44.778
flat angles C4'-P-C4' energy: -40.204
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -41.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -466.594114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.594114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.594114 (E_RNA)
where:
Base-Base interactions energy: -309.936
where: short stacking energy: -132.271
Base-Backbone interact. energy: -0.048
local terms energy: -156.609618
where:
bonds (distance) C4'-P energy: -32.736
bonds (distance) P-C4' energy: -33.939
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -23.671
tors. eta vs tors. theta energy: -34.294
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: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -468.022893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.022893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.022893 (E_RNA)
where:
Base-Base interactions energy: -326.470
where: short stacking energy: -144.639
Base-Backbone interact. energy: 0.621
local terms energy: -142.173745
where:
bonds (distance) C4'-P energy: -32.439
bonds (distance) P-C4' energy: -30.212
flat angles C4'-P-C4' energy: -33.827
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -33.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -357.057825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.057825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.057825 (E_RNA)
where:
Base-Base interactions energy: -223.035
where: short stacking energy: -105.011
Base-Backbone interact. energy: 3.245
local terms energy: -137.267301
where:
bonds (distance) C4'-P energy: -27.736
bonds (distance) P-C4' energy: -39.184
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -21.676
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: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -278.435314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.435314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.435314 (E_RNA)
where:
Base-Base interactions energy: -155.701
where: short stacking energy: -80.710
Base-Backbone interact. energy: 0.290
local terms energy: -123.024105
where:
bonds (distance) C4'-P energy: -35.294
bonds (distance) P-C4' energy: -42.120
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -15.280
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: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -191.182301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.182301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.182301 (E_RNA)
where:
Base-Base interactions energy: -67.546
where: short stacking energy: -52.138
Base-Backbone interact. energy: -2.696
local terms energy: -120.940349
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -41.676
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -7.763
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: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -639.352170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.352170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.352170 (E_RNA)
where:
Base-Base interactions energy: -434.427
where: short stacking energy: -189.414
Base-Backbone interact. energy: -1.048
local terms energy: -203.877588
where:
bonds (distance) C4'-P energy: -38.310
bonds (distance) P-C4' energy: -34.441
flat angles C4'-P-C4' energy: -43.884
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: -55.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -654.623354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.623354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.623354 (E_RNA)
where:
Base-Base interactions energy: -439.127
where: short stacking energy: -195.349
Base-Backbone interact. energy: 0.308
local terms energy: -215.804862
where:
bonds (distance) C4'-P energy: -41.165
bonds (distance) P-C4' energy: -42.047
flat angles C4'-P-C4' energy: -40.574
flat angles P-C4'-P energy: -32.155
tors. eta vs tors. theta energy: -59.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -596.307161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.307161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.307161 (E_RNA)
where:
Base-Base interactions energy: -398.065
where: short stacking energy: -190.719
Base-Backbone interact. energy: -0.265
local terms energy: -197.977015
where:
bonds (distance) C4'-P energy: -31.624
bonds (distance) P-C4' energy: -39.573
flat angles C4'-P-C4' energy: -39.936
flat angles P-C4'-P energy: -25.219
tors. eta vs tors. theta energy: -61.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -522.322288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.322288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.322288 (E_RNA)
where:
Base-Base interactions energy: -338.038
where: short stacking energy: -157.338
Base-Backbone interact. energy: 0.080
local terms energy: -184.364855
where:
bonds (distance) C4'-P energy: -36.720
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -41.434
flat angles P-C4'-P energy: -28.047
tors. eta vs tors. theta energy: -39.458
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: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -518.214074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.214074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.214074 (E_RNA)
where:
Base-Base interactions energy: -358.516
where: short stacking energy: -151.001
Base-Backbone interact. energy: -0.357
local terms energy: -159.341194
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -33.947
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -41.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -484.532306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.532306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.532306 (E_RNA)
where:
Base-Base interactions energy: -322.770
where: short stacking energy: -142.762
Base-Backbone interact. energy: -1.365
local terms energy: -160.397865
where:
bonds (distance) C4'-P energy: -36.492
bonds (distance) P-C4' energy: -31.613
flat angles C4'-P-C4' energy: -33.051
flat angles P-C4'-P energy: -18.679
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: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -455.483167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.483167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.483167 (E_RNA)
where:
Base-Base interactions energy: -297.851
where: short stacking energy: -137.168
Base-Backbone interact. energy: 0.005
local terms energy: -157.637521
where:
bonds (distance) C4'-P energy: -32.932
bonds (distance) P-C4' energy: -33.564
flat angles C4'-P-C4' energy: -35.700
flat angles P-C4'-P energy: -27.814
tors. eta vs tors. theta energy: -27.628
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: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -347.484733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.484733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.484733 (E_RNA)
where:
Base-Base interactions energy: -204.428
where: short stacking energy: -90.604
Base-Backbone interact. energy: 0.480
local terms energy: -143.536508
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -35.282
flat angles C4'-P-C4' energy: -36.528
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -17.480
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: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -267.453088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.453088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.453088 (E_RNA)
where:
Base-Base interactions energy: -150.729
where: short stacking energy: -69.381
Base-Backbone interact. energy: 1.971
local terms energy: -118.695006
where:
bonds (distance) C4'-P energy: -27.485
bonds (distance) P-C4' energy: -31.949
flat angles C4'-P-C4' energy: -39.422
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: 4.396
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: 10, replica: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -187.887950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.887950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.887950 (E_RNA)
where:
Base-Base interactions energy: -69.271
where: short stacking energy: -53.913
Base-Backbone interact. energy: 0.254
local terms energy: -118.871567
where:
bonds (distance) C4'-P energy: -36.187
bonds (distance) P-C4' energy: -44.264
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: 8.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -665.781511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.781511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.781511 (E_RNA)
where:
Base-Base interactions energy: -451.035
where: short stacking energy: -209.013
Base-Backbone interact. energy: -0.950
local terms energy: -213.796507
where:
bonds (distance) C4'-P energy: -33.391
bonds (distance) P-C4' energy: -40.996
flat angles C4'-P-C4' energy: -43.649
flat angles P-C4'-P energy: -30.432
tors. eta vs tors. theta energy: -65.329
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: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -624.688008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.688008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.688008 (E_RNA)
where:
Base-Base interactions energy: -422.265
where: short stacking energy: -179.654
Base-Backbone interact. energy: -1.401
local terms energy: -201.021557
where:
bonds (distance) C4'-P energy: -35.161
bonds (distance) P-C4' energy: -38.590
flat angles C4'-P-C4' energy: -37.410
flat angles P-C4'-P energy: -32.267
tors. eta vs tors. theta energy: -57.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -587.830912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.830912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.830912 (E_RNA)
where:
Base-Base interactions energy: -381.246
where: short stacking energy: -192.412
Base-Backbone interact. energy: 1.023
local terms energy: -207.607138
where:
bonds (distance) C4'-P energy: -37.149
bonds (distance) P-C4' energy: -36.193
flat angles C4'-P-C4' energy: -42.464
flat angles P-C4'-P energy: -29.616
tors. eta vs tors. theta energy: -62.186
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: 248
Temperature: 1.050000
Total energy: -555.042493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.042493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.042493 (E_RNA)
where:
Base-Base interactions energy: -361.733
where: short stacking energy: -170.108
Base-Backbone interact. energy: -0.075
local terms energy: -193.234633
where:
bonds (distance) C4'-P energy: -39.521
bonds (distance) P-C4' energy: -34.568
flat angles C4'-P-C4' energy: -39.097
flat angles P-C4'-P energy: -32.642
tors. eta vs tors. theta energy: -47.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -502.823387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.823387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.823387 (E_RNA)
where:
Base-Base interactions energy: -343.354
where: short stacking energy: -141.035
Base-Backbone interact. energy: -1.104
local terms energy: -158.366259
where:
bonds (distance) C4'-P energy: -31.305
bonds (distance) P-C4' energy: -34.909
flat angles C4'-P-C4' energy: -38.838
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -30.941
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: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -468.636598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.636598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.636598 (E_RNA)
where:
Base-Base interactions energy: -305.854
where: short stacking energy: -131.075
Base-Backbone interact. energy: 1.338
local terms energy: -164.119973
where:
bonds (distance) C4'-P energy: -38.040
bonds (distance) P-C4' energy: -30.391
flat angles C4'-P-C4' energy: -41.384
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -34.578
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: 248
Temperature: 1.200000
Total energy: -462.646464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.646464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.646464 (E_RNA)
where:
Base-Base interactions energy: -301.614
where: short stacking energy: -129.683
Base-Backbone interact. energy: -0.022
local terms energy: -161.010296
where:
bonds (distance) C4'-P energy: -28.575
bonds (distance) P-C4' energy: -46.373
flat angles C4'-P-C4' energy: -38.145
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -33.142
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: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -358.844052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.844052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.844052 (E_RNA)
where:
Base-Base interactions energy: -226.306
where: short stacking energy: -104.798
Base-Backbone interact. energy: -0.772
local terms energy: -131.766288
where:
bonds (distance) C4'-P energy: -27.009
bonds (distance) P-C4' energy: -30.475
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -25.735
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -319.719220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.719220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.719220 (E_RNA)
where:
Base-Base interactions energy: -182.777
where: short stacking energy: -86.123
Base-Backbone interact. energy: 2.023
local terms energy: -138.965004
where:
bonds (distance) C4'-P energy: -32.554
bonds (distance) P-C4' energy: -35.728
flat angles C4'-P-C4' energy: -32.653
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -19.867
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: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -177.359285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.359285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.359285 (E_RNA)
where:
Base-Base interactions energy: -70.911
where: short stacking energy: -52.203
Base-Backbone interact. energy: -0.531
local terms energy: -105.917210
where:
bonds (distance) C4'-P energy: -30.973
bonds (distance) P-C4' energy: -37.263
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: 10.738
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: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -672.331275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.331275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.331275 (E_RNA)
where:
Base-Base interactions energy: -455.976
where: short stacking energy: -203.609
Base-Backbone interact. energy: -0.125
local terms energy: -216.230396
where:
bonds (distance) C4'-P energy: -44.525
bonds (distance) P-C4' energy: -32.448
flat angles C4'-P-C4' energy: -45.372
flat angles P-C4'-P energy: -26.882
tors. eta vs tors. theta energy: -67.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -630.127366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.127366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.127366 (E_RNA)
where:
Base-Base interactions energy: -419.484
where: short stacking energy: -182.124
Base-Backbone interact. energy: -0.353
local terms energy: -210.289954
where:
bonds (distance) C4'-P energy: -38.896
bonds (distance) P-C4' energy: -42.014
flat angles C4'-P-C4' energy: -42.856
flat angles P-C4'-P energy: -30.965
tors. eta vs tors. theta energy: -55.559
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: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -586.192015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.192015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.192015 (E_RNA)
where:
Base-Base interactions energy: -392.755
where: short stacking energy: -184.813
Base-Backbone interact. energy: 0.576
local terms energy: -194.013486
where:
bonds (distance) C4'-P energy: -40.401
bonds (distance) P-C4' energy: -41.706
flat angles C4'-P-C4' energy: -38.151
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -51.727
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: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -541.993591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.993591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.993591 (E_RNA)
where:
Base-Base interactions energy: -360.597
where: short stacking energy: -156.612
Base-Backbone interact. energy: -0.839
local terms energy: -180.557266
where:
bonds (distance) C4'-P energy: -35.315
bonds (distance) P-C4' energy: -30.308
flat angles C4'-P-C4' energy: -46.134
flat angles P-C4'-P energy: -26.197
tors. eta vs tors. theta energy: -42.604
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: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -513.905785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.905785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.905785 (E_RNA)
where:
Base-Base interactions energy: -327.745
where: short stacking energy: -134.779
Base-Backbone interact. energy: -0.484
local terms energy: -185.676720
where:
bonds (distance) C4'-P energy: -39.692
bonds (distance) P-C4' energy: -41.651
flat angles C4'-P-C4' energy: -35.221
flat angles P-C4'-P energy: -28.829
tors. eta vs tors. theta energy: -40.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -504.591374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.591374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.591374 (E_RNA)
where:
Base-Base interactions energy: -338.234
where: short stacking energy: -150.586
Base-Backbone interact. energy: -1.831
local terms energy: -164.526288
where:
bonds (distance) C4'-P energy: -28.385
bonds (distance) P-C4' energy: -38.856
flat angles C4'-P-C4' energy: -39.851
flat angles P-C4'-P energy: -27.401
tors. eta vs tors. theta energy: -30.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -469.586844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.586844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.586844 (E_RNA)
where:
Base-Base interactions energy: -302.584
where: short stacking energy: -133.248
Base-Backbone interact. energy: 1.695
local terms energy: -168.698014
where:
bonds (distance) C4'-P energy: -39.396
bonds (distance) P-C4' energy: -40.029
flat angles C4'-P-C4' energy: -37.724
flat angles P-C4'-P energy: -24.602
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: 249
Temperature: 1.250000
Total energy: -364.774399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.774399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.774399 (E_RNA)
where:
Base-Base interactions energy: -224.586
where: short stacking energy: -111.780
Base-Backbone interact. energy: -0.417
local terms energy: -139.771178
where:
bonds (distance) C4'-P energy: -34.383
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -37.399
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -256.649384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.649384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.649384 (E_RNA)
where:
Base-Base interactions energy: -138.835
where: short stacking energy: -81.651
Base-Backbone interact. energy: 2.666
local terms energy: -120.480258
where:
bonds (distance) C4'-P energy: -25.762
bonds (distance) P-C4' energy: -41.442
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: 0.231
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: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -177.224629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.224629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.224629 (E_RNA)
where:
Base-Base interactions energy: -75.881
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.476
local terms energy: -100.867648
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -25.892
flat angles C4'-P-C4' energy: -37.693
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -1.511
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: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -680.267122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.267122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.267122 (E_RNA)
where:
Base-Base interactions energy: -455.109
where: short stacking energy: -210.301
Base-Backbone interact. energy: -0.039
local terms energy: -225.119136
where:
bonds (distance) C4'-P energy: -43.937
bonds (distance) P-C4' energy: -37.624
flat angles C4'-P-C4' energy: -45.572
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: -67.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -610.311524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.311524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.311524 (E_RNA)
where:
Base-Base interactions energy: -424.775
where: short stacking energy: -179.476
Base-Backbone interact. energy: -0.514
local terms energy: -185.022084
where:
bonds (distance) C4'-P energy: -35.558
bonds (distance) P-C4' energy: -36.907
flat angles C4'-P-C4' energy: -38.317
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -51.419
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: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -580.721568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.721568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.721568 (E_RNA)
where:
Base-Base interactions energy: -377.464
where: short stacking energy: -182.229
Base-Backbone interact. energy: -0.582
local terms energy: -202.676124
where:
bonds (distance) C4'-P energy: -35.569
bonds (distance) P-C4' energy: -42.539
flat angles C4'-P-C4' energy: -42.081
flat angles P-C4'-P energy: -25.772
tors. eta vs tors. theta energy: -56.716
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: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -526.392634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.392634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.392634 (E_RNA)
where:
Base-Base interactions energy: -350.593
where: short stacking energy: -139.590
Base-Backbone interact. energy: -0.981
local terms energy: -174.818209
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -39.712
flat angles C4'-P-C4' energy: -41.314
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -32.121
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: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -504.567998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.567998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.567998 (E_RNA)
where:
Base-Base interactions energy: -343.428
where: short stacking energy: -149.316
Base-Backbone interact. energy: -0.096
local terms energy: -161.043578
where:
bonds (distance) C4'-P energy: -30.304
bonds (distance) P-C4' energy: -40.129
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: -36.250
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: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -472.880577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.880577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.880577 (E_RNA)
where:
Base-Base interactions energy: -316.507
where: short stacking energy: -135.739
Base-Backbone interact. energy: -0.095
local terms energy: -156.279213
where:
bonds (distance) C4'-P energy: -37.319
bonds (distance) P-C4' energy: -29.877
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -35.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -457.724138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.724138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.724138 (E_RNA)
where:
Base-Base interactions energy: -307.717
where: short stacking energy: -135.239
Base-Backbone interact. energy: -0.465
local terms energy: -149.542674
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -40.964
flat angles C4'-P-C4' energy: -36.394
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: -31.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -386.845678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.845678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.845678 (E_RNA)
where:
Base-Base interactions energy: -249.121
where: short stacking energy: -113.335
Base-Backbone interact. energy: -1.921
local terms energy: -135.803155
where:
bonds (distance) C4'-P energy: -28.279
bonds (distance) P-C4' energy: -29.470
flat angles C4'-P-C4' energy: -33.426
flat angles P-C4'-P energy: -23.686
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -255.494904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.494904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.494904 (E_RNA)
where:
Base-Base interactions energy: -134.440
where: short stacking energy: -82.862
Base-Backbone interact. energy: -0.639
local terms energy: -120.416318
where:
bonds (distance) C4'-P energy: -35.683
bonds (distance) P-C4' energy: -23.510
flat angles C4'-P-C4' energy: -31.970
flat angles P-C4'-P energy: -21.452
tors. eta vs tors. theta energy: -7.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -165.224997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.224997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.224997 (E_RNA)
where:
Base-Base interactions energy: -61.255
where: short stacking energy: -51.861
Base-Backbone interact. energy: -0.498
local terms energy: -103.472275
where:
bonds (distance) C4'-P energy: -25.162
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -20.340
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -680.915077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.915077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.915077 (E_RNA)
where:
Base-Base interactions energy: -474.607
where: short stacking energy: -207.177
Base-Backbone interact. energy: -0.173
local terms energy: -206.134501
where:
bonds (distance) C4'-P energy: -41.262
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -45.994
flat angles P-C4'-P energy: -24.219
tors. eta vs tors. theta energy: -63.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -614.370144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.370144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.370144 (E_RNA)
where:
Base-Base interactions energy: -415.413
where: short stacking energy: -174.879
Base-Backbone interact. energy: -0.094
local terms energy: -198.863058
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -35.179
flat angles C4'-P-C4' energy: -42.945
flat angles P-C4'-P energy: -32.746
tors. eta vs tors. theta energy: -56.559
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: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -599.942869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.942869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.942869 (E_RNA)
where:
Base-Base interactions energy: -401.358
where: short stacking energy: -177.939
Base-Backbone interact. energy: -0.270
local terms energy: -198.314793
where:
bonds (distance) C4'-P energy: -40.017
bonds (distance) P-C4' energy: -38.810
flat angles C4'-P-C4' energy: -39.101
flat angles P-C4'-P energy: -24.644
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: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -549.516562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.516562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.516562 (E_RNA)
where:
Base-Base interactions energy: -368.713
where: short stacking energy: -150.016
Base-Backbone interact. energy: -1.256
local terms energy: -179.546925
where:
bonds (distance) C4'-P energy: -39.992
bonds (distance) P-C4' energy: -33.245
flat angles C4'-P-C4' energy: -39.329
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -44.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -500.792959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.792959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.792959 (E_RNA)
where:
Base-Base interactions energy: -325.351
where: short stacking energy: -155.353
Base-Backbone interact. energy: -0.443
local terms energy: -174.998895
where:
bonds (distance) C4'-P energy: -31.994
bonds (distance) P-C4' energy: -36.448
flat angles C4'-P-C4' energy: -37.785
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: -43.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -447.142716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.142716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.142716 (E_RNA)
where:
Base-Base interactions energy: -285.043
where: short stacking energy: -130.353
Base-Backbone interact. energy: -0.395
local terms energy: -161.705218
where:
bonds (distance) C4'-P energy: -33.863
bonds (distance) P-C4' energy: -38.255
flat angles C4'-P-C4' energy: -36.200
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -31.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -468.568540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.568540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.568540 (E_RNA)
where:
Base-Base interactions energy: -312.407
where: short stacking energy: -128.954
Base-Backbone interact. energy: -0.064
local terms energy: -156.097804
where:
bonds (distance) C4'-P energy: -36.188
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -34.384
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -28.047
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: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -366.293063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.293063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.293063 (E_RNA)
where:
Base-Base interactions energy: -224.176
where: short stacking energy: -91.973
Base-Backbone interact. energy: -0.654
local terms energy: -141.463506
where:
bonds (distance) C4'-P energy: -33.432
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -18.362
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: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -287.430305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.430305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.430305 (E_RNA)
where:
Base-Base interactions energy: -170.905
where: short stacking energy: -78.576
Base-Backbone interact. energy: 1.956
local terms energy: -118.481348
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -32.456
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -234.515398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.515398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.515398 (E_RNA)
where:
Base-Base interactions energy: -118.137
where: short stacking energy: -52.472
Base-Backbone interact. energy: -0.466
local terms energy: -115.912306
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -28.450
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -8.504
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: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -663.878794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.878794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.878794 (E_RNA)
where:
Base-Base interactions energy: -443.453
where: short stacking energy: -200.562
Base-Backbone interact. energy: 1.126
local terms energy: -221.552321
where:
bonds (distance) C4'-P energy: -37.658
bonds (distance) P-C4' energy: -46.061
flat angles C4'-P-C4' energy: -42.862
flat angles P-C4'-P energy: -31.524
tors. eta vs tors. theta energy: -63.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -627.045895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.045895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.045895 (E_RNA)
where:
Base-Base interactions energy: -417.958
where: short stacking energy: -172.163
Base-Backbone interact. energy: -0.928
local terms energy: -208.159360
where:
bonds (distance) C4'-P energy: -37.222
bonds (distance) P-C4' energy: -43.509
flat angles C4'-P-C4' energy: -43.162
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -58.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -624.351828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.351828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.351828 (E_RNA)
where:
Base-Base interactions energy: -408.811
where: short stacking energy: -189.029
Base-Backbone interact. energy: -0.140
local terms energy: -215.401152
where:
bonds (distance) C4'-P energy: -44.545
bonds (distance) P-C4' energy: -40.476
flat angles C4'-P-C4' energy: -44.826
flat angles P-C4'-P energy: -22.483
tors. eta vs tors. theta energy: -63.072
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: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -558.274348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.274348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.274348 (E_RNA)
where:
Base-Base interactions energy: -391.879
where: short stacking energy: -149.641
Base-Backbone interact. energy: 0.850
local terms energy: -167.245004
where:
bonds (distance) C4'-P energy: -37.144
bonds (distance) P-C4' energy: -36.975
flat angles C4'-P-C4' energy: -42.768
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -33.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -527.396350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.396350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.396350 (E_RNA)
where:
Base-Base interactions energy: -352.255
where: short stacking energy: -139.414
Base-Backbone interact. energy: -0.204
local terms energy: -174.937494
where:
bonds (distance) C4'-P energy: -42.270
bonds (distance) P-C4' energy: -36.043
flat angles C4'-P-C4' energy: -36.186
flat angles P-C4'-P energy: -31.719
tors. eta vs tors. theta energy: -28.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -477.836123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.836123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.836123 (E_RNA)
where:
Base-Base interactions energy: -333.215
where: short stacking energy: -149.689
Base-Backbone interact. energy: -0.709
local terms energy: -143.912143
where:
bonds (distance) C4'-P energy: -27.584
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -33.799
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -38.683
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: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -444.620404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.620404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.620404 (E_RNA)
where:
Base-Base interactions energy: -306.168
where: short stacking energy: -134.503
Base-Backbone interact. energy: -1.486
local terms energy: -136.965852
where:
bonds (distance) C4'-P energy: -31.450
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -22.240
tors. eta vs tors. theta energy: -25.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -385.165087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.165087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.165087 (E_RNA)
where:
Base-Base interactions energy: -228.748
where: short stacking energy: -104.153
Base-Backbone interact. energy: -1.217
local terms energy: -155.199659
where:
bonds (distance) C4'-P energy: -28.923
bonds (distance) P-C4' energy: -38.739
flat angles C4'-P-C4' energy: -42.554
flat angles P-C4'-P energy: -24.650
tors. eta vs tors. theta energy: -20.332
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: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -293.693214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.693214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.693214 (E_RNA)
where:
Base-Base interactions energy: -167.775
where: short stacking energy: -82.538
Base-Backbone interact. energy: 0.159
local terms energy: -126.077719
where:
bonds (distance) C4'-P energy: -30.781
bonds (distance) P-C4' energy: -30.837
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -13.906
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: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -255.777604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.777604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.777604 (E_RNA)
where:
Base-Base interactions energy: -136.954
where: short stacking energy: -58.930
Base-Backbone interact. energy: 3.623
local terms energy: -122.446230
where:
bonds (distance) C4'-P energy: -32.920
bonds (distance) P-C4' energy: -38.054
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -18.331
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: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -669.313141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.313141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.313141 (E_RNA)
where:
Base-Base interactions energy: -450.515
where: short stacking energy: -201.212
Base-Backbone interact. energy: -0.090
local terms energy: -218.708531
where:
bonds (distance) C4'-P energy: -41.662
bonds (distance) P-C4' energy: -39.862
flat angles C4'-P-C4' energy: -45.441
flat angles P-C4'-P energy: -28.146
tors. eta vs tors. theta energy: -63.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -635.866626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.866626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.866626 (E_RNA)
where:
Base-Base interactions energy: -426.187
where: short stacking energy: -202.395
Base-Backbone interact. energy: -0.272
local terms energy: -209.407684
where:
bonds (distance) C4'-P energy: -41.201
bonds (distance) P-C4' energy: -34.454
flat angles C4'-P-C4' energy: -47.392
flat angles P-C4'-P energy: -27.997
tors. eta vs tors. theta energy: -58.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -609.347330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.347330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.347330 (E_RNA)
where:
Base-Base interactions energy: -408.781
where: short stacking energy: -178.421
Base-Backbone interact. energy: -0.153
local terms energy: -200.413795
where:
bonds (distance) C4'-P energy: -43.702
bonds (distance) P-C4' energy: -41.153
flat angles C4'-P-C4' energy: -39.437
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -52.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -556.808275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.808275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.808275 (E_RNA)
where:
Base-Base interactions energy: -372.656
where: short stacking energy: -146.858
Base-Backbone interact. energy: 0.208
local terms energy: -184.360274
where:
bonds (distance) C4'-P energy: -35.255
bonds (distance) P-C4' energy: -35.221
flat angles C4'-P-C4' energy: -40.997
flat angles P-C4'-P energy: -35.228
tors. eta vs tors. theta energy: -37.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -506.464703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.464703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.464703 (E_RNA)
where:
Base-Base interactions energy: -354.736
where: short stacking energy: -149.455
Base-Backbone interact. energy: -0.717
local terms energy: -151.010910
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -31.214
flat angles C4'-P-C4' energy: -35.321
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -31.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -500.997011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.997011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.997011 (E_RNA)
where:
Base-Base interactions energy: -334.861
where: short stacking energy: -143.743
Base-Backbone interact. energy: -0.427
local terms energy: -165.708819
where:
bonds (distance) C4'-P energy: -39.000
bonds (distance) P-C4' energy: -32.452
flat angles C4'-P-C4' energy: -40.090
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -37.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -481.084709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.084709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.084709 (E_RNA)
where:
Base-Base interactions energy: -322.852
where: short stacking energy: -135.313
Base-Backbone interact. energy: -0.548
local terms energy: -157.685095
where:
bonds (distance) C4'-P energy: -32.030
bonds (distance) P-C4' energy: -28.069
flat angles C4'-P-C4' energy: -37.330
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -37.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -376.340277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.340277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.340277 (E_RNA)
where:
Base-Base interactions energy: -228.171
where: short stacking energy: -102.912
Base-Backbone interact. energy: -0.285
local terms energy: -147.883715
where:
bonds (distance) C4'-P energy: -39.113
bonds (distance) P-C4' energy: -39.141
flat angles C4'-P-C4' energy: -34.798
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -21.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -247.309493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.309493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.309493 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -82.951
Base-Backbone interact. energy: 0.967
local terms energy: -115.640584
where:
bonds (distance) C4'-P energy: -31.005
bonds (distance) P-C4' energy: -42.125
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -277.764576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.764576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.764576 (E_RNA)
where:
Base-Base interactions energy: -162.573
where: short stacking energy: -84.789
Base-Backbone interact. energy: 2.537
local terms energy: -117.729220
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -10.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -650.617604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.617604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.617604 (E_RNA)
where:
Base-Base interactions energy: -429.371
where: short stacking energy: -183.374
Base-Backbone interact. energy: 0.449
local terms energy: -221.695956
where:
bonds (distance) C4'-P energy: -43.935
bonds (distance) P-C4' energy: -39.268
flat angles C4'-P-C4' energy: -44.346
flat angles P-C4'-P energy: -35.575
tors. eta vs tors. theta energy: -58.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -634.433516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.433516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.433516 (E_RNA)
where:
Base-Base interactions energy: -422.096
where: short stacking energy: -187.665
Base-Backbone interact. energy: -1.510
local terms energy: -210.827056
where:
bonds (distance) C4'-P energy: -34.681
bonds (distance) P-C4' energy: -41.787
flat angles C4'-P-C4' energy: -41.179
flat angles P-C4'-P energy: -33.072
tors. eta vs tors. theta energy: -60.108
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: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -626.878743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.878743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.878743 (E_RNA)
where:
Base-Base interactions energy: -418.493
where: short stacking energy: -186.805
Base-Backbone interact. energy: -0.583
local terms energy: -207.803414
where:
bonds (distance) C4'-P energy: -42.956
bonds (distance) P-C4' energy: -40.304
flat angles C4'-P-C4' energy: -42.714
flat angles P-C4'-P energy: -24.722
tors. eta vs tors. theta energy: -57.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -577.355865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.355865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.355865 (E_RNA)
where:
Base-Base interactions energy: -391.620
where: short stacking energy: -148.768
Base-Backbone interact. energy: -1.949
local terms energy: -183.786689
where:
bonds (distance) C4'-P energy: -34.340
bonds (distance) P-C4' energy: -41.233
flat angles C4'-P-C4' energy: -38.503
flat angles P-C4'-P energy: -27.081
tors. eta vs tors. theta energy: -42.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -521.806250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.806250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.806250 (E_RNA)
where:
Base-Base interactions energy: -346.742
where: short stacking energy: -153.204
Base-Backbone interact. energy: 3.750
local terms energy: -178.814499
where:
bonds (distance) C4'-P energy: -37.494
bonds (distance) P-C4' energy: -34.652
flat angles C4'-P-C4' energy: -40.497
flat angles P-C4'-P energy: -27.461
tors. eta vs tors. theta energy: -38.710
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: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -463.189672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.189672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.189672 (E_RNA)
where:
Base-Base interactions energy: -303.928
where: short stacking energy: -126.831
Base-Backbone interact. energy: -1.315
local terms energy: -157.946011
where:
bonds (distance) C4'-P energy: -26.935
bonds (distance) P-C4' energy: -35.566
flat angles C4'-P-C4' energy: -38.412
flat angles P-C4'-P energy: -28.100
tors. eta vs tors. theta energy: -28.933
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: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -477.386120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.386120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.386120 (E_RNA)
where:
Base-Base interactions energy: -320.082
where: short stacking energy: -129.458
Base-Backbone interact. energy: -0.385
local terms energy: -156.919021
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -35.831
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -36.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -385.853455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.853455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.853455 (E_RNA)
where:
Base-Base interactions energy: -243.707
where: short stacking energy: -112.756
Base-Backbone interact. energy: -0.987
local terms energy: -141.159265
where:
bonds (distance) C4'-P energy: -31.582
bonds (distance) P-C4' energy: -26.298
flat angles C4'-P-C4' energy: -30.442
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -28.871
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: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -265.545291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.545291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.545291 (E_RNA)
where:
Base-Base interactions energy: -145.061
where: short stacking energy: -63.928
Base-Backbone interact. energy: -1.172
local terms energy: -119.312832
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -36.156
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -23.474
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -260.544792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.544792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.544792 (E_RNA)
where:
Base-Base interactions energy: -121.396
where: short stacking energy: -74.018
Base-Backbone interact. energy: 0.283
local terms energy: -139.431519
where:
bonds (distance) C4'-P energy: -38.496
bonds (distance) P-C4' energy: -37.740
flat angles C4'-P-C4' energy: -27.854
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -676.500123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.500123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.500123 (E_RNA)
where:
Base-Base interactions energy: -453.687
where: short stacking energy: -199.272
Base-Backbone interact. energy: -0.370
local terms energy: -222.442415
where:
bonds (distance) C4'-P energy: -45.002
bonds (distance) P-C4' energy: -40.657
flat angles C4'-P-C4' energy: -43.402
flat angles P-C4'-P energy: -29.433
tors. eta vs tors. theta energy: -63.948
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: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -635.663240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.663240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.663240 (E_RNA)
where:
Base-Base interactions energy: -427.665
where: short stacking energy: -201.284
Base-Backbone interact. energy: -0.205
local terms energy: -207.793038
where:
bonds (distance) C4'-P energy: -40.972
bonds (distance) P-C4' energy: -40.906
flat angles C4'-P-C4' energy: -45.890
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -60.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -609.618436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.618436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.618436 (E_RNA)
where:
Base-Base interactions energy: -407.681
where: short stacking energy: -179.000
Base-Backbone interact. energy: -1.317
local terms energy: -200.620714
where:
bonds (distance) C4'-P energy: -43.863
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -43.713
flat angles P-C4'-P energy: -25.699
tors. eta vs tors. theta energy: -51.942
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: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -565.909526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.909526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.909526 (E_RNA)
where:
Base-Base interactions energy: -380.797
where: short stacking energy: -164.411
Base-Backbone interact. energy: -1.187
local terms energy: -183.925833
where:
bonds (distance) C4'-P energy: -33.026
bonds (distance) P-C4' energy: -40.840
flat angles C4'-P-C4' energy: -42.508
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -42.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -500.074605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.074605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.074605 (E_RNA)
where:
Base-Base interactions energy: -336.611
where: short stacking energy: -143.968
Base-Backbone interact. energy: -0.760
local terms energy: -162.702820
where:
bonds (distance) C4'-P energy: -38.518
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -25.295
tors. eta vs tors. theta energy: -36.373
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: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -473.432333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.432333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.432333 (E_RNA)
where:
Base-Base interactions energy: -309.074
where: short stacking energy: -132.333
Base-Backbone interact. energy: -0.264
local terms energy: -164.094535
where:
bonds (distance) C4'-P energy: -40.454
bonds (distance) P-C4' energy: -36.453
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -34.236
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: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -442.632474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.632474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.632474 (E_RNA)
where:
Base-Base interactions energy: -296.922
where: short stacking energy: -126.344
Base-Backbone interact. energy: -0.783
local terms energy: -144.928161
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -46.178
flat angles C4'-P-C4' energy: -36.848
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -29.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -414.926609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.926609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.926609 (E_RNA)
where:
Base-Base interactions energy: -276.422
where: short stacking energy: -116.353
Base-Backbone interact. energy: 1.095
local terms energy: -139.600040
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -34.989
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -29.269
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: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -267.830629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.830629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.830629 (E_RNA)
where:
Base-Base interactions energy: -149.690
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.424
local terms energy: -117.716644
where:
bonds (distance) C4'-P energy: -32.256
bonds (distance) P-C4' energy: -29.554
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -235.332289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.332289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.332289 (E_RNA)
where:
Base-Base interactions energy: -127.196
where: short stacking energy: -59.000
Base-Backbone interact. energy: -0.712
local terms energy: -107.423753
where:
bonds (distance) C4'-P energy: -28.326
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -32.081
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: 3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -661.731376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.731376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.731376 (E_RNA)
where:
Base-Base interactions energy: -445.220
where: short stacking energy: -205.363
Base-Backbone interact. energy: -0.050
local terms energy: -216.461851
where:
bonds (distance) C4'-P energy: -44.180
bonds (distance) P-C4' energy: -37.844
flat angles C4'-P-C4' energy: -41.664
flat angles P-C4'-P energy: -28.186
tors. eta vs tors. theta energy: -64.588
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: 2, replica: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -645.277896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.277896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.277896 (E_RNA)
where:
Base-Base interactions energy: -419.367
where: short stacking energy: -190.195
Base-Backbone interact. energy: -2.127
local terms energy: -223.784126
where:
bonds (distance) C4'-P energy: -37.358
bonds (distance) P-C4' energy: -45.794
flat angles C4'-P-C4' energy: -43.766
flat angles P-C4'-P energy: -35.474
tors. eta vs tors. theta energy: -61.391
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: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -599.021702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.021702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.021702 (E_RNA)
where:
Base-Base interactions energy: -406.581
where: short stacking energy: -166.589
Base-Backbone interact. energy: -1.178
local terms energy: -191.263185
where:
bonds (distance) C4'-P energy: -40.235
bonds (distance) P-C4' energy: -41.357
flat angles C4'-P-C4' energy: -35.446
flat angles P-C4'-P energy: -27.262
tors. eta vs tors. theta energy: -46.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -559.945167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.945167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.945167 (E_RNA)
where:
Base-Base interactions energy: -359.810
where: short stacking energy: -169.195
Base-Backbone interact. energy: -1.379
local terms energy: -198.756306
where:
bonds (distance) C4'-P energy: -40.943
bonds (distance) P-C4' energy: -40.375
flat angles C4'-P-C4' energy: -43.718
flat angles P-C4'-P energy: -25.350
tors. eta vs tors. theta energy: -48.371
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: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -502.204369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.204369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.204369 (E_RNA)
where:
Base-Base interactions energy: -346.611
where: short stacking energy: -135.190
Base-Backbone interact. energy: 0.852
local terms energy: -156.445477
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -29.912
flat angles C4'-P-C4' energy: -34.601
flat angles P-C4'-P energy: -30.169
tors. eta vs tors. theta energy: -30.277
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: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -455.585770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.585770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.585770 (E_RNA)
where:
Base-Base interactions energy: -288.160
where: short stacking energy: -129.581
Base-Backbone interact. energy: 0.971
local terms energy: -168.397174
where:
bonds (distance) C4'-P energy: -36.724
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -36.402
flat angles P-C4'-P energy: -32.098
tors. eta vs tors. theta energy: -29.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -436.027896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.027896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.027896 (E_RNA)
where:
Base-Base interactions energy: -280.320
where: short stacking energy: -117.654
Base-Backbone interact. energy: -0.493
local terms energy: -155.215561
where:
bonds (distance) C4'-P energy: -38.474
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -30.879
flat angles P-C4'-P energy: -27.932
tors. eta vs tors. theta energy: -31.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -381.395496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.395496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.395496 (E_RNA)
where:
Base-Base interactions energy: -238.584
where: short stacking energy: -94.883
Base-Backbone interact. energy: -0.537
local terms energy: -142.273884
where:
bonds (distance) C4'-P energy: -29.491
bonds (distance) P-C4' energy: -42.708
flat angles C4'-P-C4' energy: -28.622
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -16.967
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: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -276.225645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.225645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.225645 (E_RNA)
where:
Base-Base interactions energy: -145.293
where: short stacking energy: -90.557
Base-Backbone interact. energy: -1.133
local terms energy: -129.799452
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -35.269
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -21.364
tors. eta vs tors. theta energy: -12.941
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: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -243.451649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.451649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.451649 (E_RNA)
where:
Base-Base interactions energy: -129.916
where: short stacking energy: -65.510
Base-Backbone interact. energy: -0.589
local terms energy: -112.946943
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -29.318
flat angles C4'-P-C4' energy: -35.651
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -675.823479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.823479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.823479 (E_RNA)
where:
Base-Base interactions energy: -462.030
where: short stacking energy: -211.646
Base-Backbone interact. energy: -0.056
local terms energy: -213.738065
where:
bonds (distance) C4'-P energy: -43.046
bonds (distance) P-C4' energy: -38.022
flat angles C4'-P-C4' energy: -43.499
flat angles P-C4'-P energy: -26.691
tors. eta vs tors. theta energy: -62.480
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: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -613.590776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.590776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.590776 (E_RNA)
where:
Base-Base interactions energy: -414.340
where: short stacking energy: -183.410
Base-Backbone interact. energy: -0.500
local terms energy: -198.750479
where:
bonds (distance) C4'-P energy: -36.647
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -41.066
flat angles P-C4'-P energy: -29.131
tors. eta vs tors. theta energy: -56.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -609.085052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.085052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.085052 (E_RNA)
where:
Base-Base interactions energy: -423.364
where: short stacking energy: -188.811
Base-Backbone interact. energy: -1.524
local terms energy: -184.197200
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -38.057
flat angles P-C4'-P energy: -28.380
tors. eta vs tors. theta energy: -54.353
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: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -553.142580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.142580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.142580 (E_RNA)
where:
Base-Base interactions energy: -373.591
where: short stacking energy: -157.926
Base-Backbone interact. energy: 0.319
local terms energy: -179.871267
where:
bonds (distance) C4'-P energy: -32.513
bonds (distance) P-C4' energy: -37.473
flat angles C4'-P-C4' energy: -44.885
flat angles P-C4'-P energy: -24.208
tors. eta vs tors. theta energy: -40.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -504.949661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.949661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.949661 (E_RNA)
where:
Base-Base interactions energy: -342.975
where: short stacking energy: -139.895
Base-Backbone interact. energy: -1.392
local terms energy: -160.582973
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -37.241
flat angles C4'-P-C4' energy: -34.647
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: -33.751
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: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -478.405127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.405127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.405127 (E_RNA)
where:
Base-Base interactions energy: -309.730
where: short stacking energy: -131.496
Base-Backbone interact. energy: -1.010
local terms energy: -167.665073
where:
bonds (distance) C4'-P energy: -30.227
bonds (distance) P-C4' energy: -41.998
flat angles C4'-P-C4' energy: -33.793
flat angles P-C4'-P energy: -31.537
tors. eta vs tors. theta energy: -30.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -377.328790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.328790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.328790 (E_RNA)
where:
Base-Base interactions energy: -228.834
where: short stacking energy: -115.272
Base-Backbone interact. energy: -0.456
local terms energy: -148.038413
where:
bonds (distance) C4'-P energy: -33.718
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -35.730
flat angles P-C4'-P energy: -25.848
tors. eta vs tors. theta energy: -20.293
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: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -375.130179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.130179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.130179 (E_RNA)
where:
Base-Base interactions energy: -231.596
where: short stacking energy: -110.975
Base-Backbone interact. energy: 0.055
local terms energy: -143.588601
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -31.031
flat angles P-C4'-P energy: -30.013
tors. eta vs tors. theta energy: -27.104
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: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -280.437308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.437308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.437308 (E_RNA)
where:
Base-Base interactions energy: -142.547
where: short stacking energy: -87.791
Base-Backbone interact. energy: -0.541
local terms energy: -137.349274
where:
bonds (distance) C4'-P energy: -32.143
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -263.559789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.559789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.559789 (E_RNA)
where:
Base-Base interactions energy: -133.316
where: short stacking energy: -66.223
Base-Backbone interact. energy: -1.664
local terms energy: -128.580499
where:
bonds (distance) C4'-P energy: -30.138
bonds (distance) P-C4' energy: -39.509
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -672.026926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.026926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.026926 (E_RNA)
where:
Base-Base interactions energy: -461.344
where: short stacking energy: -210.584
Base-Backbone interact. energy: -0.408
local terms energy: -210.275369
where:
bonds (distance) C4'-P energy: -43.394
bonds (distance) P-C4' energy: -36.990
flat angles C4'-P-C4' energy: -43.619
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -66.295
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: 258
Temperature: 0.950000
Total energy: -605.788242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.788242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.788242 (E_RNA)
where:
Base-Base interactions energy: -414.080
where: short stacking energy: -166.266
Base-Backbone interact. energy: 1.758
local terms energy: -193.466023
where:
bonds (distance) C4'-P energy: -38.819
bonds (distance) P-C4' energy: -40.143
flat angles C4'-P-C4' energy: -42.315
flat angles P-C4'-P energy: -29.786
tors. eta vs tors. theta energy: -42.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -607.735439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.735439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.735439 (E_RNA)
where:
Base-Base interactions energy: -419.527
where: short stacking energy: -181.856
Base-Backbone interact. energy: -2.107
local terms energy: -186.100910
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -38.619
flat angles C4'-P-C4' energy: -35.714
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: -49.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -576.280440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.280440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.280440 (E_RNA)
where:
Base-Base interactions energy: -396.646
where: short stacking energy: -174.206
Base-Backbone interact. energy: 0.847
local terms energy: -180.481794
where:
bonds (distance) C4'-P energy: -39.953
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -45.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -505.780102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.780102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.780102 (E_RNA)
where:
Base-Base interactions energy: -328.176
where: short stacking energy: -147.026
Base-Backbone interact. energy: -0.294
local terms energy: -177.310192
where:
bonds (distance) C4'-P energy: -38.920
bonds (distance) P-C4' energy: -39.803
flat angles C4'-P-C4' energy: -31.829
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -44.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -473.171204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.171204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.171204 (E_RNA)
where:
Base-Base interactions energy: -312.066
where: short stacking energy: -139.405
Base-Backbone interact. energy: -0.009
local terms energy: -161.095768
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -36.732
flat angles C4'-P-C4' energy: -37.394
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -30.127
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: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -409.938889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.938889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.938889 (E_RNA)
where:
Base-Base interactions energy: -251.590
where: short stacking energy: -114.273
Base-Backbone interact. energy: -1.384
local terms energy: -156.965172
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -38.630
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -26.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -345.273492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.273492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.273492 (E_RNA)
where:
Base-Base interactions energy: -209.863
where: short stacking energy: -108.073
Base-Backbone interact. energy: 0.057
local terms energy: -135.468037
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -41.986
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -19.167
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: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -268.379952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.379952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.379952 (E_RNA)
where:
Base-Base interactions energy: -135.256
where: short stacking energy: -78.522
Base-Backbone interact. energy: -0.805
local terms energy: -132.318448
where:
bonds (distance) C4'-P energy: -36.533
bonds (distance) P-C4' energy: -31.887
flat angles C4'-P-C4' energy: -38.713
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -8.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -237.012499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.012499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.012499 (E_RNA)
where:
Base-Base interactions energy: -119.090
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.806
local terms energy: -117.116494
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -0.540
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: 259
Temperature: 0.900000
Total energy: -658.826880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.826880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.826880 (E_RNA)
where:
Base-Base interactions energy: -450.853
where: short stacking energy: -197.157
Base-Backbone interact. energy: -0.226
local terms energy: -207.748506
where:
bonds (distance) C4'-P energy: -34.740
bonds (distance) P-C4' energy: -40.798
flat angles C4'-P-C4' energy: -43.639
flat angles P-C4'-P energy: -28.228
tors. eta vs tors. theta energy: -60.344
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: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -630.318745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.318745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.318745 (E_RNA)
where:
Base-Base interactions energy: -428.406
where: short stacking energy: -200.284
Base-Backbone interact. energy: -0.244
local terms energy: -201.668604
where:
bonds (distance) C4'-P energy: -37.410
bonds (distance) P-C4' energy: -33.639
flat angles C4'-P-C4' energy: -41.782
flat angles P-C4'-P energy: -29.108
tors. eta vs tors. theta energy: -59.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -609.927409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.927409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.927409 (E_RNA)
where:
Base-Base interactions energy: -413.267
where: short stacking energy: -179.995
Base-Backbone interact. energy: -0.188
local terms energy: -196.472009
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -41.355
flat angles C4'-P-C4' energy: -45.126
flat angles P-C4'-P energy: -29.767
tors. eta vs tors. theta energy: -49.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -571.992659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.992659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.992659 (E_RNA)
where:
Base-Base interactions energy: -395.170
where: short stacking energy: -170.284
Base-Backbone interact. energy: -0.393
local terms energy: -176.429774
where:
bonds (distance) C4'-P energy: -28.029
bonds (distance) P-C4' energy: -40.748
flat angles C4'-P-C4' energy: -35.654
flat angles P-C4'-P energy: -27.682
tors. eta vs tors. theta energy: -44.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -490.019640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.019640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.019640 (E_RNA)
where:
Base-Base interactions energy: -326.690
where: short stacking energy: -137.838
Base-Backbone interact. energy: -1.645
local terms energy: -161.683802
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -32.531
flat angles C4'-P-C4' energy: -34.575
flat angles P-C4'-P energy: -31.800
tors. eta vs tors. theta energy: -34.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -421.872804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.872804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.872804 (E_RNA)
where:
Base-Base interactions energy: -261.022
where: short stacking energy: -113.130
Base-Backbone interact. energy: -0.499
local terms energy: -160.351837
where:
bonds (distance) C4'-P energy: -33.758
bonds (distance) P-C4' energy: -40.296
flat angles C4'-P-C4' energy: -37.073
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -33.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -454.246225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.246225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.246225 (E_RNA)
where:
Base-Base interactions energy: -285.867
where: short stacking energy: -125.672
Base-Backbone interact. energy: -1.431
local terms energy: -166.948221
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -42.584
flat angles C4'-P-C4' energy: -36.580
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -32.382
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: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -291.586328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.586328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.586328 (E_RNA)
where:
Base-Base interactions energy: -166.028
where: short stacking energy: -84.774
Base-Backbone interact. energy: 0.588
local terms energy: -126.146094
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -34.299
flat angles C4'-P-C4' energy: -32.265
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -7.555
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: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -252.754571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.754571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.754571 (E_RNA)
where:
Base-Base interactions energy: -130.129
where: short stacking energy: -73.347
Base-Backbone interact. energy: -0.294
local terms energy: -122.331151
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -30.496
flat angles C4'-P-C4' energy: -27.907
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -238.808166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.808166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.808166 (E_RNA)
where:
Base-Base interactions energy: -115.662
where: short stacking energy: -62.548
Base-Backbone interact. energy: 4.592
local terms energy: -127.737553
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -43.540
flat angles C4'-P-C4' energy: -36.319
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: 6.674
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: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -654.066287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.066287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.066287 (E_RNA)
where:
Base-Base interactions energy: -429.167
where: short stacking energy: -203.941
Base-Backbone interact. energy: -0.111
local terms energy: -224.787490
where:
bonds (distance) C4'-P energy: -42.616
bonds (distance) P-C4' energy: -46.358
flat angles C4'-P-C4' energy: -41.810
flat angles P-C4'-P energy: -30.610
tors. eta vs tors. theta energy: -63.394
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: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -666.117616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.117616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.117616 (E_RNA)
where:
Base-Base interactions energy: -444.319
where: short stacking energy: -206.304
Base-Backbone interact. energy: -0.034
local terms energy: -221.763819
where:
bonds (distance) C4'-P energy: -41.898
bonds (distance) P-C4' energy: -39.705
flat angles C4'-P-C4' energy: -41.660
flat angles P-C4'-P energy: -33.419
tors. eta vs tors. theta energy: -65.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -616.575290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.575290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.575290 (E_RNA)
where:
Base-Base interactions energy: -421.278
where: short stacking energy: -176.181
Base-Backbone interact. energy: -2.654
local terms energy: -192.643306
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -34.115
flat angles C4'-P-C4' energy: -44.686
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -51.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -541.028218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.028218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.028218 (E_RNA)
where:
Base-Base interactions energy: -374.093
where: short stacking energy: -148.137
Base-Backbone interact. energy: -0.438
local terms energy: -166.497553
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -39.290
flat angles C4'-P-C4' energy: -35.147
flat angles P-C4'-P energy: -25.228
tors. eta vs tors. theta energy: -37.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -515.224984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.224984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.224984 (E_RNA)
where:
Base-Base interactions energy: -341.299
where: short stacking energy: -157.193
Base-Backbone interact. energy: -0.755
local terms energy: -173.171392
where:
bonds (distance) C4'-P energy: -38.421
bonds (distance) P-C4' energy: -42.183
flat angles C4'-P-C4' energy: -33.911
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -40.787
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: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -420.099597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.099597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.099597 (E_RNA)
where:
Base-Base interactions energy: -257.619
where: short stacking energy: -126.548
Base-Backbone interact. energy: -1.183
local terms energy: -161.298473
where:
bonds (distance) C4'-P energy: -34.805
bonds (distance) P-C4' energy: -35.744
flat angles C4'-P-C4' energy: -33.541
flat angles P-C4'-P energy: -26.140
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: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -447.101976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.101976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.101976 (E_RNA)
where:
Base-Base interactions energy: -280.038
where: short stacking energy: -119.780
Base-Backbone interact. energy: -1.453
local terms energy: -165.611352
where:
bonds (distance) C4'-P energy: -31.656
bonds (distance) P-C4' energy: -41.363
flat angles C4'-P-C4' energy: -35.684
flat angles P-C4'-P energy: -31.378
tors. eta vs tors. theta energy: -25.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -305.185691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.185691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.185691 (E_RNA)
where:
Base-Base interactions energy: -175.503
where: short stacking energy: -97.593
Base-Backbone interact. energy: -0.820
local terms energy: -128.863172
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -33.989
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -8.161
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: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -276.818752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.818752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.818752 (E_RNA)
where:
Base-Base interactions energy: -148.745
where: short stacking energy: -85.203
Base-Backbone interact. energy: 5.537
local terms energy: -133.610525
where:
bonds (distance) C4'-P energy: -32.204
bonds (distance) P-C4' energy: -33.006
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -252.804902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.804902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.804902 (E_RNA)
where:
Base-Base interactions energy: -142.899
where: short stacking energy: -57.749
Base-Backbone interact. energy: -2.369
local terms energy: -107.536265
where:
bonds (distance) C4'-P energy: -29.553
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -34.726
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: 4.689
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: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -646.025333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.025333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.025333 (E_RNA)
where:
Base-Base interactions energy: -443.384
where: short stacking energy: -208.258
Base-Backbone interact. energy: -0.291
local terms energy: -202.350599
where:
bonds (distance) C4'-P energy: -37.726
bonds (distance) P-C4' energy: -34.494
flat angles C4'-P-C4' energy: -44.779
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -64.199
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: 261
Temperature: 0.950000
Total energy: -655.642533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.642533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.642533 (E_RNA)
where:
Base-Base interactions energy: -430.852
where: short stacking energy: -194.754
Base-Backbone interact. energy: 1.049
local terms energy: -225.838924
where:
bonds (distance) C4'-P energy: -41.341
bonds (distance) P-C4' energy: -43.456
flat angles C4'-P-C4' energy: -44.445
flat angles P-C4'-P energy: -31.090
tors. eta vs tors. theta energy: -65.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -620.909011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.909011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.909011 (E_RNA)
where:
Base-Base interactions energy: -433.817
where: short stacking energy: -176.861
Base-Backbone interact. energy: -0.612
local terms energy: -186.480070
where:
bonds (distance) C4'-P energy: -33.272
bonds (distance) P-C4' energy: -42.289
flat angles C4'-P-C4' energy: -44.246
flat angles P-C4'-P energy: -18.604
tors. eta vs tors. theta energy: -48.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -523.519592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.519592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.519592 (E_RNA)
where:
Base-Base interactions energy: -341.905
where: short stacking energy: -139.683
Base-Backbone interact. energy: 0.013
local terms energy: -181.627511
where:
bonds (distance) C4'-P energy: -38.476
bonds (distance) P-C4' energy: -42.462
flat angles C4'-P-C4' energy: -38.556
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -35.581
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: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -504.271806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.271806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.271806 (E_RNA)
where:
Base-Base interactions energy: -324.292
where: short stacking energy: -142.358
Base-Backbone interact. energy: -1.307
local terms energy: -178.672798
where:
bonds (distance) C4'-P energy: -40.600
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -39.430
flat angles P-C4'-P energy: -28.378
tors. eta vs tors. theta energy: -34.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -490.151197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.151197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.151197 (E_RNA)
where:
Base-Base interactions energy: -342.005
where: short stacking energy: -130.481
Base-Backbone interact. energy: -0.513
local terms energy: -147.633152
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -28.976
flat angles C4'-P-C4' energy: -45.197
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -27.803
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: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -415.919832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.919832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.919832 (E_RNA)
where:
Base-Base interactions energy: -267.469
where: short stacking energy: -120.624
Base-Backbone interact. energy: -1.612
local terms energy: -146.838907
where:
bonds (distance) C4'-P energy: -37.146
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -28.486
tors. eta vs tors. theta energy: -20.053
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: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -270.206507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.206507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.206507 (E_RNA)
where:
Base-Base interactions energy: -143.319
where: short stacking energy: -76.263
Base-Backbone interact. energy: 3.718
local terms energy: -130.605439
where:
bonds (distance) C4'-P energy: -29.877
bonds (distance) P-C4' energy: -37.086
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -12.168
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: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -321.843262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.843262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.843262 (E_RNA)
where:
Base-Base interactions energy: -180.708
where: short stacking energy: -95.766
Base-Backbone interact. energy: -1.713
local terms energy: -139.422319
where:
bonds (distance) C4'-P energy: -30.646
bonds (distance) P-C4' energy: -40.479
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -25.735
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -250.072143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.072143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.072143 (E_RNA)
where:
Base-Base interactions energy: -125.759
where: short stacking energy: -72.552
Base-Backbone interact. energy: 4.065
local terms energy: -128.378996
where:
bonds (distance) C4'-P energy: -31.049
bonds (distance) P-C4' energy: -41.564
flat angles C4'-P-C4' energy: -34.603
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: 1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -672.211228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.211228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.211228 (E_RNA)
where:
Base-Base interactions energy: -454.738
where: short stacking energy: -211.725
Base-Backbone interact. energy: 0.587
local terms energy: -218.060568
where:
bonds (distance) C4'-P energy: -40.468
bonds (distance) P-C4' energy: -39.944
flat angles C4'-P-C4' energy: -40.522
flat angles P-C4'-P energy: -33.032
tors. eta vs tors. theta energy: -64.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -621.735565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.735565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.735565 (E_RNA)
where:
Base-Base interactions energy: -406.192
where: short stacking energy: -199.103
Base-Backbone interact. energy: 1.094
local terms energy: -216.637947
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -42.602
flat angles C4'-P-C4' energy: -40.996
flat angles P-C4'-P energy: -31.540
tors. eta vs tors. theta energy: -63.078
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: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -623.329328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.329328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.329328 (E_RNA)
where:
Base-Base interactions energy: -428.462
where: short stacking energy: -170.745
Base-Backbone interact. energy: -1.351
local terms energy: -193.516270
where:
bonds (distance) C4'-P energy: -36.802
bonds (distance) P-C4' energy: -42.202
flat angles C4'-P-C4' energy: -38.589
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -46.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -547.938054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.938054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.938054 (E_RNA)
where:
Base-Base interactions energy: -370.835
where: short stacking energy: -179.669
Base-Backbone interact. energy: -0.990
local terms energy: -176.113097
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -39.401
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -46.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -506.912204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.912204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.912204 (E_RNA)
where:
Base-Base interactions energy: -338.500
where: short stacking energy: -150.001
Base-Backbone interact. energy: -0.280
local terms energy: -168.132194
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -38.166
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -37.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -475.343131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.343131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.343131 (E_RNA)
where:
Base-Base interactions energy: -312.111
where: short stacking energy: -131.679
Base-Backbone interact. energy: -2.299
local terms energy: -160.933827
where:
bonds (distance) C4'-P energy: -33.495
bonds (distance) P-C4' energy: -34.409
flat angles C4'-P-C4' energy: -37.587
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -36.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -396.649534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.649534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.649534 (E_RNA)
where:
Base-Base interactions energy: -249.127
where: short stacking energy: -107.475
Base-Backbone interact. energy: 0.534
local terms energy: -148.056152
where:
bonds (distance) C4'-P energy: -34.384
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -32.198
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -27.227
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: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -280.139323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.139323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.139323 (E_RNA)
where:
Base-Base interactions energy: -158.426
where: short stacking energy: -82.617
Base-Backbone interact. energy: -0.420
local terms energy: -121.293565
where:
bonds (distance) C4'-P energy: -27.268
bonds (distance) P-C4' energy: -38.060
flat angles C4'-P-C4' energy: -32.580
flat angles P-C4'-P energy: -25.990
tors. eta vs tors. theta energy: 2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -248.848315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.848315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.848315 (E_RNA)
where:
Base-Base interactions energy: -139.615
where: short stacking energy: -76.197
Base-Backbone interact. energy: -0.378
local terms energy: -108.854744
where:
bonds (distance) C4'-P energy: -26.089
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -33.466
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -263.399159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.399159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.399159 (E_RNA)
where:
Base-Base interactions energy: -126.385
where: short stacking energy: -60.289
Base-Backbone interact. energy: -1.455
local terms energy: -135.559524
where:
bonds (distance) C4'-P energy: -33.482
bonds (distance) P-C4' energy: -43.889
flat angles C4'-P-C4' energy: -35.281
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -660.794178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.794178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.794178 (E_RNA)
where:
Base-Base interactions energy: -443.809
where: short stacking energy: -202.825
Base-Backbone interact. energy: -0.182
local terms energy: -216.803730
where:
bonds (distance) C4'-P energy: -37.771
bonds (distance) P-C4' energy: -43.005
flat angles C4'-P-C4' energy: -41.919
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -64.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -617.309904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.309904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.309904 (E_RNA)
where:
Base-Base interactions energy: -401.780
where: short stacking energy: -197.625
Base-Backbone interact. energy: -0.525
local terms energy: -215.004903
where:
bonds (distance) C4'-P energy: -41.949
bonds (distance) P-C4' energy: -37.273
flat angles C4'-P-C4' energy: -43.389
flat angles P-C4'-P energy: -32.794
tors. eta vs tors. theta energy: -59.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -598.358726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.358726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.358726 (E_RNA)
where:
Base-Base interactions energy: -409.131
where: short stacking energy: -158.930
Base-Backbone interact. energy: -0.485
local terms energy: -188.742660
where:
bonds (distance) C4'-P energy: -33.232
bonds (distance) P-C4' energy: -39.918
flat angles C4'-P-C4' energy: -45.077
flat angles P-C4'-P energy: -30.598
tors. eta vs tors. theta energy: -39.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -546.577613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.577613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.577613 (E_RNA)
where:
Base-Base interactions energy: -364.126
where: short stacking energy: -163.481
Base-Backbone interact. energy: -0.369
local terms energy: -182.082509
where:
bonds (distance) C4'-P energy: -34.522
bonds (distance) P-C4' energy: -34.747
flat angles C4'-P-C4' energy: -41.922
flat angles P-C4'-P energy: -25.680
tors. eta vs tors. theta energy: -45.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -476.397519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.397519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.397519 (E_RNA)
where:
Base-Base interactions energy: -313.442
where: short stacking energy: -138.316
Base-Backbone interact. energy: -0.075
local terms energy: -162.879991
where:
bonds (distance) C4'-P energy: -33.591
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -42.307
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -32.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -479.144692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.144692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.144692 (E_RNA)
where:
Base-Base interactions energy: -317.280
where: short stacking energy: -145.359
Base-Backbone interact. energy: -0.550
local terms energy: -161.315353
where:
bonds (distance) C4'-P energy: -36.647
bonds (distance) P-C4' energy: -38.541
flat angles C4'-P-C4' energy: -27.570
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: -39.138
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: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -416.083399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.083399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.083399 (E_RNA)
where:
Base-Base interactions energy: -270.798
where: short stacking energy: -116.957
Base-Backbone interact. energy: 0.137
local terms energy: -145.422613
where:
bonds (distance) C4'-P energy: -32.644
bonds (distance) P-C4' energy: -34.184
flat angles C4'-P-C4' energy: -35.541
flat angles P-C4'-P energy: -22.627
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -271.110752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.110752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.110752 (E_RNA)
where:
Base-Base interactions energy: -139.450
where: short stacking energy: -85.583
Base-Backbone interact. energy: 2.502
local terms energy: -134.161857
where:
bonds (distance) C4'-P energy: -33.093
bonds (distance) P-C4' energy: -40.523
flat angles C4'-P-C4' energy: -28.787
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -11.944
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: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -283.688407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.688407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.688407 (E_RNA)
where:
Base-Base interactions energy: -140.869
where: short stacking energy: -70.334
Base-Backbone interact. energy: -0.979
local terms energy: -141.840381
where:
bonds (distance) C4'-P energy: -32.740
bonds (distance) P-C4' energy: -39.829
flat angles C4'-P-C4' energy: -34.726
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -13.104
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: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -276.832071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.832071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.832071 (E_RNA)
where:
Base-Base interactions energy: -146.394
where: short stacking energy: -77.883
Base-Backbone interact. energy: 0.613
local terms energy: -131.051074
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -37.124
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -26.055
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -660.942266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.942266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.942266 (E_RNA)
where:
Base-Base interactions energy: -443.949
where: short stacking energy: -205.195
Base-Backbone interact. energy: -0.013
local terms energy: -216.980167
where:
bonds (distance) C4'-P energy: -41.866
bonds (distance) P-C4' energy: -36.127
flat angles C4'-P-C4' energy: -48.713
flat angles P-C4'-P energy: -29.080
tors. eta vs tors. theta energy: -61.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -619.650663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.650663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.650663 (E_RNA)
where:
Base-Base interactions energy: -409.334
where: short stacking energy: -194.659
Base-Backbone interact. energy: -1.344
local terms energy: -208.972871
where:
bonds (distance) C4'-P energy: -37.506
bonds (distance) P-C4' energy: -38.512
flat angles C4'-P-C4' energy: -43.236
flat angles P-C4'-P energy: -28.257
tors. eta vs tors. theta energy: -61.462
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: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -592.139728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.139728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.139728 (E_RNA)
where:
Base-Base interactions energy: -402.356
where: short stacking energy: -173.670
Base-Backbone interact. energy: -0.532
local terms energy: -189.251573
where:
bonds (distance) C4'-P energy: -33.068
bonds (distance) P-C4' energy: -42.861
flat angles C4'-P-C4' energy: -44.403
flat angles P-C4'-P energy: -22.396
tors. eta vs tors. theta energy: -46.523
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: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -547.787683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.787683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.787683 (E_RNA)
where:
Base-Base interactions energy: -358.810
where: short stacking energy: -160.596
Base-Backbone interact. energy: 2.257
local terms energy: -191.234640
where:
bonds (distance) C4'-P energy: -39.792
bonds (distance) P-C4' energy: -39.006
flat angles C4'-P-C4' energy: -36.400
flat angles P-C4'-P energy: -31.531
tors. eta vs tors. theta energy: -44.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -497.927998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.927998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.927998 (E_RNA)
where:
Base-Base interactions energy: -329.703
where: short stacking energy: -147.706
Base-Backbone interact. energy: -0.294
local terms energy: -167.931549
where:
bonds (distance) C4'-P energy: -35.353
bonds (distance) P-C4' energy: -32.495
flat angles C4'-P-C4' energy: -37.487
flat angles P-C4'-P energy: -28.067
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: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -469.405003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.405003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.405003 (E_RNA)
where:
Base-Base interactions energy: -307.511
where: short stacking energy: -129.570
Base-Backbone interact. energy: 0.925
local terms energy: -162.819455
where:
bonds (distance) C4'-P energy: -34.845
bonds (distance) P-C4' energy: -34.964
flat angles C4'-P-C4' energy: -39.291
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: -28.454
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: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -439.696247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.696247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.696247 (E_RNA)
where:
Base-Base interactions energy: -275.647
where: short stacking energy: -128.547
Base-Backbone interact. energy: -0.325
local terms energy: -163.724137
where:
bonds (distance) C4'-P energy: -32.976
bonds (distance) P-C4' energy: -37.621
flat angles C4'-P-C4' energy: -41.364
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -29.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -275.220044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.220044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.220044 (E_RNA)
where:
Base-Base interactions energy: -143.533
where: short stacking energy: -90.419
Base-Backbone interact. energy: -0.648
local terms energy: -131.039401
where:
bonds (distance) C4'-P energy: -36.271
bonds (distance) P-C4' energy: -36.541
flat angles C4'-P-C4' energy: -29.565
flat angles P-C4'-P energy: -21.164
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -286.125581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.125581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.125581 (E_RNA)
where:
Base-Base interactions energy: -148.018
where: short stacking energy: -82.011
Base-Backbone interact. energy: 1.779
local terms energy: -139.886487
where:
bonds (distance) C4'-P energy: -38.020
bonds (distance) P-C4' energy: -29.954
flat angles C4'-P-C4' energy: -31.186
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -253.311662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.311662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.311662 (E_RNA)
where:
Base-Base interactions energy: -138.288
where: short stacking energy: -52.563
Base-Backbone interact. energy: -0.935
local terms energy: -114.088945
where:
bonds (distance) C4'-P energy: -39.008
bonds (distance) P-C4' energy: -35.236
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -27.403
tors. eta vs tors. theta energy: 4.794
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: 265
Temperature: 0.900000
Total energy: -661.785351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.785351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.785351 (E_RNA)
where:
Base-Base interactions energy: -442.767
where: short stacking energy: -211.775
Base-Backbone interact. energy: -0.364
local terms energy: -218.654301
where:
bonds (distance) C4'-P energy: -40.752
bonds (distance) P-C4' energy: -41.639
flat angles C4'-P-C4' energy: -45.107
flat angles P-C4'-P energy: -26.306
tors. eta vs tors. theta energy: -64.850
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: 265
Temperature: 0.950000
Total energy: -612.200917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.200917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.200917 (E_RNA)
where:
Base-Base interactions energy: -412.183
where: short stacking energy: -173.366
Base-Backbone interact. energy: -0.482
local terms energy: -199.535961
where:
bonds (distance) C4'-P energy: -39.394
bonds (distance) P-C4' energy: -37.799
flat angles C4'-P-C4' energy: -42.002
flat angles P-C4'-P energy: -29.059
tors. eta vs tors. theta energy: -51.282
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: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -610.176649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.176649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.176649 (E_RNA)
where:
Base-Base interactions energy: -409.622
where: short stacking energy: -191.584
Base-Backbone interact. energy: -1.204
local terms energy: -199.350929
where:
bonds (distance) C4'-P energy: -36.260
bonds (distance) P-C4' energy: -38.452
flat angles C4'-P-C4' energy: -42.179
flat angles P-C4'-P energy: -26.968
tors. eta vs tors. theta energy: -55.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -544.267928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.267928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.267928 (E_RNA)
where:
Base-Base interactions energy: -374.593
where: short stacking energy: -165.938
Base-Backbone interact. energy: -1.023
local terms energy: -168.651508
where:
bonds (distance) C4'-P energy: -41.116
bonds (distance) P-C4' energy: -31.019
flat angles C4'-P-C4' energy: -26.668
flat angles P-C4'-P energy: -25.831
tors. eta vs tors. theta energy: -44.018
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: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -514.415836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.415836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.415836 (E_RNA)
where:
Base-Base interactions energy: -354.525
where: short stacking energy: -150.140
Base-Backbone interact. energy: -1.786
local terms energy: -158.104647
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -38.108
flat angles C4'-P-C4' energy: -39.298
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -39.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -439.818298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.818298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.818298 (E_RNA)
where:
Base-Base interactions energy: -289.492
where: short stacking energy: -130.805
Base-Backbone interact. energy: -0.564
local terms energy: -149.762980
where:
bonds (distance) C4'-P energy: -26.824
bonds (distance) P-C4' energy: -37.371
flat angles C4'-P-C4' energy: -39.318
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -29.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -462.825769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.825769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.825769 (E_RNA)
where:
Base-Base interactions energy: -311.877
where: short stacking energy: -142.609
Base-Backbone interact. energy: -0.233
local terms energy: -150.715412
where:
bonds (distance) C4'-P energy: -27.704
bonds (distance) P-C4' energy: -35.524
flat angles C4'-P-C4' energy: -36.701
flat angles P-C4'-P energy: -21.626
tors. eta vs tors. theta energy: -29.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -329.711498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.711498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.711498 (E_RNA)
where:
Base-Base interactions energy: -192.860
where: short stacking energy: -100.401
Base-Backbone interact. energy: -0.384
local terms energy: -136.467702
where:
bonds (distance) C4'-P energy: -36.979
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -27.872
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -278.974958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.974958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.974958 (E_RNA)
where:
Base-Base interactions energy: -143.875
where: short stacking energy: -91.508
Base-Backbone interact. energy: -0.371
local terms energy: -134.728873
where:
bonds (distance) C4'-P energy: -32.272
bonds (distance) P-C4' energy: -38.084
flat angles C4'-P-C4' energy: -38.306
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -10.985
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: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -262.963950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.963950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.963950 (E_RNA)
where:
Base-Base interactions energy: -146.478
where: short stacking energy: -85.600
Base-Backbone interact. energy: -1.367
local terms energy: -115.119267
where:
bonds (distance) C4'-P energy: -33.726
bonds (distance) P-C4' energy: -37.461
flat angles C4'-P-C4' energy: -25.627
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -3.159
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: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -632.443841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.443841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.443841 (E_RNA)
where:
Base-Base interactions energy: -428.045
where: short stacking energy: -176.897
Base-Backbone interact. energy: -0.366
local terms energy: -204.032895
where:
bonds (distance) C4'-P energy: -44.109
bonds (distance) P-C4' energy: -42.075
flat angles C4'-P-C4' energy: -40.957
flat angles P-C4'-P energy: -28.028
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: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -656.462332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.462332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.462332 (E_RNA)
where:
Base-Base interactions energy: -440.967
where: short stacking energy: -196.044
Base-Backbone interact. energy: -0.057
local terms energy: -215.439009
where:
bonds (distance) C4'-P energy: -42.643
bonds (distance) P-C4' energy: -38.733
flat angles C4'-P-C4' energy: -45.221
flat angles P-C4'-P energy: -29.523
tors. eta vs tors. theta energy: -59.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -612.314949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.314949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.314949 (E_RNA)
where:
Base-Base interactions energy: -405.930
where: short stacking energy: -188.321
Base-Backbone interact. energy: -0.561
local terms energy: -205.824633
where:
bonds (distance) C4'-P energy: -36.790
bonds (distance) P-C4' energy: -40.195
flat angles C4'-P-C4' energy: -43.672
flat angles P-C4'-P energy: -28.346
tors. eta vs tors. theta energy: -56.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -515.557121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.557121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.557121 (E_RNA)
where:
Base-Base interactions energy: -356.537
where: short stacking energy: -141.112
Base-Backbone interact. energy: -0.852
local terms energy: -158.168613
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -30.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -453.341085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.341085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.341085 (E_RNA)
where:
Base-Base interactions energy: -295.135
where: short stacking energy: -128.247
Base-Backbone interact. energy: -1.991
local terms energy: -156.214699
where:
bonds (distance) C4'-P energy: -32.747
bonds (distance) P-C4' energy: -39.807
flat angles C4'-P-C4' energy: -39.606
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -22.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -498.843431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.843431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.843431 (E_RNA)
where:
Base-Base interactions energy: -330.355
where: short stacking energy: -133.293
Base-Backbone interact. energy: -0.768
local terms energy: -167.719925
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -39.671
flat angles C4'-P-C4' energy: -38.851
flat angles P-C4'-P energy: -26.348
tors. eta vs tors. theta energy: -32.192
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: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -460.336394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.336394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.336394 (E_RNA)
where:
Base-Base interactions energy: -297.726
where: short stacking energy: -125.975
Base-Backbone interact. energy: -0.776
local terms energy: -161.833581
where:
bonds (distance) C4'-P energy: -31.503
bonds (distance) P-C4' energy: -39.152
flat angles C4'-P-C4' energy: -40.842
flat angles P-C4'-P energy: -22.530
tors. eta vs tors. theta energy: -27.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -351.915610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.915610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.915610 (E_RNA)
where:
Base-Base interactions energy: -219.787
where: short stacking energy: -96.869
Base-Backbone interact. energy: -1.031
local terms energy: -131.097931
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -36.824
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -261.900265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.900265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.900265 (E_RNA)
where:
Base-Base interactions energy: -144.732
where: short stacking energy: -84.746
Base-Backbone interact. energy: -0.514
local terms energy: -116.654748
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -27.846
flat angles C4'-P-C4' energy: -27.581
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -270.536974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.536974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.536974 (E_RNA)
where:
Base-Base interactions energy: -146.045
where: short stacking energy: -90.395
Base-Backbone interact. energy: 0.993
local terms energy: -125.484318
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -35.821
flat angles C4'-P-C4' energy: -31.569
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -14.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -639.395179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.395179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.395179 (E_RNA)
where:
Base-Base interactions energy: -428.425
where: short stacking energy: -179.301
Base-Backbone interact. energy: -0.987
local terms energy: -209.984084
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -41.470
flat angles C4'-P-C4' energy: -47.366
flat angles P-C4'-P energy: -33.957
tors. eta vs tors. theta energy: -51.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -657.553183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.553183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.553183 (E_RNA)
where:
Base-Base interactions energy: -445.988
where: short stacking energy: -199.941
Base-Backbone interact. energy: -0.348
local terms energy: -211.217758
where:
bonds (distance) C4'-P energy: -39.258
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -42.197
flat angles P-C4'-P energy: -30.555
tors. eta vs tors. theta energy: -60.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -613.115460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.115460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.115460 (E_RNA)
where:
Base-Base interactions energy: -401.760
where: short stacking energy: -188.844
Base-Backbone interact. energy: -0.297
local terms energy: -211.058394
where:
bonds (distance) C4'-P energy: -34.199
bonds (distance) P-C4' energy: -47.229
flat angles C4'-P-C4' energy: -43.809
flat angles P-C4'-P energy: -28.042
tors. eta vs tors. theta energy: -57.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -457.912446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.912446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.912446 (E_RNA)
where:
Base-Base interactions energy: -294.289
where: short stacking energy: -134.229
Base-Backbone interact. energy: -0.613
local terms energy: -163.010297
where:
bonds (distance) C4'-P energy: -28.998
bonds (distance) P-C4' energy: -44.534
flat angles C4'-P-C4' energy: -41.242
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -26.854
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: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -506.749263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.749263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.749263 (E_RNA)
where:
Base-Base interactions energy: -341.898
where: short stacking energy: -147.280
Base-Backbone interact. energy: 1.853
local terms energy: -166.704417
where:
bonds (distance) C4'-P energy: -27.288
bonds (distance) P-C4' energy: -45.166
flat angles C4'-P-C4' energy: -30.619
flat angles P-C4'-P energy: -29.614
tors. eta vs tors. theta energy: -34.017
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: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -517.727970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.727970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.727970 (E_RNA)
where:
Base-Base interactions energy: -354.725
where: short stacking energy: -144.274
Base-Backbone interact. energy: -0.288
local terms energy: -162.714891
where:
bonds (distance) C4'-P energy: -37.047
bonds (distance) P-C4' energy: -37.856
flat angles C4'-P-C4' energy: -32.802
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -33.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -441.581721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.581721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.581721 (E_RNA)
where:
Base-Base interactions energy: -285.545
where: short stacking energy: -124.686
Base-Backbone interact. energy: -1.341
local terms energy: -154.695864
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -34.736
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -33.988
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -342.689121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.689121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.689121 (E_RNA)
where:
Base-Base interactions energy: -209.627
where: short stacking energy: -99.010
Base-Backbone interact. energy: -0.288
local terms energy: -132.773994
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -17.686
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: 9, replica: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -262.947578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.947578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.947578 (E_RNA)
where:
Base-Base interactions energy: -142.805
where: short stacking energy: -79.761
Base-Backbone interact. energy: -0.539
local terms energy: -119.603225
where:
bonds (distance) C4'-P energy: -29.485
bonds (distance) P-C4' energy: -27.325
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -260.182423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.182423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.182423 (E_RNA)
where:
Base-Base interactions energy: -132.060
where: short stacking energy: -74.038
Base-Backbone interact. energy: -1.022
local terms energy: -127.100646
where:
bonds (distance) C4'-P energy: -33.251
bonds (distance) P-C4' energy: -29.494
flat angles C4'-P-C4' energy: -27.700
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -15.746
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: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -642.321427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.321427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.321427 (E_RNA)
where:
Base-Base interactions energy: -436.622
where: short stacking energy: -186.895
Base-Backbone interact. energy: 0.069
local terms energy: -205.768387
where:
bonds (distance) C4'-P energy: -41.453
bonds (distance) P-C4' energy: -35.476
flat angles C4'-P-C4' energy: -41.548
flat angles P-C4'-P energy: -30.432
tors. eta vs tors. theta energy: -56.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -645.751269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.751269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.751269 (E_RNA)
where:
Base-Base interactions energy: -451.547
where: short stacking energy: -200.816
Base-Backbone interact. energy: 0.249
local terms energy: -194.453238
where:
bonds (distance) C4'-P energy: -36.618
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -38.408
flat angles P-C4'-P energy: -30.932
tors. eta vs tors. theta energy: -56.326
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: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -619.203002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.203002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.203002 (E_RNA)
where:
Base-Base interactions energy: -419.817
where: short stacking energy: -196.938
Base-Backbone interact. energy: -0.136
local terms energy: -199.249698
where:
bonds (distance) C4'-P energy: -38.409
bonds (distance) P-C4' energy: -33.574
flat angles C4'-P-C4' energy: -41.043
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -62.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -496.312479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.312479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.312479 (E_RNA)
where:
Base-Base interactions energy: -308.518
where: short stacking energy: -154.933
Base-Backbone interact. energy: -0.290
local terms energy: -187.504689
where:
bonds (distance) C4'-P energy: -41.842
bonds (distance) P-C4' energy: -34.029
flat angles C4'-P-C4' energy: -39.595
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: -46.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -479.635040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.635040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.635040 (E_RNA)
where:
Base-Base interactions energy: -316.110
where: short stacking energy: -132.901
Base-Backbone interact. energy: -1.428
local terms energy: -162.096555
where:
bonds (distance) C4'-P energy: -32.470
bonds (distance) P-C4' energy: -37.811
flat angles C4'-P-C4' energy: -33.942
flat angles P-C4'-P energy: -27.074
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: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -487.054389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.054389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.054389 (E_RNA)
where:
Base-Base interactions energy: -322.093
where: short stacking energy: -139.439
Base-Backbone interact. energy: -1.362
local terms energy: -163.599519
where:
bonds (distance) C4'-P energy: -39.207
bonds (distance) P-C4' energy: -38.060
flat angles C4'-P-C4' energy: -34.076
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -32.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -472.803772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.803772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.803772 (E_RNA)
where:
Base-Base interactions energy: -326.900
where: short stacking energy: -144.253
Base-Backbone interact. energy: -1.662
local terms energy: -144.241748
where:
bonds (distance) C4'-P energy: -35.852
bonds (distance) P-C4' energy: -26.699
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -22.602
tors. eta vs tors. theta energy: -24.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -321.978973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.978973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.978973 (E_RNA)
where:
Base-Base interactions energy: -212.648
where: short stacking energy: -91.708
Base-Backbone interact. energy: 0.626
local terms energy: -109.956667
where:
bonds (distance) C4'-P energy: -31.649
bonds (distance) P-C4' energy: -29.362
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -14.936
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: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -268.855349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.855349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.855349 (E_RNA)
where:
Base-Base interactions energy: -140.336
where: short stacking energy: -83.684
Base-Backbone interact. energy: 0.026
local terms energy: -128.545268
where:
bonds (distance) C4'-P energy: -33.623
bonds (distance) P-C4' energy: -38.849
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -251.659717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.659717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.659717 (E_RNA)
where:
Base-Base interactions energy: -131.404
where: short stacking energy: -74.051
Base-Backbone interact. energy: -0.455
local terms energy: -119.800690
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -36.696
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -22.025
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: 269
Temperature: 0.900000
Total energy: -653.274078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.274078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.274078 (E_RNA)
where:
Base-Base interactions energy: -438.174
where: short stacking energy: -194.110
Base-Backbone interact. energy: -0.442
local terms energy: -214.658517
where:
bonds (distance) C4'-P energy: -37.272
bonds (distance) P-C4' energy: -42.718
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -30.349
tors. eta vs tors. theta energy: -58.561
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: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -663.060966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.060966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.060966 (E_RNA)
where:
Base-Base interactions energy: -450.061
where: short stacking energy: -193.122
Base-Backbone interact. energy: -0.780
local terms energy: -212.220041
where:
bonds (distance) C4'-P energy: -33.252
bonds (distance) P-C4' energy: -44.914
flat angles C4'-P-C4' energy: -44.835
flat angles P-C4'-P energy: -30.054
tors. eta vs tors. theta energy: -59.166
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: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -614.249973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.249973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.249973 (E_RNA)
where:
Base-Base interactions energy: -413.996
where: short stacking energy: -203.594
Base-Backbone interact. energy: 1.600
local terms energy: -201.854636
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -33.283
flat angles C4'-P-C4' energy: -40.936
flat angles P-C4'-P energy: -32.497
tors. eta vs tors. theta energy: -59.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -510.947163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.947163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.947163 (E_RNA)
where:
Base-Base interactions energy: -347.845
where: short stacking energy: -145.780
Base-Backbone interact. energy: -0.048
local terms energy: -163.054253
where:
bonds (distance) C4'-P energy: -39.747
bonds (distance) P-C4' energy: -31.947
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: -33.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -491.436684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.436684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.436684 (E_RNA)
where:
Base-Base interactions energy: -320.799
where: short stacking energy: -164.743
Base-Backbone interact. energy: -0.918
local terms energy: -169.720188
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -42.423
flat angles P-C4'-P energy: -24.459
tors. eta vs tors. theta energy: -39.657
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: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -463.044652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.044652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.044652 (E_RNA)
where:
Base-Base interactions energy: -310.851
where: short stacking energy: -132.404
Base-Backbone interact. energy: -0.426
local terms energy: -151.768128
where:
bonds (distance) C4'-P energy: -38.353
bonds (distance) P-C4' energy: -41.241
flat angles C4'-P-C4' energy: -32.134
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -462.320304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.320304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.320304 (E_RNA)
where:
Base-Base interactions energy: -306.443
where: short stacking energy: -138.855
Base-Backbone interact. energy: -0.417
local terms energy: -155.460478
where:
bonds (distance) C4'-P energy: -34.848
bonds (distance) P-C4' energy: -43.342
flat angles C4'-P-C4' energy: -29.094
flat angles P-C4'-P energy: -14.599
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: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -271.949394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.949394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.949394 (E_RNA)
where:
Base-Base interactions energy: -150.378
where: short stacking energy: -76.352
Base-Backbone interact. energy: -0.472
local terms energy: -121.099785
where:
bonds (distance) C4'-P energy: -30.551
bonds (distance) P-C4' energy: -31.084
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -324.541049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.541049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.541049 (E_RNA)
where:
Base-Base interactions energy: -202.999
where: short stacking energy: -85.129
Base-Backbone interact. energy: -1.993
local terms energy: -119.549044
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -26.233
flat angles P-C4'-P energy: -27.869
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: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -262.267210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.267210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.267210 (E_RNA)
where:
Base-Base interactions energy: -130.372
where: short stacking energy: -71.070
Base-Backbone interact. energy: 0.498
local terms energy: -132.392691
where:
bonds (distance) C4'-P energy: -32.010
bonds (distance) P-C4' energy: -26.207
flat angles C4'-P-C4' energy: -34.889
flat angles P-C4'-P energy: -27.450
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -669.416849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.416849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.416849 (E_RNA)
where:
Base-Base interactions energy: -463.254
where: short stacking energy: -207.744
Base-Backbone interact. energy: 0.414
local terms energy: -206.576875
where:
bonds (distance) C4'-P energy: -35.519
bonds (distance) P-C4' energy: -39.848
flat angles C4'-P-C4' energy: -43.235
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -60.617
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: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -644.792551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.792551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.792551 (E_RNA)
where:
Base-Base interactions energy: -438.230
where: short stacking energy: -190.611
Base-Backbone interact. energy: -0.329
local terms energy: -206.233683
where:
bonds (distance) C4'-P energy: -32.028
bonds (distance) P-C4' energy: -40.092
flat angles C4'-P-C4' energy: -44.985
flat angles P-C4'-P energy: -31.171
tors. eta vs tors. theta energy: -57.957
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: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -627.135025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.135025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.135025 (E_RNA)
where:
Base-Base interactions energy: -423.983
where: short stacking energy: -200.123
Base-Backbone interact. energy: 0.705
local terms energy: -203.856617
where:
bonds (distance) C4'-P energy: -36.584
bonds (distance) P-C4' energy: -35.908
flat angles C4'-P-C4' energy: -44.214
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -58.619
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: 4, replica: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -490.898818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.898818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.898818 (E_RNA)
where:
Base-Base interactions energy: -318.645
where: short stacking energy: -137.206
Base-Backbone interact. energy: -0.380
local terms energy: -171.873777
where:
bonds (distance) C4'-P energy: -36.057
bonds (distance) P-C4' energy: -40.686
flat angles C4'-P-C4' energy: -34.986
flat angles P-C4'-P energy: -25.809
tors. eta vs tors. theta energy: -34.336
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: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -476.662017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.662017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.662017 (E_RNA)
where:
Base-Base interactions energy: -317.637
where: short stacking energy: -145.607
Base-Backbone interact. energy: -0.654
local terms energy: -158.370779
where:
bonds (distance) C4'-P energy: -36.106
bonds (distance) P-C4' energy: -32.367
flat angles C4'-P-C4' energy: -36.036
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -33.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -466.956151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.956151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.956151 (E_RNA)
where:
Base-Base interactions energy: -293.166
where: short stacking energy: -132.347
Base-Backbone interact. energy: -1.014
local terms energy: -172.776789
where:
bonds (distance) C4'-P energy: -40.982
bonds (distance) P-C4' energy: -37.246
flat angles C4'-P-C4' energy: -35.059
flat angles P-C4'-P energy: -23.669
tors. eta vs tors. theta energy: -35.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -440.961377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.961377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.961377 (E_RNA)
where:
Base-Base interactions energy: -287.612
where: short stacking energy: -113.195
Base-Backbone interact. energy: -0.470
local terms energy: -152.878939
where:
bonds (distance) C4'-P energy: -30.516
bonds (distance) P-C4' energy: -40.145
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -21.745
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -292.472336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.472336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.472336 (E_RNA)
where:
Base-Base interactions energy: -166.381
where: short stacking energy: -99.281
Base-Backbone interact. energy: 0.593
local terms energy: -126.684344
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -19.759
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: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -326.301228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.301228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.301228 (E_RNA)
where:
Base-Base interactions energy: -206.340
where: short stacking energy: -94.859
Base-Backbone interact. energy: -1.588
local terms energy: -118.372754
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -28.348
flat angles C4'-P-C4' energy: -33.765
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -10.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -253.196999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.196999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.196999 (E_RNA)
where:
Base-Base interactions energy: -129.941
where: short stacking energy: -72.959
Base-Backbone interact. energy: -0.562
local terms energy: -122.694331
where:
bonds (distance) C4'-P energy: -30.232
bonds (distance) P-C4' energy: -34.921
flat angles C4'-P-C4' energy: -37.710
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -673.787266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.787266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.787266 (E_RNA)
where:
Base-Base interactions energy: -470.948
where: short stacking energy: -197.611
Base-Backbone interact. energy: -0.683
local terms energy: -202.156603
where:
bonds (distance) C4'-P energy: -43.484
bonds (distance) P-C4' energy: -37.544
flat angles C4'-P-C4' energy: -39.740
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -54.108
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: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -633.328641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.328641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.328641 (E_RNA)
where:
Base-Base interactions energy: -416.789
where: short stacking energy: -189.585
Base-Backbone interact. energy: -0.152
local terms energy: -216.387139
where:
bonds (distance) C4'-P energy: -37.587
bonds (distance) P-C4' energy: -40.138
flat angles C4'-P-C4' energy: -44.348
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: -62.768
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: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -609.909041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.909041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.909041 (E_RNA)
where:
Base-Base interactions energy: -416.455
where: short stacking energy: -180.171
Base-Backbone interact. energy: -1.342
local terms energy: -192.112865
where:
bonds (distance) C4'-P energy: -36.900
bonds (distance) P-C4' energy: -37.881
flat angles C4'-P-C4' energy: -39.690
flat angles P-C4'-P energy: -24.312
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: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -500.530379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.530379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.530379 (E_RNA)
where:
Base-Base interactions energy: -335.170
where: short stacking energy: -161.353
Base-Backbone interact. energy: -1.264
local terms energy: -164.096378
where:
bonds (distance) C4'-P energy: -33.754
bonds (distance) P-C4' energy: -36.409
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -24.900
tors. eta vs tors. theta energy: -35.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -479.529326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.529326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.529326 (E_RNA)
where:
Base-Base interactions energy: -321.615
where: short stacking energy: -138.608
Base-Backbone interact. energy: -0.292
local terms energy: -157.621884
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -38.026
flat angles C4'-P-C4' energy: -35.874
flat angles P-C4'-P energy: -24.672
tors. eta vs tors. theta energy: -33.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -475.411371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.411371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.411371 (E_RNA)
where:
Base-Base interactions energy: -312.564
where: short stacking energy: -143.728
Base-Backbone interact. energy: 2.168
local terms energy: -165.015686
where:
bonds (distance) C4'-P energy: -33.771
bonds (distance) P-C4' energy: -38.761
flat angles C4'-P-C4' energy: -35.637
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -38.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -452.549315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.549315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.549315 (E_RNA)
where:
Base-Base interactions energy: -292.988
where: short stacking energy: -136.801
Base-Backbone interact. energy: -0.204
local terms energy: -159.357252
where:
bonds (distance) C4'-P energy: -27.319
bonds (distance) P-C4' energy: -40.659
flat angles C4'-P-C4' energy: -35.127
flat angles P-C4'-P energy: -24.864
tors. eta vs tors. theta energy: -31.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -309.844923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.844923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.844923 (E_RNA)
where:
Base-Base interactions energy: -168.038
where: short stacking energy: -92.464
Base-Backbone interact. energy: -0.506
local terms energy: -141.300106
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -36.532
flat angles C4'-P-C4' energy: -33.430
flat angles P-C4'-P energy: -29.751
tors. eta vs tors. theta energy: -18.525
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: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -272.697554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.697554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.697554 (E_RNA)
where:
Base-Base interactions energy: -150.823
where: short stacking energy: -73.823
Base-Backbone interact. energy: -0.329
local terms energy: -121.545355
where:
bonds (distance) C4'-P energy: -32.475
bonds (distance) P-C4' energy: -26.878
flat angles C4'-P-C4' energy: -36.223
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -6.780
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: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -275.404456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.404456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.404456 (E_RNA)
where:
Base-Base interactions energy: -157.083
where: short stacking energy: -67.923
Base-Backbone interact. energy: 1.452
local terms energy: -119.773724
where:
bonds (distance) C4'-P energy: -37.471
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -19.583
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -641.330878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.330878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.330878 (E_RNA)
where:
Base-Base interactions energy: -425.567
where: short stacking energy: -196.023
Base-Backbone interact. energy: -0.649
local terms energy: -215.114874
where:
bonds (distance) C4'-P energy: -35.168
bonds (distance) P-C4' energy: -43.287
flat angles C4'-P-C4' energy: -44.377
flat angles P-C4'-P energy: -31.593
tors. eta vs tors. theta energy: -60.689
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: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -656.434235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.434235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.434235 (E_RNA)
where:
Base-Base interactions energy: -445.834
where: short stacking energy: -186.409
Base-Backbone interact. energy: -0.036
local terms energy: -210.564050
where:
bonds (distance) C4'-P energy: -36.693
bonds (distance) P-C4' energy: -41.529
flat angles C4'-P-C4' energy: -45.711
flat angles P-C4'-P energy: -27.520
tors. eta vs tors. theta energy: -59.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -601.574543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.574543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.574543 (E_RNA)
where:
Base-Base interactions energy: -405.858
where: short stacking energy: -197.085
Base-Backbone interact. energy: 0.790
local terms energy: -196.506463
where:
bonds (distance) C4'-P energy: -32.518
bonds (distance) P-C4' energy: -40.936
flat angles C4'-P-C4' energy: -44.393
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -56.282
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: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -506.945166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.945166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.945166 (E_RNA)
where:
Base-Base interactions energy: -340.502
where: short stacking energy: -158.973
Base-Backbone interact. energy: -0.937
local terms energy: -165.506323
where:
bonds (distance) C4'-P energy: -29.578
bonds (distance) P-C4' energy: -38.053
flat angles C4'-P-C4' energy: -36.630
flat angles P-C4'-P energy: -24.750
tors. eta vs tors. theta energy: -36.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -491.652075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.652075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.652075 (E_RNA)
where:
Base-Base interactions energy: -314.649
where: short stacking energy: -144.596
Base-Backbone interact. energy: 0.603
local terms energy: -177.606142
where:
bonds (distance) C4'-P energy: -35.421
bonds (distance) P-C4' energy: -38.848
flat angles C4'-P-C4' energy: -37.785
flat angles P-C4'-P energy: -23.739
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: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -466.354119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.354119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.354119 (E_RNA)
where:
Base-Base interactions energy: -304.656
where: short stacking energy: -147.703
Base-Backbone interact. energy: -0.174
local terms energy: -161.524627
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -35.468
flat angles C4'-P-C4' energy: -43.362
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -36.886
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: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -449.067453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.067453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.067453 (E_RNA)
where:
Base-Base interactions energy: -305.604
where: short stacking energy: -131.360
Base-Backbone interact. energy: -0.453
local terms energy: -143.010073
where:
bonds (distance) C4'-P energy: -31.986
bonds (distance) P-C4' energy: -37.956
flat angles C4'-P-C4' energy: -31.481
flat angles P-C4'-P energy: -23.220
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -293.803131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.803131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.803131 (E_RNA)
where:
Base-Base interactions energy: -154.489
where: short stacking energy: -73.736
Base-Backbone interact. energy: 0.142
local terms energy: -139.455486
where:
bonds (distance) C4'-P energy: -33.507
bonds (distance) P-C4' energy: -33.728
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -26.209
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -263.675757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.675757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.675757 (E_RNA)
where:
Base-Base interactions energy: -140.428
where: short stacking energy: -76.029
Base-Backbone interact. energy: 2.889
local terms energy: -126.136771
where:
bonds (distance) C4'-P energy: -35.756
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -20.071
tors. eta vs tors. theta energy: -7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -257.078293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.078293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.078293 (E_RNA)
where:
Base-Base interactions energy: -132.309
where: short stacking energy: -68.663
Base-Backbone interact. energy: -0.707
local terms energy: -124.062582
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -35.878
flat angles C4'-P-C4' energy: -32.219
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -644.840981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.840981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.840981 (E_RNA)
where:
Base-Base interactions energy: -429.498
where: short stacking energy: -210.807
Base-Backbone interact. energy: 0.069
local terms energy: -215.412357
where:
bonds (distance) C4'-P energy: -38.562
bonds (distance) P-C4' energy: -35.772
flat angles C4'-P-C4' energy: -42.543
flat angles P-C4'-P energy: -35.523
tors. eta vs tors. theta energy: -63.012
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: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -664.564850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.564850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.564850 (E_RNA)
where:
Base-Base interactions energy: -439.392
where: short stacking energy: -197.601
Base-Backbone interact. energy: -0.138
local terms energy: -225.035230
where:
bonds (distance) C4'-P energy: -40.777
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -45.696
flat angles P-C4'-P energy: -33.378
tors. eta vs tors. theta energy: -61.654
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: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -608.754691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.754691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.754691 (E_RNA)
where:
Base-Base interactions energy: -417.590
where: short stacking energy: -175.720
Base-Backbone interact. energy: -0.256
local terms energy: -190.908727
where:
bonds (distance) C4'-P energy: -32.840
bonds (distance) P-C4' energy: -40.066
flat angles C4'-P-C4' energy: -42.226
flat angles P-C4'-P energy: -30.286
tors. eta vs tors. theta energy: -45.490
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: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -507.909506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.909506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.909506 (E_RNA)
where:
Base-Base interactions energy: -336.417
where: short stacking energy: -137.262
Base-Backbone interact. energy: 0.157
local terms energy: -171.648944
where:
bonds (distance) C4'-P energy: -32.074
bonds (distance) P-C4' energy: -42.572
flat angles C4'-P-C4' energy: -30.154
flat angles P-C4'-P energy: -30.416
tors. eta vs tors. theta energy: -36.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -468.577591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.577591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.577591 (E_RNA)
where:
Base-Base interactions energy: -300.956
where: short stacking energy: -135.227
Base-Backbone interact. energy: -2.121
local terms energy: -165.500519
where:
bonds (distance) C4'-P energy: -38.476
bonds (distance) P-C4' energy: -38.381
flat angles C4'-P-C4' energy: -39.971
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -30.249
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: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -495.129994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.129994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.129994 (E_RNA)
where:
Base-Base interactions energy: -322.679
where: short stacking energy: -153.175
Base-Backbone interact. energy: -0.550
local terms energy: -171.900755
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -37.032
flat angles C4'-P-C4' energy: -43.471
flat angles P-C4'-P energy: -21.975
tors. eta vs tors. theta energy: -35.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -455.649446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.649446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.649446 (E_RNA)
where:
Base-Base interactions energy: -285.738
where: short stacking energy: -119.254
Base-Backbone interact. energy: -0.223
local terms energy: -169.688249
where:
bonds (distance) C4'-P energy: -35.730
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -40.537
flat angles P-C4'-P energy: -25.879
tors. eta vs tors. theta energy: -29.151
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: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -311.141220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.141220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.141220 (E_RNA)
where:
Base-Base interactions energy: -170.530
where: short stacking energy: -100.531
Base-Backbone interact. energy: -0.534
local terms energy: -140.077351
where:
bonds (distance) C4'-P energy: -30.447
bonds (distance) P-C4' energy: -36.371
flat angles C4'-P-C4' energy: -35.507
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -256.151846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.151846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.151846 (E_RNA)
where:
Base-Base interactions energy: -126.691
where: short stacking energy: -69.557
Base-Backbone interact. energy: -1.211
local terms energy: -128.249987
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -37.093
flat angles C4'-P-C4' energy: -28.412
flat angles P-C4'-P energy: -26.191
tors. eta vs tors. theta energy: -0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -263.943077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.943077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.943077 (E_RNA)
where:
Base-Base interactions energy: -135.057
where: short stacking energy: -78.778
Base-Backbone interact. energy: -0.796
local terms energy: -128.090722
where:
bonds (distance) C4'-P energy: -34.909
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -30.540
flat angles P-C4'-P energy: -26.563
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -648.505933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.505933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.505933 (E_RNA)
where:
Base-Base interactions energy: -436.578
where: short stacking energy: -196.429
Base-Backbone interact. energy: -0.542
local terms energy: -211.386188
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -42.196
flat angles C4'-P-C4' energy: -47.795
flat angles P-C4'-P energy: -28.775
tors. eta vs tors. theta energy: -61.099
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: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -651.415462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.415462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.415462 (E_RNA)
where:
Base-Base interactions energy: -440.217
where: short stacking energy: -193.782
Base-Backbone interact. energy: -0.107
local terms energy: -211.090744
where:
bonds (distance) C4'-P energy: -37.305
bonds (distance) P-C4' energy: -37.864
flat angles C4'-P-C4' energy: -48.769
flat angles P-C4'-P energy: -29.683
tors. eta vs tors. theta energy: -57.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -589.597624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.597624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.597624 (E_RNA)
where:
Base-Base interactions energy: -394.326
where: short stacking energy: -169.970
Base-Backbone interact. energy: 0.631
local terms energy: -195.902382
where:
bonds (distance) C4'-P energy: -42.311
bonds (distance) P-C4' energy: -41.506
flat angles C4'-P-C4' energy: -38.593
flat angles P-C4'-P energy: -26.179
tors. eta vs tors. theta energy: -47.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -504.382912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.382912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.382912 (E_RNA)
where:
Base-Base interactions energy: -343.736
where: short stacking energy: -148.568
Base-Backbone interact. energy: -0.654
local terms energy: -159.993113
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -41.833
flat angles C4'-P-C4' energy: -32.235
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -34.185
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: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -491.561668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.561668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.561668 (E_RNA)
where:
Base-Base interactions energy: -316.313
where: short stacking energy: -140.952
Base-Backbone interact. energy: 0.309
local terms energy: -175.557467
where:
bonds (distance) C4'-P energy: -40.251
bonds (distance) P-C4' energy: -36.016
flat angles C4'-P-C4' energy: -36.483
flat angles P-C4'-P energy: -29.008
tors. eta vs tors. theta energy: -33.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -454.177133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.177133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.177133 (E_RNA)
where:
Base-Base interactions energy: -290.775
where: short stacking energy: -113.868
Base-Backbone interact. energy: -1.542
local terms energy: -161.859937
where:
bonds (distance) C4'-P energy: -43.004
bonds (distance) P-C4' energy: -38.809
flat angles C4'-P-C4' energy: -40.762
flat angles P-C4'-P energy: -22.434
tors. eta vs tors. theta energy: -16.851
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: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -449.035782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.035782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.035782 (E_RNA)
where:
Base-Base interactions energy: -274.366
where: short stacking energy: -124.153
Base-Backbone interact. energy: -0.989
local terms energy: -173.680364
where:
bonds (distance) C4'-P energy: -41.125
bonds (distance) P-C4' energy: -41.590
flat angles C4'-P-C4' energy: -37.754
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -27.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -309.401458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.401458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.401458 (E_RNA)
where:
Base-Base interactions energy: -162.558
where: short stacking energy: -88.250
Base-Backbone interact. energy: -1.313
local terms energy: -145.529730
where:
bonds (distance) C4'-P energy: -35.034
bonds (distance) P-C4' energy: -36.535
flat angles C4'-P-C4' energy: -39.186
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -248.907362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.907362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.907362 (E_RNA)
where:
Base-Base interactions energy: -139.818
where: short stacking energy: -76.870
Base-Backbone interact. energy: -0.712
local terms energy: -108.377935
where:
bonds (distance) C4'-P energy: -26.882
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -34.400
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -2.921
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: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -241.098028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.098028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.098028 (E_RNA)
where:
Base-Base interactions energy: -125.104
where: short stacking energy: -60.696
Base-Backbone interact. energy: -0.579
local terms energy: -115.415063
where:
bonds (distance) C4'-P energy: -30.546
bonds (distance) P-C4' energy: -37.975
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -6.699
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: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -639.730549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.730549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.730549 (E_RNA)
where:
Base-Base interactions energy: -420.909
where: short stacking energy: -197.668
Base-Backbone interact. energy: 0.619
local terms energy: -219.440380
where:
bonds (distance) C4'-P energy: -35.052
bonds (distance) P-C4' energy: -42.521
flat angles C4'-P-C4' energy: -43.773
flat angles P-C4'-P energy: -30.601
tors. eta vs tors. theta energy: -67.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -623.796313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.796313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.796313 (E_RNA)
where:
Base-Base interactions energy: -422.684
where: short stacking energy: -191.390
Base-Backbone interact. energy: -0.506
local terms energy: -200.607174
where:
bonds (distance) C4'-P energy: -41.231
bonds (distance) P-C4' energy: -37.744
flat angles C4'-P-C4' energy: -45.330
flat angles P-C4'-P energy: -25.161
tors. eta vs tors. theta energy: -51.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -656.788482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.788482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.788482 (E_RNA)
where:
Base-Base interactions energy: -456.453
where: short stacking energy: -198.137
Base-Backbone interact. energy: -0.464
local terms energy: -199.872107
where:
bonds (distance) C4'-P energy: -36.887
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -39.108
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -62.626
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: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -510.909066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.909066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.909066 (E_RNA)
where:
Base-Base interactions energy: -336.708
where: short stacking energy: -144.596
Base-Backbone interact. energy: -0.727
local terms energy: -173.474702
where:
bonds (distance) C4'-P energy: -34.757
bonds (distance) P-C4' energy: -39.075
flat angles C4'-P-C4' energy: -37.066
flat angles P-C4'-P energy: -31.506
tors. eta vs tors. theta energy: -31.071
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: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -490.632336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.632336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.632336 (E_RNA)
where:
Base-Base interactions energy: -331.364
where: short stacking energy: -157.121
Base-Backbone interact. energy: -0.363
local terms energy: -158.905570
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -38.067
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -40.870
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: 275
Temperature: 1.150000
Total energy: -460.548070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.548070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.548070 (E_RNA)
where:
Base-Base interactions energy: -296.788
where: short stacking energy: -125.160
Base-Backbone interact. energy: 1.539
local terms energy: -165.299034
where:
bonds (distance) C4'-P energy: -34.228
bonds (distance) P-C4' energy: -43.606
flat angles C4'-P-C4' energy: -39.071
flat angles P-C4'-P energy: -24.136
tors. eta vs tors. theta energy: -24.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -459.986080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.986080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.986080 (E_RNA)
where:
Base-Base interactions energy: -307.676
where: short stacking energy: -133.321
Base-Backbone interact. energy: -1.125
local terms energy: -151.185058
where:
bonds (distance) C4'-P energy: -32.759
bonds (distance) P-C4' energy: -34.035
flat angles C4'-P-C4' energy: -29.122
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -28.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -268.814855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.814855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.814855 (E_RNA)
where:
Base-Base interactions energy: -134.586
where: short stacking energy: -74.526
Base-Backbone interact. energy: -0.664
local terms energy: -133.565004
where:
bonds (distance) C4'-P energy: -39.281
bonds (distance) P-C4' energy: -38.857
flat angles C4'-P-C4' energy: -27.881
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -292.093966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.093966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.093966 (E_RNA)
where:
Base-Base interactions energy: -152.601
where: short stacking energy: -89.605
Base-Backbone interact. energy: 0.493
local terms energy: -139.985741
where:
bonds (distance) C4'-P energy: -40.111
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -25.625
tors. eta vs tors. theta energy: -13.972
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: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -244.465286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.465286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.465286 (E_RNA)
where:
Base-Base interactions energy: -124.322
where: short stacking energy: -66.451
Base-Backbone interact. energy: -0.510
local terms energy: -119.633051
where:
bonds (distance) C4'-P energy: -36.882
bonds (distance) P-C4' energy: -40.618
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: 0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -634.732234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.732234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.732234 (E_RNA)
where:
Base-Base interactions energy: -417.793
where: short stacking energy: -173.412
Base-Backbone interact. energy: -0.677
local terms energy: -216.262712
where:
bonds (distance) C4'-P energy: -43.421
bonds (distance) P-C4' energy: -45.285
flat angles C4'-P-C4' energy: -42.402
flat angles P-C4'-P energy: -31.378
tors. eta vs tors. theta energy: -53.777
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: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -645.588228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.588228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.588228 (E_RNA)
where:
Base-Base interactions energy: -440.033
where: short stacking energy: -203.705
Base-Backbone interact. energy: -0.182
local terms energy: -205.372309
where:
bonds (distance) C4'-P energy: -36.626
bonds (distance) P-C4' energy: -37.653
flat angles C4'-P-C4' energy: -40.528
flat angles P-C4'-P energy: -30.622
tors. eta vs tors. theta energy: -59.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -640.950295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.950295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.950295 (E_RNA)
where:
Base-Base interactions energy: -441.757
where: short stacking energy: -191.570
Base-Backbone interact. energy: -0.335
local terms energy: -198.858248
where:
bonds (distance) C4'-P energy: -34.146
bonds (distance) P-C4' energy: -38.500
flat angles C4'-P-C4' energy: -35.105
flat angles P-C4'-P energy: -31.291
tors. eta vs tors. theta energy: -59.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -501.905721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.905721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.905721 (E_RNA)
where:
Base-Base interactions energy: -338.174
where: short stacking energy: -139.126
Base-Backbone interact. energy: -0.498
local terms energy: -163.233380
where:
bonds (distance) C4'-P energy: -44.937
bonds (distance) P-C4' energy: -31.232
flat angles C4'-P-C4' energy: -41.150
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -30.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -477.334968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.334968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.334968 (E_RNA)
where:
Base-Base interactions energy: -302.442
where: short stacking energy: -147.964
Base-Backbone interact. energy: -0.198
local terms energy: -174.695803
where:
bonds (distance) C4'-P energy: -35.626
bonds (distance) P-C4' energy: -41.039
flat angles C4'-P-C4' energy: -36.372
flat angles P-C4'-P energy: -27.185
tors. eta vs tors. theta energy: -34.474
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: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -462.632764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.632764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.632764 (E_RNA)
where:
Base-Base interactions energy: -301.494
where: short stacking energy: -140.620
Base-Backbone interact. energy: -0.752
local terms energy: -160.387693
where:
bonds (distance) C4'-P energy: -39.726
bonds (distance) P-C4' energy: -38.808
flat angles C4'-P-C4' energy: -30.378
flat angles P-C4'-P energy: -20.172
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: 7, replica: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -454.520363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.520363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.520363 (E_RNA)
where:
Base-Base interactions energy: -289.206
where: short stacking energy: -123.404
Base-Backbone interact. energy: 1.044
local terms energy: -166.358351
where:
bonds (distance) C4'-P energy: -38.181
bonds (distance) P-C4' energy: -32.691
flat angles C4'-P-C4' energy: -37.053
flat angles P-C4'-P energy: -28.782
tors. eta vs tors. theta energy: -29.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -295.495110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.495110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.495110 (E_RNA)
where:
Base-Base interactions energy: -170.323
where: short stacking energy: -97.791
Base-Backbone interact. energy: -0.592
local terms energy: -124.580188
where:
bonds (distance) C4'-P energy: -36.668
bonds (distance) P-C4' energy: -33.934
flat angles C4'-P-C4' energy: -32.933
flat angles P-C4'-P energy: -12.516
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: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -290.744989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.744989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.744989 (E_RNA)
where:
Base-Base interactions energy: -160.557
where: short stacking energy: -90.578
Base-Backbone interact. energy: -0.258
local terms energy: -129.930324
where:
bonds (distance) C4'-P energy: -39.051
bonds (distance) P-C4' energy: -38.112
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -255.422784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.422784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.422784 (E_RNA)
where:
Base-Base interactions energy: -152.124
where: short stacking energy: -85.345
Base-Backbone interact. energy: -0.226
local terms energy: -103.072311
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -27.471
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -14.789
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: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -660.078929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.078929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.078929 (E_RNA)
where:
Base-Base interactions energy: -429.308
where: short stacking energy: -194.525
Base-Backbone interact. energy: -0.462
local terms energy: -230.308935
where:
bonds (distance) C4'-P energy: -43.203
bonds (distance) P-C4' energy: -40.194
flat angles C4'-P-C4' energy: -52.533
flat angles P-C4'-P energy: -33.748
tors. eta vs tors. theta energy: -60.631
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: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -662.917309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.917309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.917309 (E_RNA)
where:
Base-Base interactions energy: -448.517
where: short stacking energy: -187.795
Base-Backbone interact. energy: 0.338
local terms energy: -214.738211
where:
bonds (distance) C4'-P energy: -42.306
bonds (distance) P-C4' energy: -36.454
flat angles C4'-P-C4' energy: -45.616
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -57.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -622.466694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.466694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.466694 (E_RNA)
where:
Base-Base interactions energy: -414.883
where: short stacking energy: -195.359
Base-Backbone interact. energy: -0.105
local terms energy: -207.478972
where:
bonds (distance) C4'-P energy: -34.242
bonds (distance) P-C4' energy: -37.546
flat angles C4'-P-C4' energy: -42.371
flat angles P-C4'-P energy: -33.024
tors. eta vs tors. theta energy: -60.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -507.175395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.175395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.175395 (E_RNA)
where:
Base-Base interactions energy: -330.650
where: short stacking energy: -158.745
Base-Backbone interact. energy: 1.047
local terms energy: -177.571950
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -48.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -490.052043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.052043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.052043 (E_RNA)
where:
Base-Base interactions energy: -315.664
where: short stacking energy: -136.088
Base-Backbone interact. energy: -1.491
local terms energy: -172.897307
where:
bonds (distance) C4'-P energy: -38.764
bonds (distance) P-C4' energy: -33.106
flat angles C4'-P-C4' energy: -39.015
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -34.875
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: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -481.036319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.036319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.036319 (E_RNA)
where:
Base-Base interactions energy: -317.383
where: short stacking energy: -138.620
Base-Backbone interact. energy: -0.721
local terms energy: -162.932760
where:
bonds (distance) C4'-P energy: -36.891
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -43.846
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -27.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -432.641884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.641884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.641884 (E_RNA)
where:
Base-Base interactions energy: -288.276
where: short stacking energy: -129.444
Base-Backbone interact. energy: -1.484
local terms energy: -142.881922
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -38.817
flat angles C4'-P-C4' energy: -31.619
flat angles P-C4'-P energy: -25.304
tors. eta vs tors. theta energy: -22.045
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: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -332.170671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.170671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.170671 (E_RNA)
where:
Base-Base interactions energy: -191.352
where: short stacking energy: -102.726
Base-Backbone interact. energy: -0.688
local terms energy: -140.131139
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -34.595
flat angles C4'-P-C4' energy: -33.266
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -22.064
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: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -276.103442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.103442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.103442 (E_RNA)
where:
Base-Base interactions energy: -146.925
where: short stacking energy: -76.550
Base-Backbone interact. energy: 0.650
local terms energy: -129.828562
where:
bonds (distance) C4'-P energy: -34.224
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -34.850
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -249.981351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.981351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.981351 (E_RNA)
where:
Base-Base interactions energy: -122.592
where: short stacking energy: -60.464
Base-Backbone interact. energy: -0.457
local terms energy: -126.932264
where:
bonds (distance) C4'-P energy: -35.064
bonds (distance) P-C4' energy: -32.143
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -27.098
tors. eta vs tors. theta energy: -3.128
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: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -678.745538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.745538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.745538 (E_RNA)
where:
Base-Base interactions energy: -460.773
where: short stacking energy: -197.861
Base-Backbone interact. energy: -0.410
local terms energy: -217.562209
where:
bonds (distance) C4'-P energy: -39.612
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -46.617
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -66.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -637.085262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.085262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.085262 (E_RNA)
where:
Base-Base interactions energy: -434.350
where: short stacking energy: -196.712
Base-Backbone interact. energy: -0.881
local terms energy: -201.854234
where:
bonds (distance) C4'-P energy: -41.993
bonds (distance) P-C4' energy: -39.910
flat angles C4'-P-C4' energy: -39.920
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -57.905
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: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -624.950729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.950729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.950729 (E_RNA)
where:
Base-Base interactions energy: -419.610
where: short stacking energy: -196.216
Base-Backbone interact. energy: -0.284
local terms energy: -205.056192
where:
bonds (distance) C4'-P energy: -39.667
bonds (distance) P-C4' energy: -34.351
flat angles C4'-P-C4' energy: -43.681
flat angles P-C4'-P energy: -27.425
tors. eta vs tors. theta energy: -59.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -496.456085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.456085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.456085 (E_RNA)
where:
Base-Base interactions energy: -315.971
where: short stacking energy: -141.312
Base-Backbone interact. energy: 1.186
local terms energy: -181.671385
where:
bonds (distance) C4'-P energy: -39.163
bonds (distance) P-C4' energy: -36.049
flat angles C4'-P-C4' energy: -35.569
flat angles P-C4'-P energy: -30.960
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: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -485.449291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.449291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.449291 (E_RNA)
where:
Base-Base interactions energy: -329.276
where: short stacking energy: -137.956
Base-Backbone interact. energy: -0.522
local terms energy: -155.652100
where:
bonds (distance) C4'-P energy: -27.053
bonds (distance) P-C4' energy: -38.981
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -38.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -474.132082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.132082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.132082 (E_RNA)
where:
Base-Base interactions energy: -305.336
where: short stacking energy: -129.617
Base-Backbone interact. energy: 0.346
local terms energy: -169.142157
where:
bonds (distance) C4'-P energy: -38.805
bonds (distance) P-C4' energy: -43.091
flat angles C4'-P-C4' energy: -35.177
flat angles P-C4'-P energy: -26.918
tors. eta vs tors. theta energy: -25.151
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: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -467.307502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.307502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.307502 (E_RNA)
where:
Base-Base interactions energy: -307.860
where: short stacking energy: -126.529
Base-Backbone interact. energy: -0.430
local terms energy: -159.017521
where:
bonds (distance) C4'-P energy: -34.971
bonds (distance) P-C4' energy: -32.728
flat angles C4'-P-C4' energy: -40.519
flat angles P-C4'-P energy: -22.364
tors. eta vs tors. theta energy: -28.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -334.255459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.255459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.255459 (E_RNA)
where:
Base-Base interactions energy: -208.917
where: short stacking energy: -117.606
Base-Backbone interact. energy: -1.874
local terms energy: -123.463912
where:
bonds (distance) C4'-P energy: -24.963
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -36.496
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -13.134
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: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -260.848527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.848527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.848527 (E_RNA)
where:
Base-Base interactions energy: -140.530
where: short stacking energy: -72.695
Base-Backbone interact. energy: -0.461
local terms energy: -119.857728
where:
bonds (distance) C4'-P energy: -35.817
bonds (distance) P-C4' energy: -38.674
flat angles C4'-P-C4' energy: -30.877
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -3.370
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: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -281.174113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.174113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.174113 (E_RNA)
where:
Base-Base interactions energy: -166.475
where: short stacking energy: -90.556
Base-Backbone interact. energy: -0.596
local terms energy: -114.103439
where:
bonds (distance) C4'-P energy: -28.462
bonds (distance) P-C4' energy: -32.147
flat angles C4'-P-C4' energy: -31.367
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -674.306839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.306839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.306839 (E_RNA)
where:
Base-Base interactions energy: -455.323
where: short stacking energy: -199.731
Base-Backbone interact. energy: 0.573
local terms energy: -219.557236
where:
bonds (distance) C4'-P energy: -35.176
bonds (distance) P-C4' energy: -43.646
flat angles C4'-P-C4' energy: -44.886
flat angles P-C4'-P energy: -32.184
tors. eta vs tors. theta energy: -63.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -644.475046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.475046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.475046 (E_RNA)
where:
Base-Base interactions energy: -432.303
where: short stacking energy: -197.906
Base-Backbone interact. energy: -0.392
local terms energy: -211.780172
where:
bonds (distance) C4'-P energy: -39.807
bonds (distance) P-C4' energy: -39.977
flat angles C4'-P-C4' energy: -41.718
flat angles P-C4'-P energy: -27.803
tors. eta vs tors. theta energy: -62.475
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: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -623.600728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.600728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.600728 (E_RNA)
where:
Base-Base interactions energy: -419.394
where: short stacking energy: -180.211
Base-Backbone interact. energy: -0.058
local terms energy: -204.149472
where:
bonds (distance) C4'-P energy: -35.252
bonds (distance) P-C4' energy: -39.369
flat angles C4'-P-C4' energy: -46.157
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -52.805
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: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -505.851459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.851459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.851459 (E_RNA)
where:
Base-Base interactions energy: -330.136
where: short stacking energy: -158.286
Base-Backbone interact. energy: -0.677
local terms energy: -175.038525
where:
bonds (distance) C4'-P energy: -39.668
bonds (distance) P-C4' energy: -26.143
flat angles C4'-P-C4' energy: -40.940
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: -46.578
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: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -487.701773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.701773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.701773 (E_RNA)
where:
Base-Base interactions energy: -323.000
where: short stacking energy: -156.088
Base-Backbone interact. energy: -0.829
local terms energy: -163.873310
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -36.516
flat angles C4'-P-C4' energy: -37.835
flat angles P-C4'-P energy: -23.324
tors. eta vs tors. theta energy: -36.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -477.652325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.652325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.652325 (E_RNA)
where:
Base-Base interactions energy: -312.046
where: short stacking energy: -130.220
Base-Backbone interact. energy: 0.102
local terms energy: -165.707930
where:
bonds (distance) C4'-P energy: -27.388
bonds (distance) P-C4' energy: -39.537
flat angles C4'-P-C4' energy: -40.604
flat angles P-C4'-P energy: -29.841
tors. eta vs tors. theta energy: -28.338
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: 279
Temperature: 1.200000
Total energy: -432.117157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.117157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.117157 (E_RNA)
where:
Base-Base interactions energy: -286.217
where: short stacking energy: -113.431
Base-Backbone interact. energy: -1.625
local terms energy: -144.275265
where:
bonds (distance) C4'-P energy: -34.948
bonds (distance) P-C4' energy: -39.258
flat angles C4'-P-C4' energy: -30.553
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -18.414
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: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -247.653069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.653069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.653069 (E_RNA)
where:
Base-Base interactions energy: -124.275
where: short stacking energy: -73.551
Base-Backbone interact. energy: 0.934
local terms energy: -124.312260
where:
bonds (distance) C4'-P energy: -25.559
bonds (distance) P-C4' energy: -38.185
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -276.753778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.753778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.753778 (E_RNA)
where:
Base-Base interactions energy: -149.055
where: short stacking energy: -90.916
Base-Backbone interact. energy: 0.075
local terms energy: -127.773022
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -36.983
flat angles C4'-P-C4' energy: -28.268
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -18.880
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: 10, replica: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -245.948303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.948303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.948303 (E_RNA)
where:
Base-Base interactions energy: -112.661
where: short stacking energy: -55.756
Base-Backbone interact. energy: -1.431
local terms energy: -131.855762
where:
bonds (distance) C4'-P energy: -41.564
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -29.241
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -0.505
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: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -675.282235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.282235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.282235 (E_RNA)
where:
Base-Base interactions energy: -469.616
where: short stacking energy: -207.742
Base-Backbone interact. energy: -0.740
local terms energy: -204.926834
where:
bonds (distance) C4'-P energy: -33.664
bonds (distance) P-C4' energy: -42.731
flat angles C4'-P-C4' energy: -44.951
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -59.938
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: 2, replica: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -634.030827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.030827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.030827 (E_RNA)
where:
Base-Base interactions energy: -429.398
where: short stacking energy: -200.270
Base-Backbone interact. energy: -0.376
local terms energy: -204.256422
where:
bonds (distance) C4'-P energy: -32.222
bonds (distance) P-C4' energy: -38.628
flat angles C4'-P-C4' energy: -43.916
flat angles P-C4'-P energy: -28.633
tors. eta vs tors. theta energy: -60.857
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: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -607.529702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.529702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.529702 (E_RNA)
where:
Base-Base interactions energy: -407.714
where: short stacking energy: -177.508
Base-Backbone interact. energy: 1.000
local terms energy: -200.815546
where:
bonds (distance) C4'-P energy: -38.914
bonds (distance) P-C4' energy: -42.751
flat angles C4'-P-C4' energy: -41.892
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: -48.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -492.026815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.026815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.026815 (E_RNA)
where:
Base-Base interactions energy: -310.425
where: short stacking energy: -136.718
Base-Backbone interact. energy: -0.916
local terms energy: -180.685825
where:
bonds (distance) C4'-P energy: -35.134
bonds (distance) P-C4' energy: -41.243
flat angles C4'-P-C4' energy: -45.051
flat angles P-C4'-P energy: -26.398
tors. eta vs tors. theta energy: -32.860
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: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -471.467101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.467101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.467101 (E_RNA)
where:
Base-Base interactions energy: -300.151
where: short stacking energy: -134.230
Base-Backbone interact. energy: -0.850
local terms energy: -170.466243
where:
bonds (distance) C4'-P energy: -34.148
bonds (distance) P-C4' energy: -44.330
flat angles C4'-P-C4' energy: -43.190
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -26.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -488.789649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.789649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.789649 (E_RNA)
where:
Base-Base interactions energy: -317.233
where: short stacking energy: -133.424
Base-Backbone interact. energy: -0.259
local terms energy: -171.298515
where:
bonds (distance) C4'-P energy: -38.114
bonds (distance) P-C4' energy: -30.734
flat angles C4'-P-C4' energy: -45.463
flat angles P-C4'-P energy: -22.605
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: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -423.311467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.311467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.311467 (E_RNA)
where:
Base-Base interactions energy: -265.367
where: short stacking energy: -125.141
Base-Backbone interact. energy: 0.681
local terms energy: -158.625421
where:
bonds (distance) C4'-P energy: -38.980
bonds (distance) P-C4' energy: -36.790
flat angles C4'-P-C4' energy: -36.043
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -31.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -274.489356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.489356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.489356 (E_RNA)
where:
Base-Base interactions energy: -151.954
where: short stacking energy: -80.014
Base-Backbone interact. energy: -0.355
local terms energy: -122.180746
where:
bonds (distance) C4'-P energy: -27.058
bonds (distance) P-C4' energy: -32.971
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -18.074
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -309.328734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.328734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.328734 (E_RNA)
where:
Base-Base interactions energy: -170.395
where: short stacking energy: -95.481
Base-Backbone interact. energy: -0.125
local terms energy: -138.808865
where:
bonds (distance) C4'-P energy: -34.713
bonds (distance) P-C4' energy: -37.460
flat angles C4'-P-C4' energy: -37.109
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -11.662
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: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -243.770333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.770333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.770333 (E_RNA)
where:
Base-Base interactions energy: -121.000
where: short stacking energy: -72.969
Base-Backbone interact. energy: -0.071
local terms energy: -122.699123
where:
bonds (distance) C4'-P energy: -31.756
bonds (distance) P-C4' energy: -39.049
flat angles C4'-P-C4' energy: -28.010
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -3.149
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: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -669.076401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.076401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.076401 (E_RNA)
where:
Base-Base interactions energy: -452.507
where: short stacking energy: -208.325
Base-Backbone interact. energy: 0.086
local terms energy: -216.655029
where:
bonds (distance) C4'-P energy: -37.693
bonds (distance) P-C4' energy: -38.568
flat angles C4'-P-C4' energy: -41.967
flat angles P-C4'-P energy: -28.742
tors. eta vs tors. theta energy: -69.684
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: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -650.435082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.435082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.435082 (E_RNA)
where:
Base-Base interactions energy: -437.235
where: short stacking energy: -206.477
Base-Backbone interact. energy: -1.673
local terms energy: -211.526628
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -46.025
flat angles C4'-P-C4' energy: -40.825
flat angles P-C4'-P energy: -30.191
tors. eta vs tors. theta energy: -61.941
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: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -608.072589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.072589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.072589 (E_RNA)
where:
Base-Base interactions energy: -404.396
where: short stacking energy: -176.361
Base-Backbone interact. energy: 0.915
local terms energy: -204.590908
where:
bonds (distance) C4'-P energy: -35.641
bonds (distance) P-C4' energy: -42.340
flat angles C4'-P-C4' energy: -41.638
flat angles P-C4'-P energy: -28.238
tors. eta vs tors. theta energy: -56.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -487.898514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.898514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.898514 (E_RNA)
where:
Base-Base interactions energy: -308.219
where: short stacking energy: -140.188
Base-Backbone interact. energy: -0.825
local terms energy: -178.855179
where:
bonds (distance) C4'-P energy: -39.574
bonds (distance) P-C4' energy: -41.121
flat angles C4'-P-C4' energy: -37.542
flat angles P-C4'-P energy: -28.653
tors. eta vs tors. theta energy: -31.967
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: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -454.995725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.995725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.995725 (E_RNA)
where:
Base-Base interactions energy: -306.592
where: short stacking energy: -135.549
Base-Backbone interact. energy: 0.168
local terms energy: -148.571604
where:
bonds (distance) C4'-P energy: -32.845
bonds (distance) P-C4' energy: -28.460
flat angles C4'-P-C4' energy: -39.034
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: -26.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -496.311649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.311649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.311649 (E_RNA)
where:
Base-Base interactions energy: -329.004
where: short stacking energy: -138.787
Base-Backbone interact. energy: 0.121
local terms energy: -167.428572
where:
bonds (distance) C4'-P energy: -29.666
bonds (distance) P-C4' energy: -36.944
flat angles C4'-P-C4' energy: -41.008
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -37.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -376.081571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.081571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.081571 (E_RNA)
where:
Base-Base interactions energy: -217.955
where: short stacking energy: -100.462
Base-Backbone interact. energy: -0.631
local terms energy: -157.495408
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -37.460
flat angles C4'-P-C4' energy: -35.433
flat angles P-C4'-P energy: -28.586
tors. eta vs tors. theta energy: -22.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -348.773579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.773579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.773579 (E_RNA)
where:
Base-Base interactions energy: -207.741
where: short stacking energy: -107.917
Base-Backbone interact. energy: -0.625
local terms energy: -140.408433
where:
bonds (distance) C4'-P energy: -39.190
bonds (distance) P-C4' energy: -24.269
flat angles C4'-P-C4' energy: -26.190
flat angles P-C4'-P energy: -28.202
tors. eta vs tors. theta energy: -22.557
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: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -275.444780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.444780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.444780 (E_RNA)
where:
Base-Base interactions energy: -155.526
where: short stacking energy: -90.300
Base-Backbone interact. energy: -2.297
local terms energy: -117.622539
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -31.722
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -9.837
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: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -258.582298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.582298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.582298 (E_RNA)
where:
Base-Base interactions energy: -143.218
where: short stacking energy: -64.619
Base-Backbone interact. energy: -0.287
local terms energy: -115.077264
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -39.828
flat angles P-C4'-P energy: -8.550
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: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -657.972208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.972208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.972208 (E_RNA)
where:
Base-Base interactions energy: -441.005
where: short stacking energy: -208.644
Base-Backbone interact. energy: -0.404
local terms energy: -216.563025
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -50.059
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: -61.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -650.378568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.378568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.378568 (E_RNA)
where:
Base-Base interactions energy: -437.587
where: short stacking energy: -206.079
Base-Backbone interact. energy: -0.573
local terms energy: -212.218334
where:
bonds (distance) C4'-P energy: -38.172
bonds (distance) P-C4' energy: -39.956
flat angles C4'-P-C4' energy: -44.021
flat angles P-C4'-P energy: -29.825
tors. eta vs tors. theta energy: -60.244
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: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -605.744719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.744719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.744719 (E_RNA)
where:
Base-Base interactions energy: -408.783
where: short stacking energy: -178.447
Base-Backbone interact. energy: -0.769
local terms energy: -196.192092
where:
bonds (distance) C4'-P energy: -36.787
bonds (distance) P-C4' energy: -41.102
flat angles C4'-P-C4' energy: -38.012
flat angles P-C4'-P energy: -31.439
tors. eta vs tors. theta energy: -48.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -509.940989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.940989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.940989 (E_RNA)
where:
Base-Base interactions energy: -333.152
where: short stacking energy: -163.027
Base-Backbone interact. energy: -0.146
local terms energy: -176.643412
where:
bonds (distance) C4'-P energy: -28.603
bonds (distance) P-C4' energy: -36.318
flat angles C4'-P-C4' energy: -39.107
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -46.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -486.662423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.662423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.662423 (E_RNA)
where:
Base-Base interactions energy: -310.414
where: short stacking energy: -140.307
Base-Backbone interact. energy: 1.143
local terms energy: -177.391407
where:
bonds (distance) C4'-P energy: -39.890
bonds (distance) P-C4' energy: -34.901
flat angles C4'-P-C4' energy: -41.439
flat angles P-C4'-P energy: -22.500
tors. eta vs tors. theta energy: -38.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -487.698353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.698353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.698353 (E_RNA)
where:
Base-Base interactions energy: -302.632
where: short stacking energy: -140.526
Base-Backbone interact. energy: 1.361
local terms energy: -186.427347
where:
bonds (distance) C4'-P energy: -40.777
bonds (distance) P-C4' energy: -41.181
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -24.198
tors. eta vs tors. theta energy: -41.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -370.854803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.854803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.854803 (E_RNA)
where:
Base-Base interactions energy: -232.505
where: short stacking energy: -107.236
Base-Backbone interact. energy: -0.620
local terms energy: -137.729824
where:
bonds (distance) C4'-P energy: -32.496
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -35.628
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -22.053
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: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -317.034811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.034811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.034811 (E_RNA)
where:
Base-Base interactions energy: -167.316
where: short stacking energy: -103.593
Base-Backbone interact. energy: -0.187
local terms energy: -149.531145
where:
bonds (distance) C4'-P energy: -43.477
bonds (distance) P-C4' energy: -32.611
flat angles C4'-P-C4' energy: -33.476
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -274.106935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.106935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.106935 (E_RNA)
where:
Base-Base interactions energy: -143.331
where: short stacking energy: -81.300
Base-Backbone interact. energy: 2.523
local terms energy: -133.298531
where:
bonds (distance) C4'-P energy: -31.930
bonds (distance) P-C4' energy: -40.719
flat angles C4'-P-C4' energy: -28.653
flat angles P-C4'-P energy: -20.439
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -251.549978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.549978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.549978 (E_RNA)
where:
Base-Base interactions energy: -138.057
where: short stacking energy: -81.709
Base-Backbone interact. energy: -0.287
local terms energy: -113.206357
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -30.488
flat angles C4'-P-C4' energy: -28.746
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -12.173
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: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -634.147775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.147775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.147775 (E_RNA)
where:
Base-Base interactions energy: -423.142
where: short stacking energy: -183.243
Base-Backbone interact. energy: -1.041
local terms energy: -209.964777
where:
bonds (distance) C4'-P energy: -44.752
bonds (distance) P-C4' energy: -38.602
flat angles C4'-P-C4' energy: -45.975
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -54.731
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: 283
Temperature: 0.950000
Total energy: -608.116827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.116827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.116827 (E_RNA)
where:
Base-Base interactions energy: -412.429
where: short stacking energy: -179.734
Base-Backbone interact. energy: -0.140
local terms energy: -195.547302
where:
bonds (distance) C4'-P energy: -32.471
bonds (distance) P-C4' energy: -35.690
flat angles C4'-P-C4' energy: -48.707
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -53.904
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: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -642.646345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.646345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.646345 (E_RNA)
where:
Base-Base interactions energy: -436.044
where: short stacking energy: -187.258
Base-Backbone interact. energy: 0.205
local terms energy: -206.806982
where:
bonds (distance) C4'-P energy: -37.507
bonds (distance) P-C4' energy: -45.527
flat angles C4'-P-C4' energy: -45.031
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -55.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -513.820272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.820272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.820272 (E_RNA)
where:
Base-Base interactions energy: -331.895
where: short stacking energy: -154.481
Base-Backbone interact. energy: -0.090
local terms energy: -181.835347
where:
bonds (distance) C4'-P energy: -39.209
bonds (distance) P-C4' energy: -31.711
flat angles C4'-P-C4' energy: -45.304
flat angles P-C4'-P energy: -25.033
tors. eta vs tors. theta energy: -40.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -480.454952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.454952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.454952 (E_RNA)
where:
Base-Base interactions energy: -313.312
where: short stacking energy: -144.564
Base-Backbone interact. energy: -0.455
local terms energy: -166.687337
where:
bonds (distance) C4'-P energy: -38.207
bonds (distance) P-C4' energy: -34.651
flat angles C4'-P-C4' energy: -36.420
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: -30.986
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: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -462.419362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.419362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.419362 (E_RNA)
where:
Base-Base interactions energy: -302.238
where: short stacking energy: -130.120
Base-Backbone interact. energy: 1.867
local terms energy: -162.048056
where:
bonds (distance) C4'-P energy: -29.606
bonds (distance) P-C4' energy: -37.674
flat angles C4'-P-C4' energy: -42.160
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -32.418
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: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -403.563302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.563302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.563302 (E_RNA)
where:
Base-Base interactions energy: -261.150
where: short stacking energy: -127.785
Base-Backbone interact. energy: -0.331
local terms energy: -142.082386
where:
bonds (distance) C4'-P energy: -35.115
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -25.080
tors. eta vs tors. theta energy: -29.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -376.684932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.684932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.684932 (E_RNA)
where:
Base-Base interactions energy: -237.568
where: short stacking energy: -97.019
Base-Backbone interact. energy: -1.967
local terms energy: -137.149938
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -36.774
flat angles C4'-P-C4' energy: -32.176
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -20.220
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: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -302.983665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.983665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.983665 (E_RNA)
where:
Base-Base interactions energy: -166.924
where: short stacking energy: -78.801
Base-Backbone interact. energy: -0.571
local terms energy: -135.487907
where:
bonds (distance) C4'-P energy: -37.528
bonds (distance) P-C4' energy: -29.088
flat angles C4'-P-C4' energy: -32.801
flat angles P-C4'-P energy: -25.758
tors. eta vs tors. theta energy: -10.313
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: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -257.892493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.892493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.892493 (E_RNA)
where:
Base-Base interactions energy: -141.627
where: short stacking energy: -84.906
Base-Backbone interact. energy: -0.079
local terms energy: -116.186396
where:
bonds (distance) C4'-P energy: -30.439
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -13.513
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: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -637.405220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.405220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.405220 (E_RNA)
where:
Base-Base interactions energy: -416.456
where: short stacking energy: -194.362
Base-Backbone interact. energy: -0.302
local terms energy: -220.647028
where:
bonds (distance) C4'-P energy: -40.707
bonds (distance) P-C4' energy: -37.155
flat angles C4'-P-C4' energy: -43.114
flat angles P-C4'-P energy: -33.031
tors. eta vs tors. theta energy: -66.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -621.859294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.859294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.859294 (E_RNA)
where:
Base-Base interactions energy: -423.383
where: short stacking energy: -184.204
Base-Backbone interact. energy: -0.111
local terms energy: -198.364814
where:
bonds (distance) C4'-P energy: -39.589
bonds (distance) P-C4' energy: -38.945
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -26.274
tors. eta vs tors. theta energy: -54.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -640.775665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.775665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.775665 (E_RNA)
where:
Base-Base interactions energy: -435.693
where: short stacking energy: -200.913
Base-Backbone interact. energy: 0.338
local terms energy: -205.420556
where:
bonds (distance) C4'-P energy: -41.107
bonds (distance) P-C4' energy: -32.615
flat angles C4'-P-C4' energy: -44.362
flat angles P-C4'-P energy: -27.911
tors. eta vs tors. theta energy: -59.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -529.509259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.509259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.509259 (E_RNA)
where:
Base-Base interactions energy: -343.822
where: short stacking energy: -152.611
Base-Backbone interact. energy: -0.562
local terms energy: -185.124488
where:
bonds (distance) C4'-P energy: -34.434
bonds (distance) P-C4' energy: -37.349
flat angles C4'-P-C4' energy: -40.108
flat angles P-C4'-P energy: -30.687
tors. eta vs tors. theta energy: -42.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -475.595706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.595706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.595706 (E_RNA)
where:
Base-Base interactions energy: -314.355
where: short stacking energy: -146.855
Base-Backbone interact. energy: -0.166
local terms energy: -161.074788
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -29.238
flat angles C4'-P-C4' energy: -39.409
flat angles P-C4'-P energy: -19.749
tors. eta vs tors. theta energy: -38.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -458.648482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.648482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.648482 (E_RNA)
where:
Base-Base interactions energy: -296.903
where: short stacking energy: -148.291
Base-Backbone interact. energy: -0.533
local terms energy: -161.212858
where:
bonds (distance) C4'-P energy: -35.406
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -36.375
flat angles P-C4'-P energy: -26.294
tors. eta vs tors. theta energy: -30.939
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: 9
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -385.222583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.222583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.222583 (E_RNA)
where:
Base-Base interactions energy: -252.375
where: short stacking energy: -98.723
Base-Backbone interact. energy: 0.888
local terms energy: -133.736498
where:
bonds (distance) C4'-P energy: -34.931
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -15.052
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: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -371.299246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.299246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.299246 (E_RNA)
where:
Base-Base interactions energy: -214.783
where: short stacking energy: -102.165
Base-Backbone interact. energy: -0.599
local terms energy: -155.917514
where:
bonds (distance) C4'-P energy: -36.947
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -35.924
flat angles P-C4'-P energy: -21.269
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: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -269.522087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.522087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.522087 (E_RNA)
where:
Base-Base interactions energy: -155.322
where: short stacking energy: -65.613
Base-Backbone interact. energy: -1.238
local terms energy: -112.962017
where:
bonds (distance) C4'-P energy: -28.681
bonds (distance) P-C4' energy: -34.407
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -22.714
tors. eta vs tors. theta energy: -1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -251.708779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.708779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.708779 (E_RNA)
where:
Base-Base interactions energy: -127.182
where: short stacking energy: -69.420
Base-Backbone interact. energy: 6.249
local terms energy: -130.776103
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -30.096
flat angles C4'-P-C4' energy: -34.007
flat angles P-C4'-P energy: -25.771
tors. eta vs tors. theta energy: -13.747
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: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -651.867910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.867910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.867910 (E_RNA)
where:
Base-Base interactions energy: -432.846
where: short stacking energy: -190.597
Base-Backbone interact. energy: -0.120
local terms energy: -218.902092
where:
bonds (distance) C4'-P energy: -45.196
bonds (distance) P-C4' energy: -43.738
flat angles C4'-P-C4' energy: -37.274
flat angles P-C4'-P energy: -35.037
tors. eta vs tors. theta energy: -57.657
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: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -640.821828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.821828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.821828 (E_RNA)
where:
Base-Base interactions energy: -442.703
where: short stacking energy: -197.129
Base-Backbone interact. energy: -0.222
local terms energy: -197.896633
where:
bonds (distance) C4'-P energy: -34.692
bonds (distance) P-C4' energy: -42.463
flat angles C4'-P-C4' energy: -42.687
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: -52.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -597.396792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.396792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.396792 (E_RNA)
where:
Base-Base interactions energy: -421.375
where: short stacking energy: -173.540
Base-Backbone interact. energy: -0.100
local terms energy: -175.921000
where:
bonds (distance) C4'-P energy: -31.187
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -38.534
flat angles P-C4'-P energy: -31.572
tors. eta vs tors. theta energy: -45.104
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: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -499.845933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.845933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.845933 (E_RNA)
where:
Base-Base interactions energy: -314.880
where: short stacking energy: -146.280
Base-Backbone interact. energy: -0.364
local terms energy: -184.601638
where:
bonds (distance) C4'-P energy: -39.526
bonds (distance) P-C4' energy: -45.079
flat angles C4'-P-C4' energy: -37.467
flat angles P-C4'-P energy: -31.537
tors. eta vs tors. theta energy: -30.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -528.477379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.477379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.477379 (E_RNA)
where:
Base-Base interactions energy: -350.584
where: short stacking energy: -167.150
Base-Backbone interact. energy: -0.131
local terms energy: -177.761947
where:
bonds (distance) C4'-P energy: -30.229
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -41.652
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -46.958
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: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -438.755223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.755223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.755223 (E_RNA)
where:
Base-Base interactions energy: -277.502
where: short stacking energy: -134.067
Base-Backbone interact. energy: -0.994
local terms energy: -160.258928
where:
bonds (distance) C4'-P energy: -36.746
bonds (distance) P-C4' energy: -33.314
flat angles C4'-P-C4' energy: -29.396
flat angles P-C4'-P energy: -25.963
tors. eta vs tors. theta energy: -34.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -374.284857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.284857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.284857 (E_RNA)
where:
Base-Base interactions energy: -222.891
where: short stacking energy: -120.605
Base-Backbone interact. energy: -0.638
local terms energy: -150.756300
where:
bonds (distance) C4'-P energy: -36.946
bonds (distance) P-C4' energy: -36.027
flat angles C4'-P-C4' energy: -36.599
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -24.019
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: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -353.715849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.715849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.715849 (E_RNA)
where:
Base-Base interactions energy: -203.351
where: short stacking energy: -91.251
Base-Backbone interact. energy: -0.331
local terms energy: -150.033900
where:
bonds (distance) C4'-P energy: -31.761
bonds (distance) P-C4' energy: -38.840
flat angles C4'-P-C4' energy: -32.336
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -29.716
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: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -290.004983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.004983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.004983 (E_RNA)
where:
Base-Base interactions energy: -152.283
where: short stacking energy: -84.404
Base-Backbone interact. energy: 0.043
local terms energy: -137.765175
where:
bonds (distance) C4'-P energy: -26.168
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -35.012
flat angles P-C4'-P energy: -23.460
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -250.302549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.302549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.302549 (E_RNA)
where:
Base-Base interactions energy: -128.746
where: short stacking energy: -71.500
Base-Backbone interact. energy: -0.967
local terms energy: -120.589203
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -31.703
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -644.196582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.196582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.196582 (E_RNA)
where:
Base-Base interactions energy: -441.632
where: short stacking energy: -207.522
Base-Backbone interact. energy: -0.401
local terms energy: -202.163279
where:
bonds (distance) C4'-P energy: -39.415
bonds (distance) P-C4' energy: -39.706
flat angles C4'-P-C4' energy: -44.241
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -59.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -651.152262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.152262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.152262 (E_RNA)
where:
Base-Base interactions energy: -442.668
where: short stacking energy: -198.079
Base-Backbone interact. energy: -0.084
local terms energy: -208.399608
where:
bonds (distance) C4'-P energy: -38.496
bonds (distance) P-C4' energy: -36.399
flat angles C4'-P-C4' energy: -37.877
flat angles P-C4'-P energy: -33.947
tors. eta vs tors. theta energy: -61.680
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: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -592.096501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.096501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.096501 (E_RNA)
where:
Base-Base interactions energy: -394.811
where: short stacking energy: -163.409
Base-Backbone interact. energy: 0.446
local terms energy: -197.731417
where:
bonds (distance) C4'-P energy: -42.874
bonds (distance) P-C4' energy: -38.256
flat angles C4'-P-C4' energy: -40.741
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -49.521
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: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -524.343260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.343260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.343260 (E_RNA)
where:
Base-Base interactions energy: -333.732
where: short stacking energy: -163.570
Base-Backbone interact. energy: -0.343
local terms energy: -190.269036
where:
bonds (distance) C4'-P energy: -41.219
bonds (distance) P-C4' energy: -42.361
flat angles C4'-P-C4' energy: -39.318
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -40.147
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: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -560.840417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.840417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.840417 (E_RNA)
where:
Base-Base interactions energy: -382.196
where: short stacking energy: -181.206
Base-Backbone interact. energy: 0.869
local terms energy: -179.512986
where:
bonds (distance) C4'-P energy: -33.470
bonds (distance) P-C4' energy: -35.723
flat angles C4'-P-C4' energy: -35.140
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -51.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -429.012244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.012244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.012244 (E_RNA)
where:
Base-Base interactions energy: -280.879
where: short stacking energy: -127.944
Base-Backbone interact. energy: 0.927
local terms energy: -149.060907
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -35.911
flat angles C4'-P-C4' energy: -37.458
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -28.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -329.851757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.851757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.851757 (E_RNA)
where:
Base-Base interactions energy: -185.493
where: short stacking energy: -107.438
Base-Backbone interact. energy: -0.182
local terms energy: -144.176710
where:
bonds (distance) C4'-P energy: -33.698
bonds (distance) P-C4' energy: -40.784
flat angles C4'-P-C4' energy: -34.619
flat angles P-C4'-P energy: -21.836
tors. eta vs tors. theta energy: -13.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -333.812080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.812080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.812080 (E_RNA)
where:
Base-Base interactions energy: -203.159
where: short stacking energy: -92.624
Base-Backbone interact. energy: -0.419
local terms energy: -130.233131
where:
bonds (distance) C4'-P energy: -34.902
bonds (distance) P-C4' energy: -28.709
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -264.404967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.404967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.404967 (E_RNA)
where:
Base-Base interactions energy: -144.322
where: short stacking energy: -81.715
Base-Backbone interact. energy: 1.806
local terms energy: -121.888956
where:
bonds (distance) C4'-P energy: -31.546
bonds (distance) P-C4' energy: -35.548
flat angles C4'-P-C4' energy: -30.266
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -254.250776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.250776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.250776 (E_RNA)
where:
Base-Base interactions energy: -125.202
where: short stacking energy: -70.112
Base-Backbone interact. energy: -0.810
local terms energy: -128.238260
where:
bonds (distance) C4'-P energy: -26.532
bonds (distance) P-C4' energy: -32.961
flat angles C4'-P-C4' energy: -36.130
flat angles P-C4'-P energy: -28.535
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -650.897946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.897946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.897946 (E_RNA)
where:
Base-Base interactions energy: -438.695
where: short stacking energy: -199.586
Base-Backbone interact. energy: -1.169
local terms energy: -211.033633
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -38.677
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -61.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -649.997007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.997007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.997007 (E_RNA)
where:
Base-Base interactions energy: -447.047
where: short stacking energy: -200.149
Base-Backbone interact. energy: -0.069
local terms energy: -202.881622
where:
bonds (distance) C4'-P energy: -30.735
bonds (distance) P-C4' energy: -37.940
flat angles C4'-P-C4' energy: -42.888
flat angles P-C4'-P energy: -30.378
tors. eta vs tors. theta energy: -60.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -599.697838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.697838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.697838 (E_RNA)
where:
Base-Base interactions energy: -394.086
where: short stacking energy: -190.186
Base-Backbone interact. energy: -0.741
local terms energy: -204.870485
where:
bonds (distance) C4'-P energy: -37.304
bonds (distance) P-C4' energy: -38.292
flat angles C4'-P-C4' energy: -43.126
flat angles P-C4'-P energy: -29.257
tors. eta vs tors. theta energy: -56.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -533.166005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.166005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.166005 (E_RNA)
where:
Base-Base interactions energy: -352.246
where: short stacking energy: -157.117
Base-Backbone interact. energy: 3.001
local terms energy: -183.920848
where:
bonds (distance) C4'-P energy: -39.361
bonds (distance) P-C4' energy: -34.062
flat angles C4'-P-C4' energy: -39.377
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -44.893
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: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -522.724929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.724929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.724929 (E_RNA)
where:
Base-Base interactions energy: -341.616
where: short stacking energy: -155.949
Base-Backbone interact. energy: 1.296
local terms energy: -182.405427
where:
bonds (distance) C4'-P energy: -41.100
bonds (distance) P-C4' energy: -37.901
flat angles C4'-P-C4' energy: -34.949
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -45.882
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: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -429.518055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.518055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.518055 (E_RNA)
where:
Base-Base interactions energy: -280.537
where: short stacking energy: -132.067
Base-Backbone interact. energy: -0.770
local terms energy: -148.211057
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -29.563
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -24.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -328.641422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.641422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.641422 (E_RNA)
where:
Base-Base interactions energy: -183.266
where: short stacking energy: -106.589
Base-Backbone interact. energy: -0.547
local terms energy: -144.828339
where:
bonds (distance) C4'-P energy: -33.266
bonds (distance) P-C4' energy: -39.900
flat angles C4'-P-C4' energy: -30.066
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -276.167699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.167699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.167699 (E_RNA)
where:
Base-Base interactions energy: -159.914
where: short stacking energy: -92.275
Base-Backbone interact. energy: -0.477
local terms energy: -115.777036
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -30.964
flat angles C4'-P-C4' energy: -33.959
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -333.768080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.768080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.768080 (E_RNA)
where:
Base-Base interactions energy: -196.017
where: short stacking energy: -84.573
Base-Backbone interact. energy: -1.065
local terms energy: -136.685913
where:
bonds (distance) C4'-P energy: -37.845
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -34.626
flat angles P-C4'-P energy: -23.094
tors. eta vs tors. theta energy: -10.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -244.359918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.359918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.359918 (E_RNA)
where:
Base-Base interactions energy: -119.101
where: short stacking energy: -60.813
Base-Backbone interact. energy: -0.668
local terms energy: -124.590896
where:
bonds (distance) C4'-P energy: -43.498
bonds (distance) P-C4' energy: -36.519
flat angles C4'-P-C4' energy: -31.743
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -2.603
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: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -675.596097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.596097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.596097 (E_RNA)
where:
Base-Base interactions energy: -457.406
where: short stacking energy: -208.006
Base-Backbone interact. energy: -0.455
local terms energy: -217.735413
where:
bonds (distance) C4'-P energy: -35.788
bonds (distance) P-C4' energy: -40.995
flat angles C4'-P-C4' energy: -42.641
flat angles P-C4'-P energy: -31.123
tors. eta vs tors. theta energy: -67.188
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: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -633.692653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.692653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.692653 (E_RNA)
where:
Base-Base interactions energy: -421.473
where: short stacking energy: -192.965
Base-Backbone interact. energy: -0.237
local terms energy: -211.983470
where:
bonds (distance) C4'-P energy: -38.206
bonds (distance) P-C4' energy: -40.805
flat angles C4'-P-C4' energy: -42.200
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: -64.459
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: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -594.735684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.735684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.735684 (E_RNA)
where:
Base-Base interactions energy: -410.569
where: short stacking energy: -175.853
Base-Backbone interact. energy: -0.869
local terms energy: -183.297988
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -38.363
flat angles C4'-P-C4' energy: -38.027
flat angles P-C4'-P energy: -28.928
tors. eta vs tors. theta energy: -53.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -554.869393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.869393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.869393 (E_RNA)
where:
Base-Base interactions energy: -379.746
where: short stacking energy: -180.118
Base-Backbone interact. energy: 0.911
local terms energy: -176.034420
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -34.384
flat angles C4'-P-C4' energy: -41.001
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -43.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -502.618280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.618280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.618280 (E_RNA)
where:
Base-Base interactions energy: -323.606
where: short stacking energy: -148.184
Base-Backbone interact. energy: -0.401
local terms energy: -178.611934
where:
bonds (distance) C4'-P energy: -35.245
bonds (distance) P-C4' energy: -33.341
flat angles C4'-P-C4' energy: -41.996
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -42.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -448.704185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.704185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.704185 (E_RNA)
where:
Base-Base interactions energy: -290.084
where: short stacking energy: -142.683
Base-Backbone interact. energy: 2.678
local terms energy: -161.298634
where:
bonds (distance) C4'-P energy: -35.793
bonds (distance) P-C4' energy: -32.524
flat angles C4'-P-C4' energy: -36.874
flat angles P-C4'-P energy: -23.612
tors. eta vs tors. theta energy: -32.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -343.029171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.029171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.029171 (E_RNA)
where:
Base-Base interactions energy: -189.566
where: short stacking energy: -88.070
Base-Backbone interact. energy: -0.430
local terms energy: -153.033294
where:
bonds (distance) C4'-P energy: -26.866
bonds (distance) P-C4' energy: -42.499
flat angles C4'-P-C4' energy: -37.366
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -276.091442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.091442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.091442 (E_RNA)
where:
Base-Base interactions energy: -142.766
where: short stacking energy: -84.687
Base-Backbone interact. energy: -0.146
local terms energy: -133.180268
where:
bonds (distance) C4'-P energy: -31.815
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -32.468
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -318.628988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.628988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.628988 (E_RNA)
where:
Base-Base interactions energy: -191.628
where: short stacking energy: -94.011
Base-Backbone interact. energy: 0.302
local terms energy: -127.302991
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -38.664
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -21.174
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -243.514381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.514381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.514381 (E_RNA)
where:
Base-Base interactions energy: -134.125
where: short stacking energy: -75.334
Base-Backbone interact. energy: -1.014
local terms energy: -108.374552
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -29.908
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -667.206451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.206451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.206451 (E_RNA)
where:
Base-Base interactions energy: -453.975
where: short stacking energy: -200.771
Base-Backbone interact. energy: -0.034
local terms energy: -213.197143
where:
bonds (distance) C4'-P energy: -35.926
bonds (distance) P-C4' energy: -38.173
flat angles C4'-P-C4' energy: -45.646
flat angles P-C4'-P energy: -30.349
tors. eta vs tors. theta energy: -63.103
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: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -603.335455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.335455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.335455 (E_RNA)
where:
Base-Base interactions energy: -402.189
where: short stacking energy: -185.835
Base-Backbone interact. energy: -0.898
local terms energy: -200.248125
where:
bonds (distance) C4'-P energy: -35.175
bonds (distance) P-C4' energy: -41.901
flat angles C4'-P-C4' energy: -41.217
flat angles P-C4'-P energy: -27.641
tors. eta vs tors. theta energy: -54.314
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: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -621.221291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.221291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.221291 (E_RNA)
where:
Base-Base interactions energy: -415.816
where: short stacking energy: -196.768
Base-Backbone interact. energy: 1.352
local terms energy: -206.756563
where:
bonds (distance) C4'-P energy: -34.339
bonds (distance) P-C4' energy: -38.934
flat angles C4'-P-C4' energy: -40.041
flat angles P-C4'-P energy: -29.864
tors. eta vs tors. theta energy: -63.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -536.003363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.003363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.003363 (E_RNA)
where:
Base-Base interactions energy: -363.064
where: short stacking energy: -168.846
Base-Backbone interact. energy: 0.296
local terms energy: -173.234516
where:
bonds (distance) C4'-P energy: -33.809
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -38.689
flat angles P-C4'-P energy: -26.532
tors. eta vs tors. theta energy: -40.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -517.694303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.694303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.694303 (E_RNA)
where:
Base-Base interactions energy: -344.132
where: short stacking energy: -150.529
Base-Backbone interact. energy: 1.281
local terms energy: -174.843041
where:
bonds (distance) C4'-P energy: -40.178
bonds (distance) P-C4' energy: -39.953
flat angles C4'-P-C4' energy: -31.288
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -40.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -463.124993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.124993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.124993 (E_RNA)
where:
Base-Base interactions energy: -293.296
where: short stacking energy: -135.954
Base-Backbone interact. energy: -0.403
local terms energy: -169.426002
where:
bonds (distance) C4'-P energy: -34.823
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -36.133
flat angles P-C4'-P energy: -26.910
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: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -322.273918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.273918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.273918 (E_RNA)
where:
Base-Base interactions energy: -174.744
where: short stacking energy: -106.191
Base-Backbone interact. energy: -0.405
local terms energy: -147.124349
where:
bonds (distance) C4'-P energy: -37.708
bonds (distance) P-C4' energy: -29.794
flat angles C4'-P-C4' energy: -29.237
flat angles P-C4'-P energy: -24.313
tors. eta vs tors. theta energy: -26.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -333.351871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.351871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.351871 (E_RNA)
where:
Base-Base interactions energy: -190.153
where: short stacking energy: -91.286
Base-Backbone interact. energy: 0.740
local terms energy: -143.939683
where:
bonds (distance) C4'-P energy: -36.311
bonds (distance) P-C4' energy: -38.255
flat angles C4'-P-C4' energy: -31.287
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -260.748346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.748346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.748346 (E_RNA)
where:
Base-Base interactions energy: -138.394
where: short stacking energy: -67.515
Base-Backbone interact. energy: -0.919
local terms energy: -121.435356
where:
bonds (distance) C4'-P energy: -30.040
bonds (distance) P-C4' energy: -40.621
flat angles C4'-P-C4' energy: -29.161
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -8.440
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: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -262.327897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.327897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.327897 (E_RNA)
where:
Base-Base interactions energy: -141.835
where: short stacking energy: -74.671
Base-Backbone interact. energy: 0.394
local terms energy: -120.887763
where:
bonds (distance) C4'-P energy: -29.959
bonds (distance) P-C4' energy: -38.804
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -664.695258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.695258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.695258 (E_RNA)
where:
Base-Base interactions energy: -453.385
where: short stacking energy: -189.816
Base-Backbone interact. energy: -1.313
local terms energy: -209.996880
where:
bonds (distance) C4'-P energy: -36.664
bonds (distance) P-C4' energy: -44.091
flat angles C4'-P-C4' energy: -44.210
flat angles P-C4'-P energy: -25.192
tors. eta vs tors. theta energy: -59.840
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: 290
Temperature: 0.950000
Total energy: -626.726291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.726291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.726291 (E_RNA)
where:
Base-Base interactions energy: -427.133
where: short stacking energy: -189.934
Base-Backbone interact. energy: -0.152
local terms energy: -199.440895
where:
bonds (distance) C4'-P energy: -38.183
bonds (distance) P-C4' energy: -37.694
flat angles C4'-P-C4' energy: -40.182
flat angles P-C4'-P energy: -32.718
tors. eta vs tors. theta energy: -50.663
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: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -615.832803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.832803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.832803 (E_RNA)
where:
Base-Base interactions energy: -397.331
where: short stacking energy: -187.972
Base-Backbone interact. energy: -0.127
local terms energy: -218.373964
where:
bonds (distance) C4'-P energy: -41.541
bonds (distance) P-C4' energy: -39.740
flat angles C4'-P-C4' energy: -41.439
flat angles P-C4'-P energy: -32.764
tors. eta vs tors. theta energy: -62.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -502.504094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.504094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.504094 (E_RNA)
where:
Base-Base interactions energy: -320.008
where: short stacking energy: -147.321
Base-Backbone interact. energy: -1.902
local terms energy: -180.593550
where:
bonds (distance) C4'-P energy: -34.117
bonds (distance) P-C4' energy: -43.741
flat angles C4'-P-C4' energy: -39.859
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -41.815
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: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -524.545790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.545790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.545790 (E_RNA)
where:
Base-Base interactions energy: -350.630
where: short stacking energy: -161.913
Base-Backbone interact. energy: 1.159
local terms energy: -175.075613
where:
bonds (distance) C4'-P energy: -29.959
bonds (distance) P-C4' energy: -37.291
flat angles C4'-P-C4' energy: -37.954
flat angles P-C4'-P energy: -31.401
tors. eta vs tors. theta energy: -38.471
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: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -460.184838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.184838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.184838 (E_RNA)
where:
Base-Base interactions energy: -303.571
where: short stacking energy: -144.425
Base-Backbone interact. energy: 0.325
local terms energy: -156.939265
where:
bonds (distance) C4'-P energy: -29.895
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -38.375
flat angles P-C4'-P energy: -24.109
tors. eta vs tors. theta energy: -36.950
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: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -358.397469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.397469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.397469 (E_RNA)
where:
Base-Base interactions energy: -231.925
where: short stacking energy: -111.898
Base-Backbone interact. energy: -0.870
local terms energy: -125.602943
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -35.624
flat angles C4'-P-C4' energy: -39.464
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -19.800
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: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -314.680358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.680358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.680358 (E_RNA)
where:
Base-Base interactions energy: -186.997
where: short stacking energy: -96.702
Base-Backbone interact. energy: 2.091
local terms energy: -129.774943
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -38.900
flat angles C4'-P-C4' energy: -30.900
flat angles P-C4'-P energy: -23.464
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: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -258.458268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.458268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.458268 (E_RNA)
where:
Base-Base interactions energy: -146.907
where: short stacking energy: -87.819
Base-Backbone interact. energy: -0.470
local terms energy: -111.081098
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -33.481
flat angles C4'-P-C4' energy: -31.119
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -255.651953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.651953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.651953 (E_RNA)
where:
Base-Base interactions energy: -125.284
where: short stacking energy: -65.377
Base-Backbone interact. energy: -0.420
local terms energy: -129.947937
where:
bonds (distance) C4'-P energy: -29.384
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -29.766
flat angles P-C4'-P energy: -29.610
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -678.017130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.017130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.017130 (E_RNA)
where:
Base-Base interactions energy: -459.232
where: short stacking energy: -198.773
Base-Backbone interact. energy: -1.061
local terms energy: -217.724189
where:
bonds (distance) C4'-P energy: -39.498
bonds (distance) P-C4' energy: -39.614
flat angles C4'-P-C4' energy: -41.952
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -59.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -614.290012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.290012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.290012 (E_RNA)
where:
Base-Base interactions energy: -414.352
where: short stacking energy: -175.445
Base-Backbone interact. energy: -0.173
local terms energy: -199.765380
where:
bonds (distance) C4'-P energy: -40.138
bonds (distance) P-C4' energy: -40.175
flat angles C4'-P-C4' energy: -38.706
flat angles P-C4'-P energy: -30.337
tors. eta vs tors. theta energy: -50.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -628.893903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.893903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.893903 (E_RNA)
where:
Base-Base interactions energy: -406.706
where: short stacking energy: -188.125
Base-Backbone interact. energy: -0.062
local terms energy: -222.126607
where:
bonds (distance) C4'-P energy: -42.519
bonds (distance) P-C4' energy: -44.968
flat angles C4'-P-C4' energy: -42.057
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -61.016
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: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -534.405919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.405919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.405919 (E_RNA)
where:
Base-Base interactions energy: -350.842
where: short stacking energy: -164.945
Base-Backbone interact. energy: 1.305
local terms energy: -184.869322
where:
bonds (distance) C4'-P energy: -39.224
bonds (distance) P-C4' energy: -41.356
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -46.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -491.834142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.834142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.834142 (E_RNA)
where:
Base-Base interactions energy: -323.126
where: short stacking energy: -144.993
Base-Backbone interact. energy: -0.466
local terms energy: -168.241707
where:
bonds (distance) C4'-P energy: -38.176
bonds (distance) P-C4' energy: -40.743
flat angles C4'-P-C4' energy: -34.096
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -34.740
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: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -379.608704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.608704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.608704 (E_RNA)
where:
Base-Base interactions energy: -225.912
where: short stacking energy: -111.801
Base-Backbone interact. energy: 1.959
local terms energy: -155.656047
where:
bonds (distance) C4'-P energy: -35.441
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -38.597
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -18.968
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: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -453.224128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.224128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.224128 (E_RNA)
where:
Base-Base interactions energy: -297.044
where: short stacking energy: -139.919
Base-Backbone interact. energy: 0.011
local terms energy: -156.190837
where:
bonds (distance) C4'-P energy: -33.854
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -38.833
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -37.596
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: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -323.050518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.050518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.050518 (E_RNA)
where:
Base-Base interactions energy: -179.657
where: short stacking energy: -97.611
Base-Backbone interact. energy: 0.684
local terms energy: -144.077845
where:
bonds (distance) C4'-P energy: -37.510
bonds (distance) P-C4' energy: -41.398
flat angles C4'-P-C4' energy: -32.607
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -277.502846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.502846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.502846 (E_RNA)
where:
Base-Base interactions energy: -135.411
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.389
local terms energy: -141.702387
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -29.906
flat angles C4'-P-C4' energy: -33.157
flat angles P-C4'-P energy: -29.847
tors. eta vs tors. theta energy: -19.096
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: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -244.915229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.915229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.915229 (E_RNA)
where:
Base-Base interactions energy: -127.030
where: short stacking energy: -69.763
Base-Backbone interact. energy: -0.759
local terms energy: -117.126471
where:
bonds (distance) C4'-P energy: -28.095
bonds (distance) P-C4' energy: -35.548
flat angles C4'-P-C4' energy: -31.984
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -4.115
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: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -684.078616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.078616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.078616 (E_RNA)
where:
Base-Base interactions energy: -475.357
where: short stacking energy: -198.482
Base-Backbone interact. energy: -0.169
local terms energy: -208.553255
where:
bonds (distance) C4'-P energy: -35.211
bonds (distance) P-C4' energy: -44.724
flat angles C4'-P-C4' energy: -42.691
flat angles P-C4'-P energy: -30.155
tors. eta vs tors. theta energy: -55.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -605.282558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.282558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.282558 (E_RNA)
where:
Base-Base interactions energy: -424.131
where: short stacking energy: -175.861
Base-Backbone interact. energy: -0.335
local terms energy: -180.816423
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -33.698
flat angles C4'-P-C4' energy: -39.718
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: -54.085
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: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -618.632115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.632115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.632115 (E_RNA)
where:
Base-Base interactions energy: -412.950
where: short stacking energy: -183.542
Base-Backbone interact. energy: -0.026
local terms energy: -205.656358
where:
bonds (distance) C4'-P energy: -36.457
bonds (distance) P-C4' energy: -42.561
flat angles C4'-P-C4' energy: -38.783
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -61.700
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: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -531.067186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.067186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.067186 (E_RNA)
where:
Base-Base interactions energy: -351.948
where: short stacking energy: -162.707
Base-Backbone interact. energy: -0.056
local terms energy: -179.063023
where:
bonds (distance) C4'-P energy: -33.474
bonds (distance) P-C4' energy: -42.169
flat angles C4'-P-C4' energy: -35.839
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -43.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -524.743369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.743369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.743369 (E_RNA)
where:
Base-Base interactions energy: -336.779
where: short stacking energy: -155.414
Base-Backbone interact. energy: -0.485
local terms energy: -187.479695
where:
bonds (distance) C4'-P energy: -37.950
bonds (distance) P-C4' energy: -41.656
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -28.989
tors. eta vs tors. theta energy: -46.717
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: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -376.298600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.298600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.298600 (E_RNA)
where:
Base-Base interactions energy: -230.357
where: short stacking energy: -116.497
Base-Backbone interact. energy: -1.143
local terms energy: -144.798011
where:
bonds (distance) C4'-P energy: -40.613
bonds (distance) P-C4' energy: -30.635
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: -23.898
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: 292
Temperature: 1.200000
Total energy: -456.018630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.018630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.018630 (E_RNA)
where:
Base-Base interactions energy: -288.778
where: short stacking energy: -136.975
Base-Backbone interact. energy: -0.605
local terms energy: -166.635848
where:
bonds (distance) C4'-P energy: -37.462
bonds (distance) P-C4' energy: -36.347
flat angles C4'-P-C4' energy: -28.644
flat angles P-C4'-P energy: -26.093
tors. eta vs tors. theta energy: -38.089
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: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -302.136291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.136291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.136291 (E_RNA)
where:
Base-Base interactions energy: -173.999
where: short stacking energy: -98.699
Base-Backbone interact. energy: 1.375
local terms energy: -129.512235
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -33.622
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -28.281
tors. eta vs tors. theta energy: -19.850
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: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -254.541204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.541204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.541204 (E_RNA)
where:
Base-Base interactions energy: -126.989
where: short stacking energy: -72.528
Base-Backbone interact. energy: -0.033
local terms energy: -127.518898
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -36.661
flat angles C4'-P-C4' energy: -33.808
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -246.853461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.853461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.853461 (E_RNA)
where:
Base-Base interactions energy: -122.303
where: short stacking energy: -67.978
Base-Backbone interact. energy: -0.046
local terms energy: -124.504199
where:
bonds (distance) C4'-P energy: -32.379
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -29.023
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -679.850634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.850634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.850634 (E_RNA)
where:
Base-Base interactions energy: -470.619
where: short stacking energy: -208.059
Base-Backbone interact. energy: -0.473
local terms energy: -208.758830
where:
bonds (distance) C4'-P energy: -34.802
bonds (distance) P-C4' energy: -38.998
flat angles C4'-P-C4' energy: -39.240
flat angles P-C4'-P energy: -31.822
tors. eta vs tors. theta energy: -63.896
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: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -641.989835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.989835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.989835 (E_RNA)
where:
Base-Base interactions energy: -431.445
where: short stacking energy: -201.502
Base-Backbone interact. energy: -0.543
local terms energy: -210.002057
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -38.340
flat angles C4'-P-C4' energy: -43.210
flat angles P-C4'-P energy: -26.901
tors. eta vs tors. theta energy: -62.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -589.050266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.050266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.050266 (E_RNA)
where:
Base-Base interactions energy: -403.447
where: short stacking energy: -171.245
Base-Backbone interact. energy: 0.435
local terms energy: -186.037925
where:
bonds (distance) C4'-P energy: -38.969
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -41.923
flat angles P-C4'-P energy: -19.170
tors. eta vs tors. theta energy: -51.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -534.448261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.448261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.448261 (E_RNA)
where:
Base-Base interactions energy: -349.396
where: short stacking energy: -158.677
Base-Backbone interact. energy: -0.780
local terms energy: -184.272159
where:
bonds (distance) C4'-P energy: -31.040
bonds (distance) P-C4' energy: -38.788
flat angles C4'-P-C4' energy: -41.167
flat angles P-C4'-P energy: -29.629
tors. eta vs tors. theta energy: -43.648
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: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -466.764451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.764451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.764451 (E_RNA)
where:
Base-Base interactions energy: -299.402
where: short stacking energy: -127.339
Base-Backbone interact. energy: 0.106
local terms energy: -167.468212
where:
bonds (distance) C4'-P energy: -35.587
bonds (distance) P-C4' energy: -38.376
flat angles C4'-P-C4' energy: -37.029
flat angles P-C4'-P energy: -34.403
tors. eta vs tors. theta energy: -22.073
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: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -414.083878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.083878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.083878 (E_RNA)
where:
Base-Base interactions energy: -263.248
where: short stacking energy: -130.271
Base-Backbone interact. energy: -0.239
local terms energy: -150.596991
where:
bonds (distance) C4'-P energy: -33.599
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -34.740
flat angles P-C4'-P energy: -27.703
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: 7, replica: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -374.567450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.567450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.567450 (E_RNA)
where:
Base-Base interactions energy: -232.248
where: short stacking energy: -110.161
Base-Backbone interact. energy: 2.567
local terms energy: -144.886340
where:
bonds (distance) C4'-P energy: -30.117
bonds (distance) P-C4' energy: -38.984
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -26.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -327.267629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.267629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.267629 (E_RNA)
where:
Base-Base interactions energy: -201.552
where: short stacking energy: -85.038
Base-Backbone interact. energy: -0.702
local terms energy: -125.013484
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -40.529
flat angles C4'-P-C4' energy: -25.165
flat angles P-C4'-P energy: -20.353
tors. eta vs tors. theta energy: -9.686
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: 9, replica: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -263.355888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.355888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.355888 (E_RNA)
where:
Base-Base interactions energy: -134.318
where: short stacking energy: -73.424
Base-Backbone interact. energy: -0.482
local terms energy: -128.556098
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -39.359
flat angles C4'-P-C4' energy: -31.534
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -251.292310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.292310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.292310 (E_RNA)
where:
Base-Base interactions energy: -127.253
where: short stacking energy: -62.868
Base-Backbone interact. energy: -1.312
local terms energy: -122.727457
where:
bonds (distance) C4'-P energy: -36.883
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -23.486
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -7.820
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: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -654.979610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.979610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.979610 (E_RNA)
where:
Base-Base interactions energy: -436.632
where: short stacking energy: -184.961
Base-Backbone interact. energy: 0.353
local terms energy: -218.700710
where:
bonds (distance) C4'-P energy: -40.727
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -48.284
flat angles P-C4'-P energy: -31.704
tors. eta vs tors. theta energy: -54.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -632.000859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.000859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.000859 (E_RNA)
where:
Base-Base interactions energy: -419.418
where: short stacking energy: -192.264
Base-Backbone interact. energy: -0.318
local terms energy: -212.264757
where:
bonds (distance) C4'-P energy: -43.232
bonds (distance) P-C4' energy: -35.455
flat angles C4'-P-C4' energy: -43.164
flat angles P-C4'-P energy: -31.623
tors. eta vs tors. theta energy: -58.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -559.545729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.545729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.545729 (E_RNA)
where:
Base-Base interactions energy: -353.964
where: short stacking energy: -161.263
Base-Backbone interact. energy: 0.711
local terms energy: -206.292848
where:
bonds (distance) C4'-P energy: -40.518
bonds (distance) P-C4' energy: -41.875
flat angles C4'-P-C4' energy: -44.507
flat angles P-C4'-P energy: -29.467
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: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -576.459120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.459120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.459120 (E_RNA)
where:
Base-Base interactions energy: -377.966
where: short stacking energy: -174.852
Base-Backbone interact. energy: -1.700
local terms energy: -196.792793
where:
bonds (distance) C4'-P energy: -43.336
bonds (distance) P-C4' energy: -44.309
flat angles C4'-P-C4' energy: -36.415
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -52.448
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: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -497.710179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.710179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.710179 (E_RNA)
where:
Base-Base interactions energy: -335.626
where: short stacking energy: -135.129
Base-Backbone interact. energy: -0.740
local terms energy: -161.343970
where:
bonds (distance) C4'-P energy: -26.918
bonds (distance) P-C4' energy: -37.044
flat angles C4'-P-C4' energy: -34.290
flat angles P-C4'-P energy: -29.516
tors. eta vs tors. theta energy: -33.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -461.065587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.065587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.065587 (E_RNA)
where:
Base-Base interactions energy: -293.404
where: short stacking energy: -143.336
Base-Backbone interact. energy: -0.909
local terms energy: -166.752322
where:
bonds (distance) C4'-P energy: -37.657
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -36.272
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: -33.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -388.345443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.345443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.345443 (E_RNA)
where:
Base-Base interactions energy: -252.266
where: short stacking energy: -114.389
Base-Backbone interact. energy: -0.150
local terms energy: -135.929483
where:
bonds (distance) C4'-P energy: -29.970
bonds (distance) P-C4' energy: -38.272
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -14.449
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: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -339.009911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.009911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.009911 (E_RNA)
where:
Base-Base interactions energy: -185.549
where: short stacking energy: -86.041
Base-Backbone interact. energy: -0.490
local terms energy: -152.970943
where:
bonds (distance) C4'-P energy: -41.109
bonds (distance) P-C4' energy: -44.112
flat angles C4'-P-C4' energy: -33.313
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -270.031505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.031505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.031505 (E_RNA)
where:
Base-Base interactions energy: -140.575
where: short stacking energy: -83.507
Base-Backbone interact. energy: -0.260
local terms energy: -129.196028
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -35.324
flat angles C4'-P-C4' energy: -34.472
flat angles P-C4'-P energy: -25.911
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -259.292935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.292935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.292935 (E_RNA)
where:
Base-Base interactions energy: -138.731
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.340
local terms energy: -120.221537
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -37.771
flat angles C4'-P-C4' energy: -36.803
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -664.427647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.427647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.427647 (E_RNA)
where:
Base-Base interactions energy: -456.954
where: short stacking energy: -189.807
Base-Backbone interact. energy: -0.346
local terms energy: -207.127426
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -41.595
flat angles C4'-P-C4' energy: -43.149
flat angles P-C4'-P energy: -28.825
tors. eta vs tors. theta energy: -58.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -571.450671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.450671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.450671 (E_RNA)
where:
Base-Base interactions energy: -375.799
where: short stacking energy: -174.374
Base-Backbone interact. energy: -0.119
local terms energy: -195.533412
where:
bonds (distance) C4'-P energy: -48.205
bonds (distance) P-C4' energy: -38.903
flat angles C4'-P-C4' energy: -43.913
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -42.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -610.943612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.943612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.943612 (E_RNA)
where:
Base-Base interactions energy: -395.599
where: short stacking energy: -175.661
Base-Backbone interact. energy: -0.242
local terms energy: -215.102921
where:
bonds (distance) C4'-P energy: -43.708
bonds (distance) P-C4' energy: -40.740
flat angles C4'-P-C4' energy: -43.633
flat angles P-C4'-P energy: -31.186
tors. eta vs tors. theta energy: -55.835
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: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -571.110199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.110199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.110199 (E_RNA)
where:
Base-Base interactions energy: -394.489
where: short stacking energy: -152.182
Base-Backbone interact. energy: -0.853
local terms energy: -175.768896
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -36.546
flat angles C4'-P-C4' energy: -38.077
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -34.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -521.396759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.396759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.396759 (E_RNA)
where:
Base-Base interactions energy: -349.737
where: short stacking energy: -156.626
Base-Backbone interact. energy: -0.307
local terms energy: -171.353500
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -38.299
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -38.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -420.438816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.438816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.438816 (E_RNA)
where:
Base-Base interactions energy: -268.889
where: short stacking energy: -125.094
Base-Backbone interact. energy: -0.261
local terms energy: -151.288815
where:
bonds (distance) C4'-P energy: -31.685
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -39.094
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -23.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -399.484568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.484568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.484568 (E_RNA)
where:
Base-Base interactions energy: -234.814
where: short stacking energy: -103.411
Base-Backbone interact. energy: -1.376
local terms energy: -163.294074
where:
bonds (distance) C4'-P energy: -35.152
bonds (distance) P-C4' energy: -40.791
flat angles C4'-P-C4' energy: -40.663
flat angles P-C4'-P energy: -25.039
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -344.658811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.658811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.658811 (E_RNA)
where:
Base-Base interactions energy: -214.958
where: short stacking energy: -93.041
Base-Backbone interact. energy: -0.182
local terms energy: -129.519069
where:
bonds (distance) C4'-P energy: -34.597
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -29.590
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -11.035
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: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -261.425510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.425510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.425510 (E_RNA)
where:
Base-Base interactions energy: -144.768
where: short stacking energy: -83.595
Base-Backbone interact. energy: -0.288
local terms energy: -116.369214
where:
bonds (distance) C4'-P energy: -35.826
bonds (distance) P-C4' energy: -37.761
flat angles C4'-P-C4' energy: -32.341
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -1.974
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: 2
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -259.077522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.077522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.077522 (E_RNA)
where:
Base-Base interactions energy: -131.813
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.713
local terms energy: -126.551765
where:
bonds (distance) C4'-P energy: -34.662
bonds (distance) P-C4' energy: -40.563
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -9.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -666.105613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.105613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.105613 (E_RNA)
where:
Base-Base interactions energy: -449.685
where: short stacking energy: -193.605
Base-Backbone interact. energy: -0.947
local terms energy: -215.473175
where:
bonds (distance) C4'-P energy: -35.053
bonds (distance) P-C4' energy: -40.160
flat angles C4'-P-C4' energy: -45.830
flat angles P-C4'-P energy: -31.602
tors. eta vs tors. theta energy: -62.829
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: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -559.161707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.161707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.161707 (E_RNA)
where:
Base-Base interactions energy: -375.629
where: short stacking energy: -172.463
Base-Backbone interact. energy: -0.399
local terms energy: -183.133639
where:
bonds (distance) C4'-P energy: -33.566
bonds (distance) P-C4' energy: -42.159
flat angles C4'-P-C4' energy: -34.778
flat angles P-C4'-P energy: -26.050
tors. eta vs tors. theta energy: -46.581
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: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -604.712670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.712670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.712670 (E_RNA)
where:
Base-Base interactions energy: -396.779
where: short stacking energy: -172.672
Base-Backbone interact. energy: -0.071
local terms energy: -207.862814
where:
bonds (distance) C4'-P energy: -39.831
bonds (distance) P-C4' energy: -35.487
flat angles C4'-P-C4' energy: -40.143
flat angles P-C4'-P energy: -29.599
tors. eta vs tors. theta energy: -62.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -588.840263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.840263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.840263 (E_RNA)
where:
Base-Base interactions energy: -391.975
where: short stacking energy: -170.052
Base-Backbone interact. energy: -0.180
local terms energy: -196.685149
where:
bonds (distance) C4'-P energy: -39.335
bonds (distance) P-C4' energy: -38.145
flat angles C4'-P-C4' energy: -38.779
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: -59.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -515.926205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.926205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.926205 (E_RNA)
where:
Base-Base interactions energy: -341.117
where: short stacking energy: -148.956
Base-Backbone interact. energy: -1.053
local terms energy: -173.756258
where:
bonds (distance) C4'-P energy: -35.387
bonds (distance) P-C4' energy: -36.222
flat angles C4'-P-C4' energy: -38.951
flat angles P-C4'-P energy: -28.048
tors. eta vs tors. theta energy: -35.148
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: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -428.197559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.197559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.197559 (E_RNA)
where:
Base-Base interactions energy: -266.278
where: short stacking energy: -138.094
Base-Backbone interact. energy: -1.232
local terms energy: -160.686968
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -40.118
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -29.645
tors. eta vs tors. theta energy: -31.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -390.036499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.036499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.036499 (E_RNA)
where:
Base-Base interactions energy: -241.086
where: short stacking energy: -112.667
Base-Backbone interact. energy: 0.708
local terms energy: -149.659133
where:
bonds (distance) C4'-P energy: -35.714
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -37.447
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -26.453
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: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -375.471739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.471739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.471739 (E_RNA)
where:
Base-Base interactions energy: -233.965
where: short stacking energy: -113.558
Base-Backbone interact. energy: -0.913
local terms energy: -140.593191
where:
bonds (distance) C4'-P energy: -24.613
bonds (distance) P-C4' energy: -32.323
flat angles C4'-P-C4' energy: -36.887
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -263.958015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.958015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.958015 (E_RNA)
where:
Base-Base interactions energy: -138.588
where: short stacking energy: -75.273
Base-Backbone interact. energy: -2.000
local terms energy: -123.369710
where:
bonds (distance) C4'-P energy: -32.049
bonds (distance) P-C4' energy: -36.250
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -238.032859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.032859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.032859 (E_RNA)
where:
Base-Base interactions energy: -123.110
where: short stacking energy: -59.394
Base-Backbone interact. energy: 0.456
local terms energy: -115.378794
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -39.320
flat angles C4'-P-C4' energy: -28.563
flat angles P-C4'-P energy: -14.066
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: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -666.998559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.998559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.998559 (E_RNA)
where:
Base-Base interactions energy: -451.126
where: short stacking energy: -191.529
Base-Backbone interact. energy: -0.297
local terms energy: -215.575467
where:
bonds (distance) C4'-P energy: -36.656
bonds (distance) P-C4' energy: -42.077
flat angles C4'-P-C4' energy: -44.667
flat angles P-C4'-P energy: -31.016
tors. eta vs tors. theta energy: -61.160
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: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -631.651700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.651700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.651700 (E_RNA)
where:
Base-Base interactions energy: -416.817
where: short stacking energy: -201.686
Base-Backbone interact. energy: -0.462
local terms energy: -214.372517
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -45.199
flat angles C4'-P-C4' energy: -40.896
flat angles P-C4'-P energy: -23.781
tors. eta vs tors. theta energy: -65.456
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: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -560.077457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.077457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.077457 (E_RNA)
where:
Base-Base interactions energy: -365.400
where: short stacking energy: -169.821
Base-Backbone interact. energy: -0.024
local terms energy: -194.652994
where:
bonds (distance) C4'-P energy: -34.060
bonds (distance) P-C4' energy: -37.259
flat angles C4'-P-C4' energy: -43.813
flat angles P-C4'-P energy: -32.359
tors. eta vs tors. theta energy: -47.162
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: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -546.336493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.336493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.336493 (E_RNA)
where:
Base-Base interactions energy: -356.790
where: short stacking energy: -160.540
Base-Backbone interact. energy: -0.201
local terms energy: -189.345026
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -40.875
flat angles C4'-P-C4' energy: -39.257
flat angles P-C4'-P energy: -25.928
tors. eta vs tors. theta energy: -50.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -586.323761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.323761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.323761 (E_RNA)
where:
Base-Base interactions energy: -406.477
where: short stacking energy: -184.150
Base-Backbone interact. energy: -0.922
local terms energy: -178.924848
where:
bonds (distance) C4'-P energy: -32.895
bonds (distance) P-C4' energy: -34.816
flat angles C4'-P-C4' energy: -35.157
flat angles P-C4'-P energy: -24.616
tors. eta vs tors. theta energy: -51.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -436.579842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.579842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.579842 (E_RNA)
where:
Base-Base interactions energy: -285.275
where: short stacking energy: -138.293
Base-Backbone interact. energy: -1.107
local terms energy: -150.197985
where:
bonds (distance) C4'-P energy: -31.947
bonds (distance) P-C4' energy: -31.715
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -33.950
tors. eta vs tors. theta energy: -24.738
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: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -368.546643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.546643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.546643 (E_RNA)
where:
Base-Base interactions energy: -224.154
where: short stacking energy: -93.670
Base-Backbone interact. energy: -2.707
local terms energy: -141.686118
where:
bonds (distance) C4'-P energy: -36.525
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -23.332
tors. eta vs tors. theta energy: -15.026
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: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -373.134701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.134701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.134701 (E_RNA)
where:
Base-Base interactions energy: -226.979
where: short stacking energy: -96.914
Base-Backbone interact. energy: -1.308
local terms energy: -144.847136
where:
bonds (distance) C4'-P energy: -31.664
bonds (distance) P-C4' energy: -39.892
flat angles C4'-P-C4' energy: -37.949
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -14.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -256.443001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.443001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.443001 (E_RNA)
where:
Base-Base interactions energy: -135.886
where: short stacking energy: -74.675
Base-Backbone interact. energy: -0.740
local terms energy: -119.816955
where:
bonds (distance) C4'-P energy: -34.724
bonds (distance) P-C4' energy: -40.578
flat angles C4'-P-C4' energy: -27.264
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -254.413555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.413555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.413555 (E_RNA)
where:
Base-Base interactions energy: -136.629
where: short stacking energy: -79.529
Base-Backbone interact. energy: -1.380
local terms energy: -116.404331
where:
bonds (distance) C4'-P energy: -37.192
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -29.190
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -620.097366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.097366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.097366 (E_RNA)
where:
Base-Base interactions energy: -428.142
where: short stacking energy: -190.129
Base-Backbone interact. energy: -0.261
local terms energy: -191.694979
where:
bonds (distance) C4'-P energy: -36.534
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -43.616
flat angles P-C4'-P energy: -29.591
tors. eta vs tors. theta energy: -52.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -655.118131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.118131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.118131 (E_RNA)
where:
Base-Base interactions energy: -440.133
where: short stacking energy: -199.806
Base-Backbone interact. energy: -0.427
local terms energy: -214.557774
where:
bonds (distance) C4'-P energy: -37.323
bonds (distance) P-C4' energy: -41.303
flat angles C4'-P-C4' energy: -46.051
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -61.768
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: 298
Temperature: 1.000000
Total energy: -578.497426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.497426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.497426 (E_RNA)
where:
Base-Base interactions energy: -376.612
where: short stacking energy: -170.681
Base-Backbone interact. energy: -0.231
local terms energy: -201.653705
where:
bonds (distance) C4'-P energy: -45.288
bonds (distance) P-C4' energy: -42.607
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -33.606
tors. eta vs tors. theta energy: -47.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -542.482910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.482910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.482910 (E_RNA)
where:
Base-Base interactions energy: -356.680
where: short stacking energy: -165.785
Base-Backbone interact. energy: -0.066
local terms energy: -185.736917
where:
bonds (distance) C4'-P energy: -40.183
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -42.469
flat angles P-C4'-P energy: -29.494
tors. eta vs tors. theta energy: -45.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -556.644321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.644321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.644321 (E_RNA)
where:
Base-Base interactions energy: -373.959
where: short stacking energy: -151.417
Base-Backbone interact. energy: -1.331
local terms energy: -181.354848
where:
bonds (distance) C4'-P energy: -25.570
bonds (distance) P-C4' energy: -38.430
flat angles C4'-P-C4' energy: -44.050
flat angles P-C4'-P energy: -31.662
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: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -454.152460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.152460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.152460 (E_RNA)
where:
Base-Base interactions energy: -282.681
where: short stacking energy: -138.758
Base-Backbone interact. energy: -0.811
local terms energy: -170.660413
where:
bonds (distance) C4'-P energy: -35.193
bonds (distance) P-C4' energy: -43.622
flat angles C4'-P-C4' energy: -38.958
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -29.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -386.626980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.626980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.626980 (E_RNA)
where:
Base-Base interactions energy: -237.480
where: short stacking energy: -106.384
Base-Backbone interact. energy: -0.626
local terms energy: -148.520763
where:
bonds (distance) C4'-P energy: -32.372
bonds (distance) P-C4' energy: -34.023
flat angles C4'-P-C4' energy: -36.731
flat angles P-C4'-P energy: -19.294
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: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -343.230897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.230897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.230897 (E_RNA)
where:
Base-Base interactions energy: -198.241
where: short stacking energy: -89.076
Base-Backbone interact. energy: -1.074
local terms energy: -143.915509
where:
bonds (distance) C4'-P energy: -37.301
bonds (distance) P-C4' energy: -39.108
flat angles C4'-P-C4' energy: -36.235
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -9.566
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: 9, replica: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -254.275777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.275777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.275777 (E_RNA)
where:
Base-Base interactions energy: -131.833
where: short stacking energy: -84.940
Base-Backbone interact. energy: -0.665
local terms energy: -121.778106
where:
bonds (distance) C4'-P energy: -35.102
bonds (distance) P-C4' energy: -37.661
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -1.468
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: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -251.575461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.575461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.575461 (E_RNA)
where:
Base-Base interactions energy: -143.948
where: short stacking energy: -72.956
Base-Backbone interact. energy: -2.522
local terms energy: -105.105539
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -33.912
flat angles P-C4'-P energy: -22.361
tors. eta vs tors. theta energy: -0.814
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: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -641.037064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.037064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.037064 (E_RNA)
where:
Base-Base interactions energy: -424.683
where: short stacking energy: -198.994
Base-Backbone interact. energy: -0.059
local terms energy: -216.294678
where:
bonds (distance) C4'-P energy: -40.188
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -41.252
flat angles P-C4'-P energy: -27.545
tors. eta vs tors. theta energy: -63.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -660.063611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.063611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.063611 (E_RNA)
where:
Base-Base interactions energy: -446.105
where: short stacking energy: -196.435
Base-Backbone interact. energy: -0.244
local terms energy: -213.715308
where:
bonds (distance) C4'-P energy: -43.311
bonds (distance) P-C4' energy: -42.290
flat angles C4'-P-C4' energy: -44.298
flat angles P-C4'-P energy: -27.813
tors. eta vs tors. theta energy: -56.003
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: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -548.915796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.915796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.915796 (E_RNA)
where:
Base-Base interactions energy: -366.160
where: short stacking energy: -163.655
Base-Backbone interact. energy: -0.348
local terms energy: -182.407122
where:
bonds (distance) C4'-P energy: -37.981
bonds (distance) P-C4' energy: -40.895
flat angles C4'-P-C4' energy: -38.299
flat angles P-C4'-P energy: -27.890
tors. eta vs tors. theta energy: -37.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -575.902784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.902784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.902784 (E_RNA)
where:
Base-Base interactions energy: -376.640
where: short stacking energy: -157.632
Base-Backbone interact. energy: -1.044
local terms energy: -198.218589
where:
bonds (distance) C4'-P energy: -39.406
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -42.617
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: -49.217
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: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -524.764480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.764480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.764480 (E_RNA)
where:
Base-Base interactions energy: -343.596
where: short stacking energy: -146.720
Base-Backbone interact. energy: -0.073
local terms energy: -181.095371
where:
bonds (distance) C4'-P energy: -31.016
bonds (distance) P-C4' energy: -38.342
flat angles C4'-P-C4' energy: -37.664
flat angles P-C4'-P energy: -28.371
tors. eta vs tors. theta energy: -45.702
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: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -438.267381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.267381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.267381 (E_RNA)
where:
Base-Base interactions energy: -277.022
where: short stacking energy: -137.417
Base-Backbone interact. energy: -0.114
local terms energy: -161.130928
where:
bonds (distance) C4'-P energy: -30.232
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -38.942
flat angles P-C4'-P energy: -23.013
tors. eta vs tors. theta energy: -39.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -409.297571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.297571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.297571 (E_RNA)
where:
Base-Base interactions energy: -250.007
where: short stacking energy: -113.895
Base-Backbone interact. energy: -0.489
local terms energy: -158.801341
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -41.349
flat angles C4'-P-C4' energy: -34.510
flat angles P-C4'-P energy: -25.191
tors. eta vs tors. theta energy: -26.392
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: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -319.538559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.538559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.538559 (E_RNA)
where:
Base-Base interactions energy: -199.635
where: short stacking energy: -107.209
Base-Backbone interact. energy: -1.183
local terms energy: -118.720189
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -30.002
flat angles C4'-P-C4' energy: -29.100
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -244.440533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.440533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.440533 (E_RNA)
where:
Base-Base interactions energy: -118.714
where: short stacking energy: -62.980
Base-Backbone interact. energy: 0.937
local terms energy: -126.663360
where:
bonds (distance) C4'-P energy: -34.543
bonds (distance) P-C4' energy: -35.460
flat angles C4'-P-C4' energy: -38.701
flat angles P-C4'-P energy: -14.349
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: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -247.936747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.936747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.936747 (E_RNA)
where:
Base-Base interactions energy: -142.399
where: short stacking energy: -87.740
Base-Backbone interact. energy: 0.608
local terms energy: -106.145267
where:
bonds (distance) C4'-P energy: -27.630
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -28.608
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -10.386
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: 300
Temperature: 0.900000
Total energy: -671.988744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.988744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.988744 (E_RNA)
where:
Base-Base interactions energy: -447.606
where: short stacking energy: -194.373
Base-Backbone interact. energy: -0.033
local terms energy: -224.348878
where:
bonds (distance) C4'-P energy: -42.285
bonds (distance) P-C4' energy: -44.638
flat angles C4'-P-C4' energy: -41.041
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -61.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -634.445122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.445122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.445122 (E_RNA)
where:
Base-Base interactions energy: -421.628
where: short stacking energy: -190.871
Base-Backbone interact. energy: -0.081
local terms energy: -212.735948
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -44.990
flat angles C4'-P-C4' energy: -42.626
flat angles P-C4'-P energy: -31.395
tors. eta vs tors. theta energy: -60.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -578.319386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.319386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.319386 (E_RNA)
where:
Base-Base interactions energy: -386.186
where: short stacking energy: -169.685
Base-Backbone interact. energy: -0.626
local terms energy: -191.508039
where:
bonds (distance) C4'-P energy: -38.446
bonds (distance) P-C4' energy: -41.737
flat angles C4'-P-C4' energy: -44.097
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -44.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -548.783438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.783438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.783438 (E_RNA)
where:
Base-Base interactions energy: -354.084
where: short stacking energy: -170.527
Base-Backbone interact. energy: -0.110
local terms energy: -194.589701
where:
bonds (distance) C4'-P energy: -41.188
bonds (distance) P-C4' energy: -33.999
flat angles C4'-P-C4' energy: -43.009
flat angles P-C4'-P energy: -33.604
tors. eta vs tors. theta energy: -42.789
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: 300
Temperature: 1.100000
Total energy: -513.879994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.879994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.879994 (E_RNA)
where:
Base-Base interactions energy: -345.029
where: short stacking energy: -146.451
Base-Backbone interact. energy: -0.505
local terms energy: -168.345373
where:
bonds (distance) C4'-P energy: -33.578
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -37.770
flat angles P-C4'-P energy: -24.011
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: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -426.488338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.488338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.488338 (E_RNA)
where:
Base-Base interactions energy: -265.555
where: short stacking energy: -119.908
Base-Backbone interact. energy: -0.726
local terms energy: -160.208277
where:
bonds (distance) C4'-P energy: -28.846
bonds (distance) P-C4' energy: -43.592
flat angles C4'-P-C4' energy: -29.275
flat angles P-C4'-P energy: -28.473
tors. eta vs tors. theta energy: -30.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -443.531330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.531330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.531330 (E_RNA)
where:
Base-Base interactions energy: -281.783
where: short stacking energy: -152.524
Base-Backbone interact. energy: -0.779
local terms energy: -160.970048
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -36.450
flat angles C4'-P-C4' energy: -38.482
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -35.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -335.080337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.080337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.080337 (E_RNA)
where:
Base-Base interactions energy: -204.218
where: short stacking energy: -90.707
Base-Backbone interact. energy: -1.490
local terms energy: -129.372258
where:
bonds (distance) C4'-P energy: -26.831
bonds (distance) P-C4' energy: -32.509
flat angles C4'-P-C4' energy: -33.925
flat angles P-C4'-P energy: -24.311
tors. eta vs tors. theta energy: -11.796
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: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -276.090624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.090624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.090624 (E_RNA)
where:
Base-Base interactions energy: -147.087
where: short stacking energy: -91.339
Base-Backbone interact. energy: 0.196
local terms energy: -129.200006
where:
bonds (distance) C4'-P energy: -26.896
bonds (distance) P-C4' energy: -38.285
flat angles C4'-P-C4' energy: -30.746
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -232.735256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.735256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.735256 (E_RNA)
where:
Base-Base interactions energy: -107.998
where: short stacking energy: -67.126
Base-Backbone interact. energy: -1.402
local terms energy: -123.335264
where:
bonds (distance) C4'-P energy: -32.803
bonds (distance) P-C4' energy: -40.304
flat angles C4'-P-C4' energy: -25.716
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: 0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -665.834444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.834444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.834444 (E_RNA)
where:
Base-Base interactions energy: -452.754
where: short stacking energy: -198.010
Base-Backbone interact. energy: 0.854
local terms energy: -213.934477
where:
bonds (distance) C4'-P energy: -41.647
bonds (distance) P-C4' energy: -38.233
flat angles C4'-P-C4' energy: -38.142
flat angles P-C4'-P energy: -32.983
tors. eta vs tors. theta energy: -62.929
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: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -635.266615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.266615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.266615 (E_RNA)
where:
Base-Base interactions energy: -413.126
where: short stacking energy: -187.731
Base-Backbone interact. energy: -1.923
local terms energy: -220.217205
where:
bonds (distance) C4'-P energy: -41.343
bonds (distance) P-C4' energy: -41.536
flat angles C4'-P-C4' energy: -45.543
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -59.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -597.025118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.025118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.025118 (E_RNA)
where:
Base-Base interactions energy: -399.661
where: short stacking energy: -182.045
Base-Backbone interact. energy: -1.755
local terms energy: -195.609416
where:
bonds (distance) C4'-P energy: -39.656
bonds (distance) P-C4' energy: -35.021
flat angles C4'-P-C4' energy: -41.574
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -57.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -570.731448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.731448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.731448 (E_RNA)
where:
Base-Base interactions energy: -368.130
where: short stacking energy: -165.952
Base-Backbone interact. energy: -0.314
local terms energy: -202.286767
where:
bonds (distance) C4'-P energy: -38.533
bonds (distance) P-C4' energy: -38.206
flat angles C4'-P-C4' energy: -44.044
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -50.272
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: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -509.591802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.591802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.591802 (E_RNA)
where:
Base-Base interactions energy: -330.623
where: short stacking energy: -149.240
Base-Backbone interact. energy: -0.643
local terms energy: -178.326452
where:
bonds (distance) C4'-P energy: -38.375
bonds (distance) P-C4' energy: -41.350
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -35.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -451.314043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.314043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.314043 (E_RNA)
where:
Base-Base interactions energy: -292.743
where: short stacking energy: -137.994
Base-Backbone interact. energy: -0.878
local terms energy: -157.693076
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -34.341
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -22.250
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: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -439.489484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.489484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.489484 (E_RNA)
where:
Base-Base interactions energy: -270.805
where: short stacking energy: -126.115
Base-Backbone interact. energy: -0.209
local terms energy: -168.475307
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -41.856
flat angles C4'-P-C4' energy: -38.533
flat angles P-C4'-P energy: -29.671
tors. eta vs tors. theta energy: -25.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -335.174796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.174796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.174796 (E_RNA)
where:
Base-Base interactions energy: -202.813
where: short stacking energy: -86.589
Base-Backbone interact. energy: -0.355
local terms energy: -132.006961
where:
bonds (distance) C4'-P energy: -36.150
bonds (distance) P-C4' energy: -28.310
flat angles C4'-P-C4' energy: -27.398
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -277.325324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.325324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.325324 (E_RNA)
where:
Base-Base interactions energy: -161.533
where: short stacking energy: -87.245
Base-Backbone interact. energy: 2.841
local terms energy: -118.633235
where:
bonds (distance) C4'-P energy: -35.773
bonds (distance) P-C4' energy: -26.387
flat angles C4'-P-C4' energy: -34.207
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -5.535
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: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -254.305814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.305814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.305814 (E_RNA)
where:
Base-Base interactions energy: -157.039
where: short stacking energy: -75.884
Base-Backbone interact. energy: 4.916
local terms energy: -102.183026
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -29.788
flat angles C4'-P-C4' energy: -32.584
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -1.193
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: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -652.492063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.492063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.492063 (E_RNA)
where:
Base-Base interactions energy: -459.938
where: short stacking energy: -207.948
Base-Backbone interact. energy: 0.826
local terms energy: -193.380537
where:
bonds (distance) C4'-P energy: -34.503
bonds (distance) P-C4' energy: -35.341
flat angles C4'-P-C4' energy: -37.746
flat angles P-C4'-P energy: -25.989
tors. eta vs tors. theta energy: -59.802
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: 2, replica: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -641.929418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.929418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.929418 (E_RNA)
where:
Base-Base interactions energy: -425.018
where: short stacking energy: -205.554
Base-Backbone interact. energy: -0.369
local terms energy: -216.543190
where:
bonds (distance) C4'-P energy: -36.371
bonds (distance) P-C4' energy: -40.762
flat angles C4'-P-C4' energy: -44.302
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -60.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -566.512668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.512668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.512668 (E_RNA)
where:
Base-Base interactions energy: -376.401
where: short stacking energy: -189.141
Base-Backbone interact. energy: -0.122
local terms energy: -189.989614
where:
bonds (distance) C4'-P energy: -37.755
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -37.042
flat angles P-C4'-P energy: -23.269
tors. eta vs tors. theta energy: -54.069
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: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -583.002991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.002991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.002991 (E_RNA)
where:
Base-Base interactions energy: -390.033
where: short stacking energy: -167.522
Base-Backbone interact. energy: 0.059
local terms energy: -193.028716
where:
bonds (distance) C4'-P energy: -34.572
bonds (distance) P-C4' energy: -39.919
flat angles C4'-P-C4' energy: -37.945
flat angles P-C4'-P energy: -25.704
tors. eta vs tors. theta energy: -54.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -500.144819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.144819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.144819 (E_RNA)
where:
Base-Base interactions energy: -330.292
where: short stacking energy: -140.349
Base-Backbone interact. energy: -0.289
local terms energy: -169.564413
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -40.062
flat angles C4'-P-C4' energy: -32.524
flat angles P-C4'-P energy: -30.911
tors. eta vs tors. theta energy: -36.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -434.359411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.359411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.359411 (E_RNA)
where:
Base-Base interactions energy: -276.694
where: short stacking energy: -133.550
Base-Backbone interact. energy: -1.017
local terms energy: -156.648568
where:
bonds (distance) C4'-P energy: -30.718
bonds (distance) P-C4' energy: -32.926
flat angles C4'-P-C4' energy: -34.091
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -34.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -436.854196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.854196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.854196 (E_RNA)
where:
Base-Base interactions energy: -282.288
where: short stacking energy: -117.595
Base-Backbone interact. energy: -1.048
local terms energy: -153.517599
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -30.558
flat angles C4'-P-C4' energy: -34.587
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -40.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -341.367081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.367081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.367081 (E_RNA)
where:
Base-Base interactions energy: -201.243
where: short stacking energy: -85.821
Base-Backbone interact. energy: -1.115
local terms energy: -139.009504
where:
bonds (distance) C4'-P energy: -30.670
bonds (distance) P-C4' energy: -38.021
flat angles C4'-P-C4' energy: -36.613
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -16.212
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: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -269.475332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.475332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.475332 (E_RNA)
where:
Base-Base interactions energy: -130.878
where: short stacking energy: -79.663
Base-Backbone interact. energy: -1.071
local terms energy: -137.526838
where:
bonds (distance) C4'-P energy: -41.190
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -35.258
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -8.501
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: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -258.382415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.382415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.382415 (E_RNA)
where:
Base-Base interactions energy: -138.235
where: short stacking energy: -81.977
Base-Backbone interact. energy: 0.375
local terms energy: -120.522462
where:
bonds (distance) C4'-P energy: -26.679
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -27.791
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -10.468
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: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -671.426733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.426733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.426733 (E_RNA)
where:
Base-Base interactions energy: -457.396
where: short stacking energy: -191.249
Base-Backbone interact. energy: -0.538
local terms energy: -213.492527
where:
bonds (distance) C4'-P energy: -44.564
bonds (distance) P-C4' energy: -43.063
flat angles C4'-P-C4' energy: -40.192
flat angles P-C4'-P energy: -27.564
tors. eta vs tors. theta energy: -58.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -642.107566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.107566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.107566 (E_RNA)
where:
Base-Base interactions energy: -426.036
where: short stacking energy: -197.605
Base-Backbone interact. energy: -0.122
local terms energy: -215.950496
where:
bonds (distance) C4'-P energy: -36.365
bonds (distance) P-C4' energy: -44.053
flat angles C4'-P-C4' energy: -44.888
flat angles P-C4'-P energy: -30.304
tors. eta vs tors. theta energy: -60.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -561.710078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.710078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.710078 (E_RNA)
where:
Base-Base interactions energy: -377.401
where: short stacking energy: -178.686
Base-Backbone interact. energy: 1.693
local terms energy: -186.001795
where:
bonds (distance) C4'-P energy: -35.949
bonds (distance) P-C4' energy: -32.442
flat angles C4'-P-C4' energy: -43.995
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -47.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -583.638050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.638050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.638050 (E_RNA)
where:
Base-Base interactions energy: -385.499
where: short stacking energy: -170.156
Base-Backbone interact. energy: 0.375
local terms energy: -198.513891
where:
bonds (distance) C4'-P energy: -34.153
bonds (distance) P-C4' energy: -43.327
flat angles C4'-P-C4' energy: -43.147
flat angles P-C4'-P energy: -27.892
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: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -511.438622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.438622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.438622 (E_RNA)
where:
Base-Base interactions energy: -330.555
where: short stacking energy: -151.109
Base-Backbone interact. energy: -0.188
local terms energy: -180.695767
where:
bonds (distance) C4'-P energy: -38.032
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -40.220
flat angles P-C4'-P energy: -28.323
tors. eta vs tors. theta energy: -39.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -424.362685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.362685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.362685 (E_RNA)
where:
Base-Base interactions energy: -262.547
where: short stacking energy: -118.734
Base-Backbone interact. energy: -0.217
local terms energy: -161.599192
where:
bonds (distance) C4'-P energy: -33.676
bonds (distance) P-C4' energy: -40.428
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -28.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -413.803806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.803806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.803806 (E_RNA)
where:
Base-Base interactions energy: -275.175
where: short stacking energy: -129.460
Base-Backbone interact. energy: 1.745
local terms energy: -140.374047
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -34.590
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -29.741
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: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -334.570429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.570429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.570429 (E_RNA)
where:
Base-Base interactions energy: -207.452
where: short stacking energy: -92.389
Base-Backbone interact. energy: -1.177
local terms energy: -125.940725
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -35.194
flat angles C4'-P-C4' energy: -29.672
flat angles P-C4'-P energy: -24.816
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -262.247492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.247492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.247492 (E_RNA)
where:
Base-Base interactions energy: -134.922
where: short stacking energy: -75.182
Base-Backbone interact. energy: 0.299
local terms energy: -127.624169
where:
bonds (distance) C4'-P energy: -34.738
bonds (distance) P-C4' energy: -37.788
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -18.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -247.986581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.986581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.986581 (E_RNA)
where:
Base-Base interactions energy: -129.644
where: short stacking energy: -69.302
Base-Backbone interact. energy: -0.661
local terms energy: -117.681232
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -31.607
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -674.381043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.381043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.381043 (E_RNA)
where:
Base-Base interactions energy: -454.952
where: short stacking energy: -207.885
Base-Backbone interact. energy: 0.294
local terms energy: -219.722803
where:
bonds (distance) C4'-P energy: -41.894
bonds (distance) P-C4' energy: -35.237
flat angles C4'-P-C4' energy: -49.299
flat angles P-C4'-P energy: -30.302
tors. eta vs tors. theta energy: -62.991
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: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -631.629963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.629963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.629963 (E_RNA)
where:
Base-Base interactions energy: -428.220
where: short stacking energy: -195.866
Base-Backbone interact. energy: -0.173
local terms energy: -203.236953
where:
bonds (distance) C4'-P energy: -35.846
bonds (distance) P-C4' energy: -38.296
flat angles C4'-P-C4' energy: -44.916
flat angles P-C4'-P energy: -27.007
tors. eta vs tors. theta energy: -57.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -613.353038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.353038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.353038 (E_RNA)
where:
Base-Base interactions energy: -402.915
where: short stacking energy: -180.609
Base-Backbone interact. energy: -0.035
local terms energy: -210.403247
where:
bonds (distance) C4'-P energy: -42.062
bonds (distance) P-C4' energy: -42.926
flat angles C4'-P-C4' energy: -41.789
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -59.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -534.972995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.972995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.972995 (E_RNA)
where:
Base-Base interactions energy: -348.694
where: short stacking energy: -152.384
Base-Backbone interact. energy: -1.264
local terms energy: -185.014581
where:
bonds (distance) C4'-P energy: -35.634
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -41.474
flat angles P-C4'-P energy: -28.919
tors. eta vs tors. theta energy: -42.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -506.665921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.665921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.665921 (E_RNA)
where:
Base-Base interactions energy: -334.770
where: short stacking energy: -145.519
Base-Backbone interact. energy: -1.210
local terms energy: -170.685870
where:
bonds (distance) C4'-P energy: -30.326
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -40.436
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -36.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -430.997092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.997092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.997092 (E_RNA)
where:
Base-Base interactions energy: -276.297
where: short stacking energy: -118.183
Base-Backbone interact. energy: -0.258
local terms energy: -154.441944
where:
bonds (distance) C4'-P energy: -29.909
bonds (distance) P-C4' energy: -35.101
flat angles C4'-P-C4' energy: -35.341
flat angles P-C4'-P energy: -31.910
tors. eta vs tors. theta energy: -22.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -405.292853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.292853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.292853 (E_RNA)
where:
Base-Base interactions energy: -253.849
where: short stacking energy: -114.333
Base-Backbone interact. energy: 1.891
local terms energy: -153.334127
where:
bonds (distance) C4'-P energy: -37.726
bonds (distance) P-C4' energy: -38.052
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -26.316
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: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -341.646188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.646188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.646188 (E_RNA)
where:
Base-Base interactions energy: -202.237
where: short stacking energy: -92.221
Base-Backbone interact. energy: -1.337
local terms energy: -138.071856
where:
bonds (distance) C4'-P energy: -30.450
bonds (distance) P-C4' energy: -39.070
flat angles C4'-P-C4' energy: -32.101
flat angles P-C4'-P energy: -25.476
tors. eta vs tors. theta energy: -10.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -269.957115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.957115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.957115 (E_RNA)
where:
Base-Base interactions energy: -132.914
where: short stacking energy: -77.930
Base-Backbone interact. energy: -1.435
local terms energy: -135.608597
where:
bonds (distance) C4'-P energy: -40.059
bonds (distance) P-C4' energy: -36.776
flat angles C4'-P-C4' energy: -35.707
flat angles P-C4'-P energy: -18.557
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -276.301060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.301060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.301060 (E_RNA)
where:
Base-Base interactions energy: -151.000
where: short stacking energy: -97.933
Base-Backbone interact. energy: -0.647
local terms energy: -124.654393
where:
bonds (distance) C4'-P energy: -34.450
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -26.603
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -20.164
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: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -653.198952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.198952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.198952 (E_RNA)
where:
Base-Base interactions energy: -443.268
where: short stacking energy: -214.659
Base-Backbone interact. energy: -1.987
local terms energy: -207.943462
where:
bonds (distance) C4'-P energy: -32.889
bonds (distance) P-C4' energy: -38.024
flat angles C4'-P-C4' energy: -44.914
flat angles P-C4'-P energy: -24.788
tors. eta vs tors. theta energy: -67.329
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: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -630.889490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.889490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.889490 (E_RNA)
where:
Base-Base interactions energy: -432.835
where: short stacking energy: -194.848
Base-Backbone interact. energy: -0.085
local terms energy: -197.969885
where:
bonds (distance) C4'-P energy: -34.314
bonds (distance) P-C4' energy: -32.127
flat angles C4'-P-C4' energy: -38.238
flat angles P-C4'-P energy: -30.435
tors. eta vs tors. theta energy: -62.856
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: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -605.772738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.772738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.772738 (E_RNA)
where:
Base-Base interactions energy: -413.893
where: short stacking energy: -190.099
Base-Backbone interact. energy: 0.158
local terms energy: -192.037154
where:
bonds (distance) C4'-P energy: -32.311
bonds (distance) P-C4' energy: -40.751
flat angles C4'-P-C4' energy: -41.488
flat angles P-C4'-P energy: -26.754
tors. eta vs tors. theta energy: -50.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -549.934642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.934642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.934642 (E_RNA)
where:
Base-Base interactions energy: -368.965
where: short stacking energy: -164.035
Base-Backbone interact. energy: -0.134
local terms energy: -180.835370
where:
bonds (distance) C4'-P energy: -42.035
bonds (distance) P-C4' energy: -35.567
flat angles C4'-P-C4' energy: -36.479
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -48.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -491.889849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.889849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.889849 (E_RNA)
where:
Base-Base interactions energy: -315.606
where: short stacking energy: -144.943
Base-Backbone interact. energy: 0.776
local terms energy: -177.059972
where:
bonds (distance) C4'-P energy: -40.881
bonds (distance) P-C4' energy: -44.166
flat angles C4'-P-C4' energy: -34.267
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -33.702
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: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -437.914016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.914016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.914016 (E_RNA)
where:
Base-Base interactions energy: -274.302
where: short stacking energy: -128.418
Base-Backbone interact. energy: -0.436
local terms energy: -163.175960
where:
bonds (distance) C4'-P energy: -38.299
bonds (distance) P-C4' energy: -31.167
flat angles C4'-P-C4' energy: -41.115
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: -28.023
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: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -427.812072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.812072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.812072 (E_RNA)
where:
Base-Base interactions energy: -282.330
where: short stacking energy: -126.696
Base-Backbone interact. energy: -0.355
local terms energy: -145.127122
where:
bonds (distance) C4'-P energy: -27.365
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -32.417
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -31.623
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: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -346.825374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.825374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.825374 (E_RNA)
where:
Base-Base interactions energy: -197.738
where: short stacking energy: -97.131
Base-Backbone interact. energy: -0.657
local terms energy: -148.430359
where:
bonds (distance) C4'-P energy: -35.216
bonds (distance) P-C4' energy: -37.113
flat angles C4'-P-C4' energy: -34.419
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -18.080
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: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -266.755387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.755387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.755387 (E_RNA)
where:
Base-Base interactions energy: -138.091
where: short stacking energy: -78.380
Base-Backbone interact. energy: -0.631
local terms energy: -128.033284
where:
bonds (distance) C4'-P energy: -36.359
bonds (distance) P-C4' energy: -34.782
flat angles C4'-P-C4' energy: -34.892
flat angles P-C4'-P energy: -9.489
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: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -242.848174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.848174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.848174 (E_RNA)
where:
Base-Base interactions energy: -119.083
where: short stacking energy: -68.934
Base-Backbone interact. energy: -0.246
local terms energy: -123.518490
where:
bonds (distance) C4'-P energy: -34.530
bonds (distance) P-C4' energy: -37.441
flat angles C4'-P-C4' energy: -27.986
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -669.322933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.322933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.322933 (E_RNA)
where:
Base-Base interactions energy: -465.865
where: short stacking energy: -193.968
Base-Backbone interact. energy: -0.534
local terms energy: -202.923707
where:
bonds (distance) C4'-P energy: -35.540
bonds (distance) P-C4' energy: -43.082
flat angles C4'-P-C4' energy: -45.175
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -57.968
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: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -651.484179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.484179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.484179 (E_RNA)
where:
Base-Base interactions energy: -434.661
where: short stacking energy: -199.824
Base-Backbone interact. energy: -0.117
local terms energy: -216.706399
where:
bonds (distance) C4'-P energy: -32.668
bonds (distance) P-C4' energy: -38.133
flat angles C4'-P-C4' energy: -47.110
flat angles P-C4'-P energy: -34.655
tors. eta vs tors. theta energy: -64.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -601.146296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.146296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.146296 (E_RNA)
where:
Base-Base interactions energy: -420.922
where: short stacking energy: -182.479
Base-Backbone interact. energy: -0.399
local terms energy: -179.825285
where:
bonds (distance) C4'-P energy: -38.021
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -38.882
flat angles P-C4'-P energy: -20.015
tors. eta vs tors. theta energy: -56.381
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: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -530.770024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.770024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.770024 (E_RNA)
where:
Base-Base interactions energy: -349.189
where: short stacking energy: -155.380
Base-Backbone interact. energy: -0.750
local terms energy: -180.830940
where:
bonds (distance) C4'-P energy: -39.259
bonds (distance) P-C4' energy: -42.523
flat angles C4'-P-C4' energy: -36.931
flat angles P-C4'-P energy: -27.381
tors. eta vs tors. theta energy: -34.737
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: 5, replica: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -505.563790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.563790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.563790 (E_RNA)
where:
Base-Base interactions energy: -332.674
where: short stacking energy: -169.354
Base-Backbone interact. energy: -0.006
local terms energy: -172.883361
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -37.049
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -46.392
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: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -455.359220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.359220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.359220 (E_RNA)
where:
Base-Base interactions energy: -306.732
where: short stacking energy: -126.000
Base-Backbone interact. energy: -0.352
local terms energy: -148.275213
where:
bonds (distance) C4'-P energy: -32.878
bonds (distance) P-C4' energy: -36.856
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -29.629
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: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -434.652544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.652544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.652544 (E_RNA)
where:
Base-Base interactions energy: -285.081
where: short stacking energy: -127.813
Base-Backbone interact. energy: -0.409
local terms energy: -149.162078
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -40.913
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: -25.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -371.081889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.081889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.081889 (E_RNA)
where:
Base-Base interactions energy: -227.197
where: short stacking energy: -94.221
Base-Backbone interact. energy: -1.087
local terms energy: -142.798322
where:
bonds (distance) C4'-P energy: -38.332
bonds (distance) P-C4' energy: -37.331
flat angles C4'-P-C4' energy: -29.513
flat angles P-C4'-P energy: -20.791
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -257.484850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.484850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.484850 (E_RNA)
where:
Base-Base interactions energy: -133.967
where: short stacking energy: -79.328
Base-Backbone interact. energy: 0.572
local terms energy: -124.090247
where:
bonds (distance) C4'-P energy: -30.431
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -23.915
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -255.292668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.292668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.292668 (E_RNA)
where:
Base-Base interactions energy: -138.280
where: short stacking energy: -71.708
Base-Backbone interact. energy: -2.447
local terms energy: -114.565874
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -38.455
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -668.187343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.187343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.187343 (E_RNA)
where:
Base-Base interactions energy: -453.874
where: short stacking energy: -195.149
Base-Backbone interact. energy: 0.093
local terms energy: -214.406296
where:
bonds (distance) C4'-P energy: -38.886
bonds (distance) P-C4' energy: -43.677
flat angles C4'-P-C4' energy: -44.659
flat angles P-C4'-P energy: -24.732
tors. eta vs tors. theta energy: -62.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -603.641218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.641218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.641218 (E_RNA)
where:
Base-Base interactions energy: -407.915
where: short stacking energy: -177.603
Base-Backbone interact. energy: -0.323
local terms energy: -195.402899
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -39.078
flat angles C4'-P-C4' energy: -38.248
flat angles P-C4'-P energy: -31.117
tors. eta vs tors. theta energy: -57.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -616.077564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.077564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.077564 (E_RNA)
where:
Base-Base interactions energy: -411.468
where: short stacking energy: -188.297
Base-Backbone interact. energy: -0.833
local terms energy: -203.776723
where:
bonds (distance) C4'-P energy: -41.795
bonds (distance) P-C4' energy: -37.374
flat angles C4'-P-C4' energy: -41.943
flat angles P-C4'-P energy: -24.069
tors. eta vs tors. theta energy: -58.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -553.752582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.752582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.752582 (E_RNA)
where:
Base-Base interactions energy: -357.952
where: short stacking energy: -156.260
Base-Backbone interact. energy: -0.403
local terms energy: -195.398273
where:
bonds (distance) C4'-P energy: -41.867
bonds (distance) P-C4' energy: -41.904
flat angles C4'-P-C4' energy: -39.678
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -46.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -520.347938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.347938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.347938 (E_RNA)
where:
Base-Base interactions energy: -333.560
where: short stacking energy: -160.611
Base-Backbone interact. energy: -1.404
local terms energy: -185.384009
where:
bonds (distance) C4'-P energy: -38.190
bonds (distance) P-C4' energy: -30.540
flat angles C4'-P-C4' energy: -40.890
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: -46.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -455.962847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.962847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.962847 (E_RNA)
where:
Base-Base interactions energy: -310.937
where: short stacking energy: -117.422
Base-Backbone interact. energy: -0.948
local terms energy: -144.078108
where:
bonds (distance) C4'-P energy: -34.006
bonds (distance) P-C4' energy: -40.621
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -383.706945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.706945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.706945 (E_RNA)
where:
Base-Base interactions energy: -236.998
where: short stacking energy: -96.497
Base-Backbone interact. energy: 0.435
local terms energy: -147.143455
where:
bonds (distance) C4'-P energy: -37.277
bonds (distance) P-C4' energy: -32.384
flat angles C4'-P-C4' energy: -36.503
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -360.464954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.464954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.464954 (E_RNA)
where:
Base-Base interactions energy: -220.553
where: short stacking energy: -107.994
Base-Backbone interact. energy: -2.301
local terms energy: -137.610698
where:
bonds (distance) C4'-P energy: -33.989
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -276.182253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.182253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.182253 (E_RNA)
where:
Base-Base interactions energy: -146.788
where: short stacking energy: -90.445
Base-Backbone interact. energy: 1.936
local terms energy: -131.330117
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -38.222
flat angles C4'-P-C4' energy: -29.034
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -11.494
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: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -248.638439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.638439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.638439 (E_RNA)
where:
Base-Base interactions energy: -144.965
where: short stacking energy: -74.305
Base-Backbone interact. energy: -0.588
local terms energy: -103.085660
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -27.512
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -658.688928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.688928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.688928 (E_RNA)
where:
Base-Base interactions energy: -448.562
where: short stacking energy: -198.759
Base-Backbone interact. energy: -1.265
local terms energy: -208.861789
where:
bonds (distance) C4'-P energy: -35.072
bonds (distance) P-C4' energy: -42.182
flat angles C4'-P-C4' energy: -39.456
flat angles P-C4'-P energy: -29.114
tors. eta vs tors. theta energy: -63.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -603.639711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.639711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.639711 (E_RNA)
where:
Base-Base interactions energy: -404.700
where: short stacking energy: -183.472
Base-Backbone interact. energy: -2.721
local terms energy: -196.218906
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -31.657
flat angles C4'-P-C4' energy: -45.176
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -58.018
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: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -617.196008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.196008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.196008 (E_RNA)
where:
Base-Base interactions energy: -417.310
where: short stacking energy: -189.550
Base-Backbone interact. energy: -0.333
local terms energy: -199.552405
where:
bonds (distance) C4'-P energy: -36.736
bonds (distance) P-C4' energy: -36.775
flat angles C4'-P-C4' energy: -36.104
flat angles P-C4'-P energy: -31.849
tors. eta vs tors. theta energy: -58.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -564.477791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.477791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.477791 (E_RNA)
where:
Base-Base interactions energy: -391.519
where: short stacking energy: -161.030
Base-Backbone interact. energy: -0.060
local terms energy: -172.898587
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -38.623
flat angles C4'-P-C4' energy: -33.001
flat angles P-C4'-P energy: -26.534
tors. eta vs tors. theta energy: -48.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -513.029550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.029550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.029550 (E_RNA)
where:
Base-Base interactions energy: -334.210
where: short stacking energy: -160.029
Base-Backbone interact. energy: 0.787
local terms energy: -179.606527
where:
bonds (distance) C4'-P energy: -34.892
bonds (distance) P-C4' energy: -44.212
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -20.502
tors. eta vs tors. theta energy: -41.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -507.134938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.134938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.134938 (E_RNA)
where:
Base-Base interactions energy: -339.961
where: short stacking energy: -148.199
Base-Backbone interact. energy: -1.171
local terms energy: -166.002554
where:
bonds (distance) C4'-P energy: -32.764
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -38.189
flat angles P-C4'-P energy: -31.311
tors. eta vs tors. theta energy: -32.293
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: 308
Temperature: 1.200000
Total energy: -396.965403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.965403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.965403 (E_RNA)
where:
Base-Base interactions energy: -235.876
where: short stacking energy: -104.368
Base-Backbone interact. energy: -2.044
local terms energy: -159.044785
where:
bonds (distance) C4'-P energy: -39.358
bonds (distance) P-C4' energy: -34.246
flat angles C4'-P-C4' energy: -32.458
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -30.623
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: 308
Temperature: 1.250000
Total energy: -367.968307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.968307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.968307 (E_RNA)
where:
Base-Base interactions energy: -236.060
where: short stacking energy: -120.293
Base-Backbone interact. energy: 0.604
local terms energy: -132.512225
where:
bonds (distance) C4'-P energy: -36.844
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -37.597
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -278.453055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.453055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.453055 (E_RNA)
where:
Base-Base interactions energy: -159.329
where: short stacking energy: -93.758
Base-Backbone interact. energy: 1.195
local terms energy: -120.319270
where:
bonds (distance) C4'-P energy: -29.421
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -40.347
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -248.339460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.339460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.339460 (E_RNA)
where:
Base-Base interactions energy: -128.931
where: short stacking energy: -50.555
Base-Backbone interact. energy: -0.538
local terms energy: -118.870673
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -43.307
flat angles C4'-P-C4' energy: -29.100
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -677.505585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.505585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.505585 (E_RNA)
where:
Base-Base interactions energy: -456.016
where: short stacking energy: -205.022
Base-Backbone interact. energy: -0.225
local terms energy: -221.264450
where:
bonds (distance) C4'-P energy: -37.648
bonds (distance) P-C4' energy: -38.423
flat angles C4'-P-C4' energy: -45.055
flat angles P-C4'-P energy: -36.568
tors. eta vs tors. theta energy: -63.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -631.974444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.974444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.974444 (E_RNA)
where:
Base-Base interactions energy: -424.505
where: short stacking energy: -197.762
Base-Backbone interact. energy: -1.093
local terms energy: -206.376464
where:
bonds (distance) C4'-P energy: -43.779
bonds (distance) P-C4' energy: -42.214
flat angles C4'-P-C4' energy: -43.413
flat angles P-C4'-P energy: -20.290
tors. eta vs tors. theta energy: -56.681
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: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -625.200635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.200635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.200635 (E_RNA)
where:
Base-Base interactions energy: -432.971
where: short stacking energy: -199.880
Base-Backbone interact. energy: 0.443
local terms energy: -192.672707
where:
bonds (distance) C4'-P energy: -26.402
bonds (distance) P-C4' energy: -46.015
flat angles C4'-P-C4' energy: -43.000
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: -53.365
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: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -590.113283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.113283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.113283 (E_RNA)
where:
Base-Base interactions energy: -404.568
where: short stacking energy: -176.166
Base-Backbone interact. energy: 1.298
local terms energy: -186.842845
where:
bonds (distance) C4'-P energy: -34.341
bonds (distance) P-C4' energy: -31.027
flat angles C4'-P-C4' energy: -40.347
flat angles P-C4'-P energy: -26.749
tors. eta vs tors. theta energy: -54.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -494.580970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.580970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.580970 (E_RNA)
where:
Base-Base interactions energy: -333.092
where: short stacking energy: -141.071
Base-Backbone interact. energy: -1.300
local terms energy: -160.188861
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -35.222
flat angles C4'-P-C4' energy: -38.441
flat angles P-C4'-P energy: -27.173
tors. eta vs tors. theta energy: -31.821
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: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -505.094328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.094328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.094328 (E_RNA)
where:
Base-Base interactions energy: -334.462
where: short stacking energy: -143.036
Base-Backbone interact. energy: -1.629
local terms energy: -169.003066
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -38.510
flat angles C4'-P-C4' energy: -39.141
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: -36.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -441.706018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.706018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.706018 (E_RNA)
where:
Base-Base interactions energy: -286.050
where: short stacking energy: -116.987
Base-Backbone interact. energy: -0.955
local terms energy: -154.701365
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -38.166
flat angles C4'-P-C4' energy: -37.322
flat angles P-C4'-P energy: -23.136
tors. eta vs tors. theta energy: -23.231
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: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -370.264627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.264627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.264627 (E_RNA)
where:
Base-Base interactions energy: -242.854
where: short stacking energy: -107.637
Base-Backbone interact. energy: 0.802
local terms energy: -128.211952
where:
bonds (distance) C4'-P energy: -29.617
bonds (distance) P-C4' energy: -30.358
flat angles C4'-P-C4' energy: -28.505
flat angles P-C4'-P energy: -20.698
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -273.321176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.321176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.321176 (E_RNA)
where:
Base-Base interactions energy: -135.615
where: short stacking energy: -69.603
Base-Backbone interact. energy: -0.046
local terms energy: -137.659642
where:
bonds (distance) C4'-P energy: -33.547
bonds (distance) P-C4' energy: -33.598
flat angles C4'-P-C4' energy: -32.153
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -14.231
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: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -267.392523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.392523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.392523 (E_RNA)
where:
Base-Base interactions energy: -140.442
where: short stacking energy: -85.321
Base-Backbone interact. energy: -0.642
local terms energy: -126.308574
where:
bonds (distance) C4'-P energy: -33.537
bonds (distance) P-C4' energy: -40.160
flat angles C4'-P-C4' energy: -30.124
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -7.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -674.029896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.029896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.029896 (E_RNA)
where:
Base-Base interactions energy: -459.035
where: short stacking energy: -209.931
Base-Backbone interact. energy: -0.292
local terms energy: -214.703283
where:
bonds (distance) C4'-P energy: -37.690
bonds (distance) P-C4' energy: -41.639
flat angles C4'-P-C4' energy: -44.951
flat angles P-C4'-P energy: -27.720
tors. eta vs tors. theta energy: -62.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -612.117891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.117891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.117891 (E_RNA)
where:
Base-Base interactions energy: -410.857
where: short stacking energy: -184.926
Base-Backbone interact. energy: -0.399
local terms energy: -200.861885
where:
bonds (distance) C4'-P energy: -40.400
bonds (distance) P-C4' energy: -43.593
flat angles C4'-P-C4' energy: -40.989
flat angles P-C4'-P energy: -22.086
tors. eta vs tors. theta energy: -53.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -613.174824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.174824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.174824 (E_RNA)
where:
Base-Base interactions energy: -406.724
where: short stacking energy: -178.224
Base-Backbone interact. energy: -0.060
local terms energy: -206.391030
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -44.308
flat angles C4'-P-C4' energy: -41.277
flat angles P-C4'-P energy: -27.386
tors. eta vs tors. theta energy: -58.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -565.096965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.096965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.096965 (E_RNA)
where:
Base-Base interactions energy: -375.023
where: short stacking energy: -166.618
Base-Backbone interact. energy: -0.715
local terms energy: -189.359579
where:
bonds (distance) C4'-P energy: -32.629
bonds (distance) P-C4' energy: -41.210
flat angles C4'-P-C4' energy: -40.414
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: -49.534
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: 310
Temperature: 1.100000
Total energy: -528.085227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.085227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.085227 (E_RNA)
where:
Base-Base interactions energy: -354.490
where: short stacking energy: -139.423
Base-Backbone interact. energy: -0.328
local terms energy: -173.267348
where:
bonds (distance) C4'-P energy: -34.019
bonds (distance) P-C4' energy: -39.857
flat angles C4'-P-C4' energy: -44.103
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -31.052
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: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -515.488381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.488381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.488381 (E_RNA)
where:
Base-Base interactions energy: -351.254
where: short stacking energy: -142.869
Base-Backbone interact. energy: 0.367
local terms energy: -164.600793
where:
bonds (distance) C4'-P energy: -33.234
bonds (distance) P-C4' energy: -37.728
flat angles C4'-P-C4' energy: -32.110
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -39.803
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: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -456.596803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.596803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.596803 (E_RNA)
where:
Base-Base interactions energy: -281.895
where: short stacking energy: -132.485
Base-Backbone interact. energy: 0.491
local terms energy: -175.192833
where:
bonds (distance) C4'-P energy: -35.798
bonds (distance) P-C4' energy: -38.062
flat angles C4'-P-C4' energy: -35.743
flat angles P-C4'-P energy: -27.793
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: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -357.902252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.902252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.902252 (E_RNA)
where:
Base-Base interactions energy: -217.724
where: short stacking energy: -115.424
Base-Backbone interact. energy: -0.019
local terms energy: -140.159656
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -36.244
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -262.689604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.689604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.689604 (E_RNA)
where:
Base-Base interactions energy: -142.685
where: short stacking energy: -72.436
Base-Backbone interact. energy: -0.361
local terms energy: -119.643401
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -27.938
flat angles C4'-P-C4' energy: -34.969
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -9.424
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: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -264.474128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.474128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.474128 (E_RNA)
where:
Base-Base interactions energy: -133.472
where: short stacking energy: -66.304
Base-Backbone interact. energy: -1.827
local terms energy: -129.175018
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -33.842
flat angles C4'-P-C4' energy: -34.570
flat angles P-C4'-P energy: -27.918
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: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -666.573746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.573746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.573746 (E_RNA)
where:
Base-Base interactions energy: -454.362
where: short stacking energy: -196.067
Base-Backbone interact. energy: -0.005
local terms energy: -212.206103
where:
bonds (distance) C4'-P energy: -35.117
bonds (distance) P-C4' energy: -37.186
flat angles C4'-P-C4' energy: -48.796
flat angles P-C4'-P energy: -29.113
tors. eta vs tors. theta energy: -61.993
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: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -627.069261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.069261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.069261 (E_RNA)
where:
Base-Base interactions energy: -418.322
where: short stacking energy: -193.934
Base-Backbone interact. energy: -0.310
local terms energy: -208.437500
where:
bonds (distance) C4'-P energy: -31.539
bonds (distance) P-C4' energy: -38.410
flat angles C4'-P-C4' energy: -49.185
flat angles P-C4'-P energy: -28.974
tors. eta vs tors. theta energy: -60.329
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: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -589.918365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.918365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.918365 (E_RNA)
where:
Base-Base interactions energy: -395.718
where: short stacking energy: -177.536
Base-Backbone interact. energy: -1.425
local terms energy: -192.775388
where:
bonds (distance) C4'-P energy: -38.083
bonds (distance) P-C4' energy: -35.715
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -49.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -557.305028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.305028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.305028 (E_RNA)
where:
Base-Base interactions energy: -372.706
where: short stacking energy: -160.749
Base-Backbone interact. energy: -0.434
local terms energy: -184.164636
where:
bonds (distance) C4'-P energy: -36.859
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -33.197
flat angles P-C4'-P energy: -28.163
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: 5, replica: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -540.531981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.531981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.531981 (E_RNA)
where:
Base-Base interactions energy: -372.318
where: short stacking energy: -161.929
Base-Backbone interact. energy: 0.220
local terms energy: -168.433515
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -37.469
flat angles P-C4'-P energy: -25.578
tors. eta vs tors. theta energy: -39.972
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: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -513.077868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.077868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.077868 (E_RNA)
where:
Base-Base interactions energy: -358.620
where: short stacking energy: -146.626
Base-Backbone interact. energy: -1.003
local terms energy: -153.455292
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -26.646
flat angles C4'-P-C4' energy: -34.828
flat angles P-C4'-P energy: -24.713
tors. eta vs tors. theta energy: -38.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -379.175631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.175631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.175631 (E_RNA)
where:
Base-Base interactions energy: -247.671
where: short stacking energy: -104.481
Base-Backbone interact. energy: 1.404
local terms energy: -132.908505
where:
bonds (distance) C4'-P energy: -39.044
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -27.571
flat angles P-C4'-P energy: -26.631
tors. eta vs tors. theta energy: -13.902
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: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -352.437600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.437600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.437600 (E_RNA)
where:
Base-Base interactions energy: -224.952
where: short stacking energy: -115.689
Base-Backbone interact. energy: 3.070
local terms energy: -130.556436
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -34.326
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -281.200971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.200971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.200971 (E_RNA)
where:
Base-Base interactions energy: -134.219
where: short stacking energy: -81.507
Base-Backbone interact. energy: -0.421
local terms energy: -146.560074
where:
bonds (distance) C4'-P energy: -39.777
bonds (distance) P-C4' energy: -37.355
flat angles C4'-P-C4' energy: -32.083
flat angles P-C4'-P energy: -24.620
tors. eta vs tors. theta energy: -12.726
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: 10, replica: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -258.482178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.482178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.482178 (E_RNA)
where:
Base-Base interactions energy: -139.696
where: short stacking energy: -82.867
Base-Backbone interact. energy: -0.116
local terms energy: -118.669750
where:
bonds (distance) C4'-P energy: -32.623
bonds (distance) P-C4' energy: -32.864
flat angles C4'-P-C4' energy: -27.431
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -675.464808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.464808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.464808 (E_RNA)
where:
Base-Base interactions energy: -463.582
where: short stacking energy: -194.379
Base-Backbone interact. energy: -0.372
local terms energy: -211.510769
where:
bonds (distance) C4'-P energy: -38.225
bonds (distance) P-C4' energy: -38.812
flat angles C4'-P-C4' energy: -43.825
flat angles P-C4'-P energy: -33.280
tors. eta vs tors. theta energy: -57.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -624.925279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.925279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.925279 (E_RNA)
where:
Base-Base interactions energy: -421.785
where: short stacking energy: -189.376
Base-Backbone interact. energy: -0.307
local terms energy: -202.833617
where:
bonds (distance) C4'-P energy: -41.719
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -45.462
flat angles P-C4'-P energy: -29.779
tors. eta vs tors. theta energy: -59.493
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: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -580.310313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.310313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.310313 (E_RNA)
where:
Base-Base interactions energy: -381.965
where: short stacking energy: -166.952
Base-Backbone interact. energy: -0.303
local terms energy: -198.042281
where:
bonds (distance) C4'-P energy: -35.421
bonds (distance) P-C4' energy: -35.212
flat angles C4'-P-C4' energy: -44.130
flat angles P-C4'-P energy: -26.118
tors. eta vs tors. theta energy: -57.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -579.314103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.314103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.314103 (E_RNA)
where:
Base-Base interactions energy: -389.208
where: short stacking energy: -163.079
Base-Backbone interact. energy: -0.908
local terms energy: -189.198404
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -39.060
flat angles C4'-P-C4' energy: -39.464
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: -47.231
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: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -523.362844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.362844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.362844 (E_RNA)
where:
Base-Base interactions energy: -356.398
where: short stacking energy: -139.528
Base-Backbone interact. energy: -0.674
local terms energy: -166.290992
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -39.104
flat angles P-C4'-P energy: -22.612
tors. eta vs tors. theta energy: -39.297
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: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -498.882921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.882921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.882921 (E_RNA)
where:
Base-Base interactions energy: -341.826
where: short stacking energy: -152.110
Base-Backbone interact. energy: 2.567
local terms energy: -159.623181
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -29.347
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -26.528
tors. eta vs tors. theta energy: -35.203
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: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -360.753738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.753738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.753738 (E_RNA)
where:
Base-Base interactions energy: -219.592
where: short stacking energy: -96.275
Base-Backbone interact. energy: -1.455
local terms energy: -139.706639
where:
bonds (distance) C4'-P energy: -30.450
bonds (distance) P-C4' energy: -39.989
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -24.894
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -331.241568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.241568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.241568 (E_RNA)
where:
Base-Base interactions energy: -191.157
where: short stacking energy: -89.780
Base-Backbone interact. energy: -0.826
local terms energy: -139.258768
where:
bonds (distance) C4'-P energy: -37.792
bonds (distance) P-C4' energy: -40.780
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: -8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -281.956932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.956932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.956932 (E_RNA)
where:
Base-Base interactions energy: -148.733
where: short stacking energy: -91.786
Base-Backbone interact. energy: -0.567
local terms energy: -132.656827
where:
bonds (distance) C4'-P energy: -31.869
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -29.914
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -252.830899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.830899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.830899 (E_RNA)
where:
Base-Base interactions energy: -124.135
where: short stacking energy: -57.500
Base-Backbone interact. energy: 1.881
local terms energy: -130.577025
where:
bonds (distance) C4'-P energy: -39.136
bonds (distance) P-C4' energy: -31.977
flat angles C4'-P-C4' energy: -32.997
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -680.665877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.665877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.665877 (E_RNA)
where:
Base-Base interactions energy: -453.003
where: short stacking energy: -196.906
Base-Backbone interact. energy: -0.014
local terms energy: -227.648836
where:
bonds (distance) C4'-P energy: -42.184
bonds (distance) P-C4' energy: -44.704
flat angles C4'-P-C4' energy: -46.431
flat angles P-C4'-P energy: -27.881
tors. eta vs tors. theta energy: -66.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -623.854504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.854504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.854504 (E_RNA)
where:
Base-Base interactions energy: -418.888
where: short stacking energy: -195.977
Base-Backbone interact. energy: 0.187
local terms energy: -205.153541
where:
bonds (distance) C4'-P energy: -38.480
bonds (distance) P-C4' energy: -40.572
flat angles C4'-P-C4' energy: -43.173
flat angles P-C4'-P energy: -27.438
tors. eta vs tors. theta energy: -55.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -601.976076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.976076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.976076 (E_RNA)
where:
Base-Base interactions energy: -390.762
where: short stacking energy: -182.811
Base-Backbone interact. energy: -0.494
local terms energy: -210.720063
where:
bonds (distance) C4'-P energy: -39.505
bonds (distance) P-C4' energy: -39.911
flat angles C4'-P-C4' energy: -45.558
flat angles P-C4'-P energy: -30.973
tors. eta vs tors. theta energy: -54.774
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: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -587.292149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.292149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.292149 (E_RNA)
where:
Base-Base interactions energy: -395.407
where: short stacking energy: -163.734
Base-Backbone interact. energy: -0.349
local terms energy: -191.536323
where:
bonds (distance) C4'-P energy: -36.223
bonds (distance) P-C4' energy: -37.726
flat angles C4'-P-C4' energy: -35.992
flat angles P-C4'-P energy: -28.646
tors. eta vs tors. theta energy: -52.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -546.660995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.660995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.660995 (E_RNA)
where:
Base-Base interactions energy: -372.427
where: short stacking energy: -153.264
Base-Backbone interact. energy: -1.510
local terms energy: -172.724555
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -41.842
flat angles C4'-P-C4' energy: -38.209
flat angles P-C4'-P energy: -31.739
tors. eta vs tors. theta energy: -37.913
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: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -504.551945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.551945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.551945 (E_RNA)
where:
Base-Base interactions energy: -334.624
where: short stacking energy: -140.574
Base-Backbone interact. energy: 1.174
local terms energy: -171.101938
where:
bonds (distance) C4'-P energy: -37.166
bonds (distance) P-C4' energy: -34.377
flat angles C4'-P-C4' energy: -37.448
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -37.409
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: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -373.537389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.537389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.537389 (E_RNA)
where:
Base-Base interactions energy: -223.812
where: short stacking energy: -90.279
Base-Backbone interact. energy: -1.603
local terms energy: -148.122436
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -39.040
flat angles C4'-P-C4' energy: -37.102
flat angles P-C4'-P energy: -21.776
tors. eta vs tors. theta energy: -15.975
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: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -330.128400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.128400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.128400 (E_RNA)
where:
Base-Base interactions energy: -212.158
where: short stacking energy: -102.698
Base-Backbone interact. energy: 1.643
local terms energy: -119.613339
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -32.682
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -26.158
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -266.721183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.721183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.721183 (E_RNA)
where:
Base-Base interactions energy: -141.094
where: short stacking energy: -77.966
Base-Backbone interact. energy: -0.614
local terms energy: -125.012625
where:
bonds (distance) C4'-P energy: -36.612
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -20.518
tors. eta vs tors. theta energy: -6.910
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: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -262.525682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.525682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.525682 (E_RNA)
where:
Base-Base interactions energy: -153.435
where: short stacking energy: -71.171
Base-Backbone interact. energy: -1.611
local terms energy: -107.479752
where:
bonds (distance) C4'-P energy: -33.669
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -19.419
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: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -673.608675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.608675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.608675 (E_RNA)
where:
Base-Base interactions energy: -473.685
where: short stacking energy: -212.125
Base-Backbone interact. energy: -0.372
local terms energy: -199.551068
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -38.002
flat angles C4'-P-C4' energy: -39.430
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: -61.105
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: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -621.954697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.954697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.954697 (E_RNA)
where:
Base-Base interactions energy: -406.289
where: short stacking energy: -197.424
Base-Backbone interact. energy: 0.158
local terms energy: -215.823286
where:
bonds (distance) C4'-P energy: -41.310
bonds (distance) P-C4' energy: -37.790
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -37.090
tors. eta vs tors. theta energy: -57.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -600.293256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.293256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.293256 (E_RNA)
where:
Base-Base interactions energy: -411.363
where: short stacking energy: -178.849
Base-Backbone interact. energy: -0.116
local terms energy: -188.814158
where:
bonds (distance) C4'-P energy: -39.119
bonds (distance) P-C4' energy: -40.280
flat angles C4'-P-C4' energy: -31.501
flat angles P-C4'-P energy: -28.973
tors. eta vs tors. theta energy: -48.942
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: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -543.896888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.896888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.896888 (E_RNA)
where:
Base-Base interactions energy: -369.784
where: short stacking energy: -161.160
Base-Backbone interact. energy: -0.164
local terms energy: -173.948926
where:
bonds (distance) C4'-P energy: -34.375
bonds (distance) P-C4' energy: -31.446
flat angles C4'-P-C4' energy: -38.186
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: -46.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -551.120446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.120446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.120446 (E_RNA)
where:
Base-Base interactions energy: -367.619
where: short stacking energy: -163.663
Base-Backbone interact. energy: -0.256
local terms energy: -183.244953
where:
bonds (distance) C4'-P energy: -37.763
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -37.924
flat angles P-C4'-P energy: -25.409
tors. eta vs tors. theta energy: -44.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -527.901382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.901382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.901382 (E_RNA)
where:
Base-Base interactions energy: -369.750
where: short stacking energy: -155.567
Base-Backbone interact. energy: -1.603
local terms energy: -156.548050
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: -39.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -410.085195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.085195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.085195 (E_RNA)
where:
Base-Base interactions energy: -258.201
where: short stacking energy: -110.716
Base-Backbone interact. energy: -0.462
local terms energy: -151.422275
where:
bonds (distance) C4'-P energy: -31.409
bonds (distance) P-C4' energy: -33.989
flat angles C4'-P-C4' energy: -41.711
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -21.348
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: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -357.647673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.647673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.647673 (E_RNA)
where:
Base-Base interactions energy: -203.485
where: short stacking energy: -96.611
Base-Backbone interact. energy: -0.275
local terms energy: -153.887977
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -41.414
flat angles C4'-P-C4' energy: -36.051
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: -21.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -259.949429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.949429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.949429 (E_RNA)
where:
Base-Base interactions energy: -133.370
where: short stacking energy: -68.124
Base-Backbone interact. energy: 3.850
local terms energy: -130.429323
where:
bonds (distance) C4'-P energy: -33.518
bonds (distance) P-C4' energy: -38.696
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -20.107
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: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -261.434739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.434739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.434739 (E_RNA)
where:
Base-Base interactions energy: -130.090
where: short stacking energy: -69.598
Base-Backbone interact. energy: -0.266
local terms energy: -131.078614
where:
bonds (distance) C4'-P energy: -30.536
bonds (distance) P-C4' energy: -38.450
flat angles C4'-P-C4' energy: -37.680
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -12.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -681.862847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.862847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.862847 (E_RNA)
where:
Base-Base interactions energy: -452.901
where: short stacking energy: -202.606
Base-Backbone interact. energy: -0.184
local terms energy: -228.778538
where:
bonds (distance) C4'-P energy: -39.626
bonds (distance) P-C4' energy: -45.815
flat angles C4'-P-C4' energy: -44.860
flat angles P-C4'-P energy: -36.170
tors. eta vs tors. theta energy: -62.307
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: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -632.649436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.649436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.649436 (E_RNA)
where:
Base-Base interactions energy: -424.678
where: short stacking energy: -201.871
Base-Backbone interact. energy: -0.047
local terms energy: -207.923859
where:
bonds (distance) C4'-P energy: -42.618
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -45.560
flat angles P-C4'-P energy: -21.863
tors. eta vs tors. theta energy: -63.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -597.878440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.878440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.878440 (E_RNA)
where:
Base-Base interactions energy: -408.064
where: short stacking energy: -167.983
Base-Backbone interact. energy: -0.097
local terms energy: -189.717780
where:
bonds (distance) C4'-P energy: -35.452
bonds (distance) P-C4' energy: -40.099
flat angles C4'-P-C4' energy: -40.907
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -48.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -544.544225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.544225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.544225 (E_RNA)
where:
Base-Base interactions energy: -363.635
where: short stacking energy: -155.568
Base-Backbone interact. energy: -1.010
local terms energy: -179.899220
where:
bonds (distance) C4'-P energy: -37.478
bonds (distance) P-C4' energy: -36.770
flat angles C4'-P-C4' energy: -33.509
flat angles P-C4'-P energy: -26.866
tors. eta vs tors. theta energy: -45.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -527.047138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.047138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.047138 (E_RNA)
where:
Base-Base interactions energy: -353.431
where: short stacking energy: -132.787
Base-Backbone interact. energy: -1.277
local terms energy: -172.339528
where:
bonds (distance) C4'-P energy: -44.631
bonds (distance) P-C4' energy: -40.132
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -27.020
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: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -512.426971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.426971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.426971 (E_RNA)
where:
Base-Base interactions energy: -351.464
where: short stacking energy: -144.182
Base-Backbone interact. energy: -1.400
local terms energy: -159.562852
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -39.917
flat angles C4'-P-C4' energy: -37.064
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -37.184
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: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -407.981744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.981744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.981744 (E_RNA)
where:
Base-Base interactions energy: -250.701
where: short stacking energy: -126.192
Base-Backbone interact. energy: -0.486
local terms energy: -156.794937
where:
bonds (distance) C4'-P energy: -23.026
bonds (distance) P-C4' energy: -36.598
flat angles C4'-P-C4' energy: -41.318
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -32.728
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: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -346.407572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.407572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.407572 (E_RNA)
where:
Base-Base interactions energy: -224.660
where: short stacking energy: -92.326
Base-Backbone interact. energy: -0.565
local terms energy: -121.183012
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -32.335
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -9.524
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: 9, replica: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -262.554733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.554733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.554733 (E_RNA)
where:
Base-Base interactions energy: -131.132
where: short stacking energy: -71.245
Base-Backbone interact. energy: -1.199
local terms energy: -130.224155
where:
bonds (distance) C4'-P energy: -31.319
bonds (distance) P-C4' energy: -42.738
flat angles C4'-P-C4' energy: -26.629
flat angles P-C4'-P energy: -21.523
tors. eta vs tors. theta energy: -8.015
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: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -253.945754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.945754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.945754 (E_RNA)
where:
Base-Base interactions energy: -132.706
where: short stacking energy: -76.474
Base-Backbone interact. energy: -0.679
local terms energy: -120.560162
where:
bonds (distance) C4'-P energy: -34.315
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -27.926
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -691.189879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.189879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.189879 (E_RNA)
where:
Base-Base interactions energy: -464.710
where: short stacking energy: -209.406
Base-Backbone interact. energy: 0.089
local terms energy: -226.568608
where:
bonds (distance) C4'-P energy: -41.932
bonds (distance) P-C4' energy: -37.736
flat angles C4'-P-C4' energy: -45.654
flat angles P-C4'-P energy: -34.492
tors. eta vs tors. theta energy: -66.754
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: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -633.432139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.432139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.432139 (E_RNA)
where:
Base-Base interactions energy: -420.125
where: short stacking energy: -190.608
Base-Backbone interact. energy: -0.722
local terms energy: -212.585563
where:
bonds (distance) C4'-P energy: -42.345
bonds (distance) P-C4' energy: -39.131
flat angles C4'-P-C4' energy: -48.200
flat angles P-C4'-P energy: -24.849
tors. eta vs tors. theta energy: -58.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -607.958696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.958696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.958696 (E_RNA)
where:
Base-Base interactions energy: -402.697
where: short stacking energy: -187.246
Base-Backbone interact. energy: -0.068
local terms energy: -205.193185
where:
bonds (distance) C4'-P energy: -37.867
bonds (distance) P-C4' energy: -36.868
flat angles C4'-P-C4' energy: -47.019
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -52.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -555.159069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.159069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.159069 (E_RNA)
where:
Base-Base interactions energy: -370.255
where: short stacking energy: -165.980
Base-Backbone interact. energy: -0.405
local terms energy: -184.499593
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -40.209
flat angles C4'-P-C4' energy: -39.255
flat angles P-C4'-P energy: -25.932
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: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -526.125872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.125872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.125872 (E_RNA)
where:
Base-Base interactions energy: -358.042
where: short stacking energy: -141.855
Base-Backbone interact. energy: -0.073
local terms energy: -168.010858
where:
bonds (distance) C4'-P energy: -38.832
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -34.067
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: -36.857
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: 316
Temperature: 1.150000
Total energy: -475.015886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.015886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.015886 (E_RNA)
where:
Base-Base interactions energy: -301.595
where: short stacking energy: -132.033
Base-Backbone interact. energy: 3.246
local terms energy: -176.666581
where:
bonds (distance) C4'-P energy: -39.478
bonds (distance) P-C4' energy: -40.191
flat angles C4'-P-C4' energy: -40.516
flat angles P-C4'-P energy: -25.916
tors. eta vs tors. theta energy: -30.565
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: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -416.477677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.477677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.477677 (E_RNA)
where:
Base-Base interactions energy: -253.325
where: short stacking energy: -97.999
Base-Backbone interact. energy: -0.975
local terms energy: -162.177303
where:
bonds (distance) C4'-P energy: -37.733
bonds (distance) P-C4' energy: -38.297
flat angles C4'-P-C4' energy: -38.497
flat angles P-C4'-P energy: -25.316
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -334.190693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.190693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.190693 (E_RNA)
where:
Base-Base interactions energy: -213.680
where: short stacking energy: -111.128
Base-Backbone interact. energy: -0.608
local terms energy: -119.903031
where:
bonds (distance) C4'-P energy: -32.332
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -29.520
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -263.411602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.411602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.411602 (E_RNA)
where:
Base-Base interactions energy: -149.667
where: short stacking energy: -99.076
Base-Backbone interact. energy: -0.144
local terms energy: -113.600276
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -36.914
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -13.177
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: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -246.000412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.000412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.000412 (E_RNA)
where:
Base-Base interactions energy: -130.564
where: short stacking energy: -74.984
Base-Backbone interact. energy: -1.740
local terms energy: -113.695742
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -26.445
flat angles C4'-P-C4' energy: -30.250
flat angles P-C4'-P energy: -17.601
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: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -673.538613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.538613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.538613 (E_RNA)
where:
Base-Base interactions energy: -454.739
where: short stacking energy: -206.403
Base-Backbone interact. energy: 0.456
local terms energy: -219.255593
where:
bonds (distance) C4'-P energy: -37.642
bonds (distance) P-C4' energy: -35.280
flat angles C4'-P-C4' energy: -49.287
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -64.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -610.549183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.549183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.549183 (E_RNA)
where:
Base-Base interactions energy: -410.020
where: short stacking energy: -195.544
Base-Backbone interact. energy: -0.668
local terms energy: -199.860406
where:
bonds (distance) C4'-P energy: -33.990
bonds (distance) P-C4' energy: -40.887
flat angles C4'-P-C4' energy: -41.932
flat angles P-C4'-P energy: -26.121
tors. eta vs tors. theta energy: -56.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -608.735880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.735880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.735880 (E_RNA)
where:
Base-Base interactions energy: -408.779
where: short stacking energy: -180.104
Base-Backbone interact. energy: -0.641
local terms energy: -199.315005
where:
bonds (distance) C4'-P energy: -36.819
bonds (distance) P-C4' energy: -39.428
flat angles C4'-P-C4' energy: -43.599
flat angles P-C4'-P energy: -26.959
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: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -568.414001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.414001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.414001 (E_RNA)
where:
Base-Base interactions energy: -378.829
where: short stacking energy: -171.547
Base-Backbone interact. energy: -0.593
local terms energy: -188.991869
where:
bonds (distance) C4'-P energy: -35.468
bonds (distance) P-C4' energy: -41.827
flat angles C4'-P-C4' energy: -40.984
flat angles P-C4'-P energy: -25.833
tors. eta vs tors. theta energy: -44.879
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: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -552.457495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.457495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.457495 (E_RNA)
where:
Base-Base interactions energy: -379.869
where: short stacking energy: -159.142
Base-Backbone interact. energy: 2.033
local terms energy: -174.621499
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -40.469
flat angles P-C4'-P energy: -26.329
tors. eta vs tors. theta energy: -38.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -486.036746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.036746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.036746 (E_RNA)
where:
Base-Base interactions energy: -304.008
where: short stacking energy: -148.105
Base-Backbone interact. energy: -0.410
local terms energy: -181.618662
where:
bonds (distance) C4'-P energy: -36.766
bonds (distance) P-C4' energy: -38.684
flat angles C4'-P-C4' energy: -42.277
flat angles P-C4'-P energy: -23.479
tors. eta vs tors. theta energy: -40.413
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: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -430.536420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.536420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.536420 (E_RNA)
where:
Base-Base interactions energy: -274.047
where: short stacking energy: -120.969
Base-Backbone interact. energy: -0.588
local terms energy: -155.901154
where:
bonds (distance) C4'-P energy: -33.810
bonds (distance) P-C4' energy: -41.427
flat angles C4'-P-C4' energy: -29.615
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -30.234
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: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -357.967938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.967938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.967938 (E_RNA)
where:
Base-Base interactions energy: -212.462
where: short stacking energy: -97.755
Base-Backbone interact. energy: 2.675
local terms energy: -148.180774
where:
bonds (distance) C4'-P energy: -35.377
bonds (distance) P-C4' energy: -35.346
flat angles C4'-P-C4' energy: -37.274
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -20.855
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: 9, replica: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -261.954511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.954511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.954511 (E_RNA)
where:
Base-Base interactions energy: -140.039
where: short stacking energy: -86.339
Base-Backbone interact. energy: -0.795
local terms energy: -121.120358
where:
bonds (distance) C4'-P energy: -24.536
bonds (distance) P-C4' energy: -37.823
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -27.840
tors. eta vs tors. theta energy: -9.922
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: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -256.369932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.369932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.369932 (E_RNA)
where:
Base-Base interactions energy: -125.669
where: short stacking energy: -64.850
Base-Backbone interact. energy: 2.537
local terms energy: -133.237272
where:
bonds (distance) C4'-P energy: -35.014
bonds (distance) P-C4' energy: -43.189
flat angles C4'-P-C4' energy: -27.264
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: 2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -673.507182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.507182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.507182 (E_RNA)
where:
Base-Base interactions energy: -463.619
where: short stacking energy: -207.595
Base-Backbone interact. energy: -0.119
local terms energy: -209.768977
where:
bonds (distance) C4'-P energy: -38.400
bonds (distance) P-C4' energy: -36.486
flat angles C4'-P-C4' energy: -42.753
flat angles P-C4'-P energy: -28.117
tors. eta vs tors. theta energy: -64.013
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: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -607.319684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.319684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.319684 (E_RNA)
where:
Base-Base interactions energy: -412.150
where: short stacking energy: -200.036
Base-Backbone interact. energy: -0.677
local terms energy: -194.492498
where:
bonds (distance) C4'-P energy: -35.614
bonds (distance) P-C4' energy: -34.162
flat angles C4'-P-C4' energy: -40.300
flat angles P-C4'-P energy: -25.704
tors. eta vs tors. theta energy: -58.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -614.566633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.566633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.566633 (E_RNA)
where:
Base-Base interactions energy: -414.296
where: short stacking energy: -186.767
Base-Backbone interact. energy: 0.973
local terms energy: -201.243699
where:
bonds (distance) C4'-P energy: -37.312
bonds (distance) P-C4' energy: -33.869
flat angles C4'-P-C4' energy: -45.157
flat angles P-C4'-P energy: -26.543
tors. eta vs tors. theta energy: -58.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -573.070103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.070103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.070103 (E_RNA)
where:
Base-Base interactions energy: -374.921
where: short stacking energy: -166.384
Base-Backbone interact. energy: -0.689
local terms energy: -197.460159
where:
bonds (distance) C4'-P energy: -39.367
bonds (distance) P-C4' energy: -43.568
flat angles C4'-P-C4' energy: -36.926
flat angles P-C4'-P energy: -27.983
tors. eta vs tors. theta energy: -49.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -574.997045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.997045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.997045 (E_RNA)
where:
Base-Base interactions energy: -396.332
where: short stacking energy: -166.439
Base-Backbone interact. energy: -0.652
local terms energy: -178.013191
where:
bonds (distance) C4'-P energy: -36.857
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -35.001
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -47.205
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: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -496.430630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.430630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.430630 (E_RNA)
where:
Base-Base interactions energy: -328.841
where: short stacking energy: -159.381
Base-Backbone interact. energy: -0.529
local terms energy: -167.060299
where:
bonds (distance) C4'-P energy: -24.397
bonds (distance) P-C4' energy: -35.075
flat angles C4'-P-C4' energy: -34.203
flat angles P-C4'-P energy: -26.961
tors. eta vs tors. theta energy: -46.424
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: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -452.607357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.607357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.607357 (E_RNA)
where:
Base-Base interactions energy: -286.236
where: short stacking energy: -138.261
Base-Backbone interact. energy: -0.456
local terms energy: -165.915296
where:
bonds (distance) C4'-P energy: -29.873
bonds (distance) P-C4' energy: -34.911
flat angles C4'-P-C4' energy: -38.874
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -40.482
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: 318
Temperature: 1.250000
Total energy: -336.492892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.492892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.492892 (E_RNA)
where:
Base-Base interactions energy: -195.064
where: short stacking energy: -108.956
Base-Backbone interact. energy: -0.424
local terms energy: -141.004139
where:
bonds (distance) C4'-P energy: -33.202
bonds (distance) P-C4' energy: -36.742
flat angles C4'-P-C4' energy: -31.344
flat angles P-C4'-P energy: -22.918
tors. eta vs tors. theta energy: -16.798
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: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -266.962023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.962023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.962023 (E_RNA)
where:
Base-Base interactions energy: -165.058
where: short stacking energy: -69.688
Base-Backbone interact. energy: -0.561
local terms energy: -101.342580
where:
bonds (distance) C4'-P energy: -25.140
bonds (distance) P-C4' energy: -32.102
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -261.702367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.702367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.702367 (E_RNA)
where:
Base-Base interactions energy: -141.248
where: short stacking energy: -77.204
Base-Backbone interact. energy: 0.242
local terms energy: -120.696044
where:
bonds (distance) C4'-P energy: -36.899
bonds (distance) P-C4' energy: -39.690
flat angles C4'-P-C4' energy: -26.194
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -1.741
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: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -677.250697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.250697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.250697 (E_RNA)
where:
Base-Base interactions energy: -455.594
where: short stacking energy: -211.425
Base-Backbone interact. energy: -0.141
local terms energy: -221.515631
where:
bonds (distance) C4'-P energy: -39.324
bonds (distance) P-C4' energy: -40.547
flat angles C4'-P-C4' energy: -47.047
flat angles P-C4'-P energy: -30.359
tors. eta vs tors. theta energy: -64.239
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: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -617.580634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.580634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.580634 (E_RNA)
where:
Base-Base interactions energy: -406.959
where: short stacking energy: -199.272
Base-Backbone interact. energy: -0.578
local terms energy: -210.042757
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -38.399
flat angles C4'-P-C4' energy: -43.776
flat angles P-C4'-P energy: -31.408
tors. eta vs tors. theta energy: -63.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -600.206672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.206672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.206672 (E_RNA)
where:
Base-Base interactions energy: -413.949
where: short stacking energy: -186.991
Base-Backbone interact. energy: 2.037
local terms energy: -188.295192
where:
bonds (distance) C4'-P energy: -36.654
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -39.156
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -56.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -591.586661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.586661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.586661 (E_RNA)
where:
Base-Base interactions energy: -394.737
where: short stacking energy: -171.412
Base-Backbone interact. energy: -0.924
local terms energy: -195.925722
where:
bonds (distance) C4'-P energy: -40.901
bonds (distance) P-C4' energy: -41.896
flat angles C4'-P-C4' energy: -47.427
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -42.616
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: 319
Temperature: 1.100000
Total energy: -545.835861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.835861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.835861 (E_RNA)
where:
Base-Base interactions energy: -363.719
where: short stacking energy: -155.336
Base-Backbone interact. energy: 4.047
local terms energy: -186.163907
where:
bonds (distance) C4'-P energy: -32.539
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -40.319
flat angles P-C4'-P energy: -26.780
tors. eta vs tors. theta energy: -47.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -490.503892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.503892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.503892 (E_RNA)
where:
Base-Base interactions energy: -318.828
where: short stacking energy: -152.644
Base-Backbone interact. energy: -0.231
local terms energy: -171.445516
where:
bonds (distance) C4'-P energy: -34.142
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -33.178
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: -45.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -426.183808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.183808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.183808 (E_RNA)
where:
Base-Base interactions energy: -270.277
where: short stacking energy: -126.158
Base-Backbone interact. energy: -0.803
local terms energy: -155.103788
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -40.587
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -27.714
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: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -360.256026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.256026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.256026 (E_RNA)
where:
Base-Base interactions energy: -212.432
where: short stacking energy: -92.584
Base-Backbone interact. energy: 0.712
local terms energy: -148.536062
where:
bonds (distance) C4'-P energy: -38.682
bonds (distance) P-C4' energy: -42.550
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -262.251290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.251290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.251290 (E_RNA)
where:
Base-Base interactions energy: -130.305
where: short stacking energy: -72.119
Base-Backbone interact. energy: 0.055
local terms energy: -132.000410
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -40.113
flat angles C4'-P-C4' energy: -25.922
flat angles P-C4'-P energy: -26.271
tors. eta vs tors. theta energy: -8.785
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: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -249.580190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.580190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.580190 (E_RNA)
where:
Base-Base interactions energy: -140.354
where: short stacking energy: -68.237
Base-Backbone interact. energy: 0.893
local terms energy: -110.119455
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -33.501
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -5.157
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: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -682.480701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.480701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.480701 (E_RNA)
where:
Base-Base interactions energy: -462.294
where: short stacking energy: -206.854
Base-Backbone interact. energy: -0.362
local terms energy: -219.825417
where:
bonds (distance) C4'-P energy: -38.597
bonds (distance) P-C4' energy: -40.500
flat angles C4'-P-C4' energy: -46.969
flat angles P-C4'-P energy: -32.438
tors. eta vs tors. theta energy: -61.321
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: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -619.343115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.343115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.343115 (E_RNA)
where:
Base-Base interactions energy: -411.162
where: short stacking energy: -186.569
Base-Backbone interact. energy: -0.033
local terms energy: -208.148173
where:
bonds (distance) C4'-P energy: -42.410
bonds (distance) P-C4' energy: -36.869
flat angles C4'-P-C4' energy: -43.348
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: -58.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -589.747928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.747928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.747928 (E_RNA)
where:
Base-Base interactions energy: -412.191
where: short stacking energy: -168.148
Base-Backbone interact. energy: -0.200
local terms energy: -177.357068
where:
bonds (distance) C4'-P energy: -37.336
bonds (distance) P-C4' energy: -38.125
flat angles C4'-P-C4' energy: -33.219
flat angles P-C4'-P energy: -28.695
tors. eta vs tors. theta energy: -39.983
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: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -594.544525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.544525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.544525 (E_RNA)
where:
Base-Base interactions energy: -407.865
where: short stacking energy: -180.453
Base-Backbone interact. energy: -0.562
local terms energy: -186.117480
where:
bonds (distance) C4'-P energy: -39.821
bonds (distance) P-C4' energy: -38.753
flat angles C4'-P-C4' energy: -35.308
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -49.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -514.314569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.314569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.314569 (E_RNA)
where:
Base-Base interactions energy: -348.800
where: short stacking energy: -133.678
Base-Backbone interact. energy: -1.748
local terms energy: -163.766687
where:
bonds (distance) C4'-P energy: -31.624
bonds (distance) P-C4' energy: -34.677
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -23.296
tors. eta vs tors. theta energy: -34.818
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: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -471.523321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.523321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.523321 (E_RNA)
where:
Base-Base interactions energy: -304.672
where: short stacking energy: -152.012
Base-Backbone interact. energy: -0.565
local terms energy: -166.285679
where:
bonds (distance) C4'-P energy: -31.632
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -37.265
flat angles P-C4'-P energy: -23.296
tors. eta vs tors. theta energy: -34.071
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: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -398.229408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.229408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.229408 (E_RNA)
where:
Base-Base interactions energy: -252.961
where: short stacking energy: -112.802
Base-Backbone interact. energy: 0.822
local terms energy: -146.089666
where:
bonds (distance) C4'-P energy: -29.601
bonds (distance) P-C4' energy: -39.292
flat angles C4'-P-C4' energy: -31.695
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -23.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -343.512113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.512113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.512113 (E_RNA)
where:
Base-Base interactions energy: -191.571
where: short stacking energy: -88.878
Base-Backbone interact. energy: -0.657
local terms energy: -151.284676
where:
bonds (distance) C4'-P energy: -37.240
bonds (distance) P-C4' energy: -34.545
flat angles C4'-P-C4' energy: -35.713
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -275.142425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.142425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.142425 (E_RNA)
where:
Base-Base interactions energy: -152.794
where: short stacking energy: -61.204
Base-Backbone interact. energy: 0.350
local terms energy: -122.698445
where:
bonds (distance) C4'-P energy: -35.984
bonds (distance) P-C4' energy: -35.049
flat angles C4'-P-C4' energy: -31.450
flat angles P-C4'-P energy: -18.071
tors. eta vs tors. theta energy: -2.144
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: 10, replica: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -258.171783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.171783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.171783 (E_RNA)
where:
Base-Base interactions energy: -137.670
where: short stacking energy: -65.389
Base-Backbone interact. energy: -1.136
local terms energy: -119.365917
where:
bonds (distance) C4'-P energy: -40.127
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -29.454
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -653.728218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.728218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.728218 (E_RNA)
where:
Base-Base interactions energy: -459.951
where: short stacking energy: -200.044
Base-Backbone interact. energy: -0.857
local terms energy: -192.920591
where:
bonds (distance) C4'-P energy: -32.704
bonds (distance) P-C4' energy: -35.439
flat angles C4'-P-C4' energy: -45.206
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -60.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -615.934602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.934602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.934602 (E_RNA)
where:
Base-Base interactions energy: -416.077
where: short stacking energy: -204.840
Base-Backbone interact. energy: -0.050
local terms energy: -199.807068
where:
bonds (distance) C4'-P energy: -34.040
bonds (distance) P-C4' energy: -43.234
flat angles C4'-P-C4' energy: -37.656
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -60.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -612.634570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.634570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.634570 (E_RNA)
where:
Base-Base interactions energy: -430.680
where: short stacking energy: -183.575
Base-Backbone interact. energy: 0.171
local terms energy: -182.125550
where:
bonds (distance) C4'-P energy: -32.480
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -38.630
flat angles P-C4'-P energy: -27.676
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: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -556.350077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.350077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.350077 (E_RNA)
where:
Base-Base interactions energy: -351.154
where: short stacking energy: -163.079
Base-Backbone interact. energy: -0.343
local terms energy: -204.853768
where:
bonds (distance) C4'-P energy: -40.647
bonds (distance) P-C4' energy: -38.977
flat angles C4'-P-C4' energy: -43.323
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -49.511
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: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -590.076132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.076132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.076132 (E_RNA)
where:
Base-Base interactions energy: -416.574
where: short stacking energy: -170.010
Base-Backbone interact. energy: 0.074
local terms energy: -173.575464
where:
bonds (distance) C4'-P energy: -35.931
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -39.839
flat angles P-C4'-P energy: -27.213
tors. eta vs tors. theta energy: -44.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -467.567482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.567482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.567482 (E_RNA)
where:
Base-Base interactions energy: -288.394
where: short stacking energy: -131.608
Base-Backbone interact. energy: -0.723
local terms energy: -178.450159
where:
bonds (distance) C4'-P energy: -35.507
bonds (distance) P-C4' energy: -39.014
flat angles C4'-P-C4' energy: -39.768
flat angles P-C4'-P energy: -31.270
tors. eta vs tors. theta energy: -32.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -384.559947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.559947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.559947 (E_RNA)
where:
Base-Base interactions energy: -241.609
where: short stacking energy: -114.056
Base-Backbone interact. energy: 0.569
local terms energy: -143.520142
where:
bonds (distance) C4'-P energy: -28.750
bonds (distance) P-C4' energy: -33.111
flat angles C4'-P-C4' energy: -36.553
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -28.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -367.433292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.433292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.433292 (E_RNA)
where:
Base-Base interactions energy: -229.972
where: short stacking energy: -106.004
Base-Backbone interact. energy: -2.000
local terms energy: -135.460455
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -37.658
flat angles C4'-P-C4' energy: -33.115
flat angles P-C4'-P energy: -22.439
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -263.752920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.752920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.752920 (E_RNA)
where:
Base-Base interactions energy: -158.567
where: short stacking energy: -63.721
Base-Backbone interact. energy: 0.181
local terms energy: -105.366913
where:
bonds (distance) C4'-P energy: -26.105
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -32.366
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -5.571
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: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -253.448342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.448342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.448342 (E_RNA)
where:
Base-Base interactions energy: -132.210
where: short stacking energy: -62.324
Base-Backbone interact. energy: 3.071
local terms energy: -124.309209
where:
bonds (distance) C4'-P energy: -36.270
bonds (distance) P-C4' energy: -35.113
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -676.566587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.566587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.566587 (E_RNA)
where:
Base-Base interactions energy: -453.121
where: short stacking energy: -201.340
Base-Backbone interact. energy: -0.602
local terms energy: -222.843536
where:
bonds (distance) C4'-P energy: -37.333
bonds (distance) P-C4' energy: -44.781
flat angles C4'-P-C4' energy: -49.062
flat angles P-C4'-P energy: -26.477
tors. eta vs tors. theta energy: -65.190
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: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -612.164955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.164955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.164955 (E_RNA)
where:
Base-Base interactions energy: -420.806
where: short stacking energy: -187.125
Base-Backbone interact. energy: -0.054
local terms energy: -191.305015
where:
bonds (distance) C4'-P energy: -33.811
bonds (distance) P-C4' energy: -39.150
flat angles C4'-P-C4' energy: -40.748
flat angles P-C4'-P energy: -22.435
tors. eta vs tors. theta energy: -55.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -592.224440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.224440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.224440 (E_RNA)
where:
Base-Base interactions energy: -403.261
where: short stacking energy: -171.870
Base-Backbone interact. energy: -0.673
local terms energy: -188.290794
where:
bonds (distance) C4'-P energy: -37.852
bonds (distance) P-C4' energy: -36.035
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -41.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -521.010362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.010362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.010362 (E_RNA)
where:
Base-Base interactions energy: -344.054
where: short stacking energy: -151.934
Base-Backbone interact. energy: -1.107
local terms energy: -175.849277
where:
bonds (distance) C4'-P energy: -38.545
bonds (distance) P-C4' energy: -35.457
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -43.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -554.675556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.675556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.675556 (E_RNA)
where:
Base-Base interactions energy: -372.415
where: short stacking energy: -157.033
Base-Backbone interact. energy: -0.272
local terms energy: -181.988213
where:
bonds (distance) C4'-P energy: -37.511
bonds (distance) P-C4' energy: -42.020
flat angles C4'-P-C4' energy: -37.995
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -45.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -468.041673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.041673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.041673 (E_RNA)
where:
Base-Base interactions energy: -301.762
where: short stacking energy: -125.297
Base-Backbone interact. energy: 1.310
local terms energy: -167.589504
where:
bonds (distance) C4'-P energy: -29.194
bonds (distance) P-C4' energy: -39.628
flat angles C4'-P-C4' energy: -38.813
flat angles P-C4'-P energy: -28.460
tors. eta vs tors. theta energy: -31.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -394.090265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.090265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.090265 (E_RNA)
where:
Base-Base interactions energy: -238.852
where: short stacking energy: -104.593
Base-Backbone interact. energy: -0.461
local terms energy: -154.777648
where:
bonds (distance) C4'-P energy: -33.311
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -31.457
flat angles P-C4'-P energy: -31.865
tors. eta vs tors. theta energy: -31.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -335.879171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.879171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.879171 (E_RNA)
where:
Base-Base interactions energy: -215.687
where: short stacking energy: -93.061
Base-Backbone interact. energy: -1.241
local terms energy: -118.951818
where:
bonds (distance) C4'-P energy: -30.474
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -29.006
tors. eta vs tors. theta energy: -10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -276.665000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.665000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.665000 (E_RNA)
where:
Base-Base interactions energy: -153.186
where: short stacking energy: -86.278
Base-Backbone interact. energy: -0.212
local terms energy: -123.267836
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -36.102
flat angles C4'-P-C4' energy: -33.757
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -261.137551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.137551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.137551 (E_RNA)
where:
Base-Base interactions energy: -138.559
where: short stacking energy: -83.134
Base-Backbone interact. energy: 0.627
local terms energy: -123.205283
where:
bonds (distance) C4'-P energy: -29.798
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -22.622
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -679.519761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.519761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.519761 (E_RNA)
where:
Base-Base interactions energy: -475.722
where: short stacking energy: -209.551
Base-Backbone interact. energy: -0.057
local terms energy: -203.741251
where:
bonds (distance) C4'-P energy: -32.224
bonds (distance) P-C4' energy: -38.355
flat angles C4'-P-C4' energy: -44.261
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -64.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -618.247233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.247233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.247233 (E_RNA)
where:
Base-Base interactions energy: -430.454
where: short stacking energy: -188.423
Base-Backbone interact. energy: -0.017
local terms energy: -187.776869
where:
bonds (distance) C4'-P energy: -39.829
bonds (distance) P-C4' energy: -42.075
flat angles C4'-P-C4' energy: -40.701
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -44.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -616.348131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.348131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.348131 (E_RNA)
where:
Base-Base interactions energy: -421.009
where: short stacking energy: -201.636
Base-Backbone interact. energy: -0.307
local terms energy: -195.031722
where:
bonds (distance) C4'-P energy: -32.851
bonds (distance) P-C4' energy: -42.387
flat angles C4'-P-C4' energy: -39.032
flat angles P-C4'-P energy: -22.995
tors. eta vs tors. theta energy: -57.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -559.110201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.110201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.110201 (E_RNA)
where:
Base-Base interactions energy: -376.590
where: short stacking energy: -153.087
Base-Backbone interact. energy: 2.989
local terms energy: -185.509521
where:
bonds (distance) C4'-P energy: -32.648
bonds (distance) P-C4' energy: -37.896
flat angles C4'-P-C4' energy: -39.951
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: -47.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -490.503292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.503292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.503292 (E_RNA)
where:
Base-Base interactions energy: -315.980
where: short stacking energy: -136.094
Base-Backbone interact. energy: -1.149
local terms energy: -173.374099
where:
bonds (distance) C4'-P energy: -32.671
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -44.532
flat angles P-C4'-P energy: -26.513
tors. eta vs tors. theta energy: -36.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -495.092131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.092131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.092131 (E_RNA)
where:
Base-Base interactions energy: -318.419
where: short stacking energy: -141.552
Base-Backbone interact. energy: -0.228
local terms energy: -176.444801
where:
bonds (distance) C4'-P energy: -42.568
bonds (distance) P-C4' energy: -42.364
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -26.217
tors. eta vs tors. theta energy: -33.508
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: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -405.022322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.022322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.022322 (E_RNA)
where:
Base-Base interactions energy: -259.878
where: short stacking energy: -129.027
Base-Backbone interact. energy: -0.290
local terms energy: -144.854018
where:
bonds (distance) C4'-P energy: -28.258
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -34.785
flat angles P-C4'-P energy: -20.869
tors. eta vs tors. theta energy: -28.200
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: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -361.525499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.525499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.525499 (E_RNA)
where:
Base-Base interactions energy: -209.906
where: short stacking energy: -114.296
Base-Backbone interact. energy: -0.925
local terms energy: -150.694398
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -40.915
flat angles C4'-P-C4' energy: -31.208
flat angles P-C4'-P energy: -24.538
tors. eta vs tors. theta energy: -23.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -258.256448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.256448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.256448 (E_RNA)
where:
Base-Base interactions energy: -118.438
where: short stacking energy: -58.090
Base-Backbone interact. energy: -0.326
local terms energy: -139.491819
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -34.915
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -13.694
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: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -258.453896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.453896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.453896 (E_RNA)
where:
Base-Base interactions energy: -146.743
where: short stacking energy: -84.918
Base-Backbone interact. energy: 0.199
local terms energy: -111.910401
where:
bonds (distance) C4'-P energy: -25.765
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -27.990
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -10.802
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: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -678.927395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.927395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.927395 (E_RNA)
where:
Base-Base interactions energy: -461.591
where: short stacking energy: -203.146
Base-Backbone interact. energy: -0.136
local terms energy: -217.200363
where:
bonds (distance) C4'-P energy: -36.310
bonds (distance) P-C4' energy: -40.365
flat angles C4'-P-C4' energy: -47.308
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -62.796
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: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -632.609074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.609074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.609074 (E_RNA)
where:
Base-Base interactions energy: -447.816
where: short stacking energy: -200.511
Base-Backbone interact. energy: 2.372
local terms energy: -187.164930
where:
bonds (distance) C4'-P energy: -34.584
bonds (distance) P-C4' energy: -32.493
flat angles C4'-P-C4' energy: -41.677
flat angles P-C4'-P energy: -31.597
tors. eta vs tors. theta energy: -46.814
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: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -611.761609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.761609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.761609 (E_RNA)
where:
Base-Base interactions energy: -395.353
where: short stacking energy: -194.327
Base-Backbone interact. energy: -0.064
local terms energy: -216.344406
where:
bonds (distance) C4'-P energy: -32.400
bonds (distance) P-C4' energy: -41.338
flat angles C4'-P-C4' energy: -45.724
flat angles P-C4'-P energy: -34.826
tors. eta vs tors. theta energy: -62.057
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: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -577.927565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.927565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.927565 (E_RNA)
where:
Base-Base interactions energy: -379.816
where: short stacking energy: -173.945
Base-Backbone interact. energy: -0.681
local terms energy: -197.431197
where:
bonds (distance) C4'-P energy: -36.933
bonds (distance) P-C4' energy: -35.893
flat angles C4'-P-C4' energy: -41.352
flat angles P-C4'-P energy: -29.545
tors. eta vs tors. theta energy: -53.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -506.242325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.242325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.242325 (E_RNA)
where:
Base-Base interactions energy: -323.443
where: short stacking energy: -145.925
Base-Backbone interact. energy: -0.364
local terms energy: -182.434928
where:
bonds (distance) C4'-P energy: -42.616
bonds (distance) P-C4' energy: -39.880
flat angles C4'-P-C4' energy: -38.151
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -39.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -478.081211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.081211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.081211 (E_RNA)
where:
Base-Base interactions energy: -291.183
where: short stacking energy: -127.527
Base-Backbone interact. energy: -0.566
local terms energy: -186.332674
where:
bonds (distance) C4'-P energy: -42.483
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -39.998
flat angles P-C4'-P energy: -31.678
tors. eta vs tors. theta energy: -30.862
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: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -427.592187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.592187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.592187 (E_RNA)
where:
Base-Base interactions energy: -268.063
where: short stacking energy: -131.220
Base-Backbone interact. energy: -0.129
local terms energy: -159.400563
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -30.170
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -34.273
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: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -362.864561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.864561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.864561 (E_RNA)
where:
Base-Base interactions energy: -222.174
where: short stacking energy: -104.785
Base-Backbone interact. energy: 1.059
local terms energy: -141.748691
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -38.826
flat angles C4'-P-C4' energy: -38.650
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -267.722129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.722129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.722129 (E_RNA)
where:
Base-Base interactions energy: -153.987
where: short stacking energy: -77.885
Base-Backbone interact. energy: 5.839
local terms energy: -119.574075
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -33.215
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -6.345
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: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -225.836857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.836857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.836857 (E_RNA)
where:
Base-Base interactions energy: -130.781
where: short stacking energy: -75.026
Base-Backbone interact. energy: 0.194
local terms energy: -95.250107
where:
bonds (distance) C4'-P energy: -25.734
bonds (distance) P-C4' energy: -33.124
flat angles C4'-P-C4' energy: -28.432
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: 4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -683.007266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.007266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.007266 (E_RNA)
where:
Base-Base interactions energy: -462.853
where: short stacking energy: -197.965
Base-Backbone interact. energy: -0.193
local terms energy: -219.961165
where:
bonds (distance) C4'-P energy: -38.372
bonds (distance) P-C4' energy: -38.611
flat angles C4'-P-C4' energy: -46.124
flat angles P-C4'-P energy: -31.458
tors. eta vs tors. theta energy: -65.395
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: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -608.312571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.312571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.312571 (E_RNA)
where:
Base-Base interactions energy: -403.771
where: short stacking energy: -189.587
Base-Backbone interact. energy: -0.396
local terms energy: -204.145808
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -33.407
flat angles C4'-P-C4' energy: -47.087
flat angles P-C4'-P energy: -29.160
tors. eta vs tors. theta energy: -60.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -631.964410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.964410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.964410 (E_RNA)
where:
Base-Base interactions energy: -435.170
where: short stacking energy: -187.468
Base-Backbone interact. energy: 0.665
local terms energy: -197.459708
where:
bonds (distance) C4'-P energy: -36.503
bonds (distance) P-C4' energy: -42.556
flat angles C4'-P-C4' energy: -39.890
flat angles P-C4'-P energy: -29.257
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: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -590.707717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.707717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.707717 (E_RNA)
where:
Base-Base interactions energy: -408.814
where: short stacking energy: -176.441
Base-Backbone interact. energy: 0.384
local terms energy: -182.278095
where:
bonds (distance) C4'-P energy: -32.469
bonds (distance) P-C4' energy: -35.610
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -51.905
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: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -511.872458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.872458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.872458 (E_RNA)
where:
Base-Base interactions energy: -336.456
where: short stacking energy: -162.000
Base-Backbone interact. energy: -0.527
local terms energy: -174.889203
where:
bonds (distance) C4'-P energy: -34.681
bonds (distance) P-C4' energy: -30.658
flat angles C4'-P-C4' energy: -40.828
flat angles P-C4'-P energy: -28.424
tors. eta vs tors. theta energy: -40.298
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: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -453.268245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.268245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.268245 (E_RNA)
where:
Base-Base interactions energy: -288.494
where: short stacking energy: -136.685
Base-Backbone interact. energy: -0.321
local terms energy: -164.453755
where:
bonds (distance) C4'-P energy: -31.739
bonds (distance) P-C4' energy: -36.921
flat angles C4'-P-C4' energy: -38.001
flat angles P-C4'-P energy: -26.318
tors. eta vs tors. theta energy: -31.476
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: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -467.551279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.551279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.551279 (E_RNA)
where:
Base-Base interactions energy: -309.637
where: short stacking energy: -138.492
Base-Backbone interact. energy: -0.739
local terms energy: -157.174862
where:
bonds (distance) C4'-P energy: -32.201
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -34.651
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -39.725
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: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -362.411973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.411973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.411973 (E_RNA)
where:
Base-Base interactions energy: -214.168
where: short stacking energy: -90.822
Base-Backbone interact. energy: -1.574
local terms energy: -146.670158
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -36.573
flat angles C4'-P-C4' energy: -29.479
flat angles P-C4'-P energy: -30.327
tors. eta vs tors. theta energy: -19.727
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: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -261.219387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.219387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.219387 (E_RNA)
where:
Base-Base interactions energy: -128.478
where: short stacking energy: -76.375
Base-Backbone interact. energy: -1.084
local terms energy: -131.657781
where:
bonds (distance) C4'-P energy: -37.693
bonds (distance) P-C4' energy: -38.133
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -192.287559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.287559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.287559 (E_RNA)
where:
Base-Base interactions energy: -69.071
where: short stacking energy: -59.416
Base-Backbone interact. energy: 2.064
local terms energy: -125.280559
where:
bonds (distance) C4'-P energy: -33.147
bonds (distance) P-C4' energy: -40.007
flat angles C4'-P-C4' energy: -26.953
flat angles P-C4'-P energy: -20.113
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: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -669.566008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.566008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.566008 (E_RNA)
where:
Base-Base interactions energy: -466.217
where: short stacking energy: -209.827
Base-Backbone interact. energy: -0.767
local terms energy: -202.582993
where:
bonds (distance) C4'-P energy: -35.189
bonds (distance) P-C4' energy: -36.304
flat angles C4'-P-C4' energy: -45.502
flat angles P-C4'-P energy: -20.183
tors. eta vs tors. theta energy: -65.406
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: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -626.872490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.872490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.872490 (E_RNA)
where:
Base-Base interactions energy: -415.608
where: short stacking energy: -203.279
Base-Backbone interact. energy: -0.022
local terms energy: -211.242294
where:
bonds (distance) C4'-P energy: -38.579
bonds (distance) P-C4' energy: -35.272
flat angles C4'-P-C4' energy: -41.849
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -64.099
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: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -611.701240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.701240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.701240 (E_RNA)
where:
Base-Base interactions energy: -431.217
where: short stacking energy: -163.547
Base-Backbone interact. energy: -0.234
local terms energy: -180.249583
where:
bonds (distance) C4'-P energy: -43.022
bonds (distance) P-C4' energy: -37.142
flat angles C4'-P-C4' energy: -42.981
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -39.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -615.641445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.641445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.641445 (E_RNA)
where:
Base-Base interactions energy: -420.106
where: short stacking energy: -178.051
Base-Backbone interact. energy: -0.251
local terms energy: -195.284670
where:
bonds (distance) C4'-P energy: -37.147
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -40.966
flat angles P-C4'-P energy: -28.567
tors. eta vs tors. theta energy: -53.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -506.345036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.345036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.345036 (E_RNA)
where:
Base-Base interactions energy: -324.836
where: short stacking energy: -145.750
Base-Backbone interact. energy: -0.828
local terms energy: -180.680765
where:
bonds (distance) C4'-P energy: -37.874
bonds (distance) P-C4' energy: -37.672
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -23.710
tors. eta vs tors. theta energy: -46.245
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: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -444.454443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.454443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.454443 (E_RNA)
where:
Base-Base interactions energy: -284.918
where: short stacking energy: -125.679
Base-Backbone interact. energy: -0.705
local terms energy: -158.831699
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -35.945
flat angles C4'-P-C4' energy: -39.194
flat angles P-C4'-P energy: -26.699
tors. eta vs tors. theta energy: -27.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -441.768611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.768611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.768611 (E_RNA)
where:
Base-Base interactions energy: -288.008
where: short stacking energy: -121.301
Base-Backbone interact. energy: -0.512
local terms energy: -153.247970
where:
bonds (distance) C4'-P energy: -32.596
bonds (distance) P-C4' energy: -38.831
flat angles C4'-P-C4' energy: -37.682
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -356.550468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.550468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.550468 (E_RNA)
where:
Base-Base interactions energy: -213.614
where: short stacking energy: -98.493
Base-Backbone interact. energy: -0.776
local terms energy: -142.160538
where:
bonds (distance) C4'-P energy: -35.225
bonds (distance) P-C4' energy: -35.936
flat angles C4'-P-C4' energy: -30.630
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: -17.621
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: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -255.758761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.758761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.758761 (E_RNA)
where:
Base-Base interactions energy: -138.534
where: short stacking energy: -77.450
Base-Backbone interact. energy: -0.291
local terms energy: -116.933689
where:
bonds (distance) C4'-P energy: -30.470
bonds (distance) P-C4' energy: -34.907
flat angles C4'-P-C4' energy: -28.919
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -4.792
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: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -176.838353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.838353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.838353 (E_RNA)
where:
Base-Base interactions energy: -57.282
where: short stacking energy: -51.401
Base-Backbone interact. energy: -0.212
local terms energy: -119.344594
where:
bonds (distance) C4'-P energy: -28.481
bonds (distance) P-C4' energy: -38.674
flat angles C4'-P-C4' energy: -28.779
flat angles P-C4'-P energy: -19.242
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -662.539995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.539995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.539995 (E_RNA)
where:
Base-Base interactions energy: -462.134
where: short stacking energy: -199.128
Base-Backbone interact. energy: -0.771
local terms energy: -199.634791
where:
bonds (distance) C4'-P energy: -30.134
bonds (distance) P-C4' energy: -42.596
flat angles C4'-P-C4' energy: -44.970
flat angles P-C4'-P energy: -23.834
tors. eta vs tors. theta energy: -58.101
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: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -629.106121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.106121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.106121 (E_RNA)
where:
Base-Base interactions energy: -424.440
where: short stacking energy: -184.937
Base-Backbone interact. energy: -1.177
local terms energy: -203.488480
where:
bonds (distance) C4'-P energy: -39.859
bonds (distance) P-C4' energy: -33.366
flat angles C4'-P-C4' energy: -44.477
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -52.047
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: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -611.420110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.420110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.420110 (E_RNA)
where:
Base-Base interactions energy: -405.620
where: short stacking energy: -194.512
Base-Backbone interact. energy: -0.036
local terms energy: -205.764777
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -33.381
flat angles C4'-P-C4' energy: -42.572
flat angles P-C4'-P energy: -29.366
tors. eta vs tors. theta energy: -60.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -590.335257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.335257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.335257 (E_RNA)
where:
Base-Base interactions energy: -397.735
where: short stacking energy: -157.328
Base-Backbone interact. energy: -0.728
local terms energy: -191.871872
where:
bonds (distance) C4'-P energy: -35.384
bonds (distance) P-C4' energy: -31.863
flat angles C4'-P-C4' energy: -42.895
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -52.607
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: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -489.128852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.128852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.128852 (E_RNA)
where:
Base-Base interactions energy: -322.435
where: short stacking energy: -147.674
Base-Backbone interact. energy: -0.107
local terms energy: -166.587094
where:
bonds (distance) C4'-P energy: -38.184
bonds (distance) P-C4' energy: -39.879
flat angles C4'-P-C4' energy: -27.097
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -43.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -476.401081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.401081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.401081 (E_RNA)
where:
Base-Base interactions energy: -312.450
where: short stacking energy: -136.045
Base-Backbone interact. energy: 0.014
local terms energy: -163.964599
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -35.441
flat angles C4'-P-C4' energy: -37.268
flat angles P-C4'-P energy: -26.882
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -432.881368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.881368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.881368 (E_RNA)
where:
Base-Base interactions energy: -281.919
where: short stacking energy: -121.395
Base-Backbone interact. energy: -0.458
local terms energy: -150.504036
where:
bonds (distance) C4'-P energy: -30.969
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -38.319
flat angles P-C4'-P energy: -22.270
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: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -408.922449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.922449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.922449 (E_RNA)
where:
Base-Base interactions energy: -266.354
where: short stacking energy: -112.307
Base-Backbone interact. energy: -1.572
local terms energy: -140.997090
where:
bonds (distance) C4'-P energy: -36.025
bonds (distance) P-C4' energy: -30.806
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -23.677
tors. eta vs tors. theta energy: -26.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -260.958167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.958167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.958167 (E_RNA)
where:
Base-Base interactions energy: -131.819
where: short stacking energy: -68.126
Base-Backbone interact. energy: -1.380
local terms energy: -127.759884
where:
bonds (distance) C4'-P energy: -36.503
bonds (distance) P-C4' energy: -40.587
flat angles C4'-P-C4' energy: -29.712
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -1.011
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: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -180.804821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.804821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.804821 (E_RNA)
where:
Base-Base interactions energy: -81.795
where: short stacking energy: -57.836
Base-Backbone interact. energy: -0.176
local terms energy: -98.833959
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -36.762
flat angles C4'-P-C4' energy: -25.845
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: 0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -650.448148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.448148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.448148 (E_RNA)
where:
Base-Base interactions energy: -436.030
where: short stacking energy: -189.903
Base-Backbone interact. energy: -0.899
local terms energy: -213.519221
where:
bonds (distance) C4'-P energy: -42.346
bonds (distance) P-C4' energy: -44.602
flat angles C4'-P-C4' energy: -41.054
flat angles P-C4'-P energy: -34.280
tors. eta vs tors. theta energy: -51.238
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: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -660.278163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.278163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.278163 (E_RNA)
where:
Base-Base interactions energy: -448.401
where: short stacking energy: -193.353
Base-Backbone interact. energy: -1.389
local terms energy: -210.488801
where:
bonds (distance) C4'-P energy: -35.776
bonds (distance) P-C4' energy: -40.905
flat angles C4'-P-C4' energy: -38.932
flat angles P-C4'-P energy: -30.500
tors. eta vs tors. theta energy: -64.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -595.158694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.158694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.158694 (E_RNA)
where:
Base-Base interactions energy: -406.809
where: short stacking energy: -165.823
Base-Backbone interact. energy: -0.266
local terms energy: -188.083733
where:
bonds (distance) C4'-P energy: -35.372
bonds (distance) P-C4' energy: -36.392
flat angles C4'-P-C4' energy: -34.926
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: -48.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -586.794284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.794284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.794284 (E_RNA)
where:
Base-Base interactions energy: -406.619
where: short stacking energy: -194.351
Base-Backbone interact. energy: -0.422
local terms energy: -179.753441
where:
bonds (distance) C4'-P energy: -30.107
bonds (distance) P-C4' energy: -31.029
flat angles C4'-P-C4' energy: -40.360
flat angles P-C4'-P energy: -21.687
tors. eta vs tors. theta energy: -56.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -476.398501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.398501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.398501 (E_RNA)
where:
Base-Base interactions energy: -310.115
where: short stacking energy: -134.208
Base-Backbone interact. energy: -0.211
local terms energy: -166.073337
where:
bonds (distance) C4'-P energy: -35.674
bonds (distance) P-C4' energy: -43.203
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -38.462
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: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -472.800662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.800662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.800662 (E_RNA)
where:
Base-Base interactions energy: -302.927
where: short stacking energy: -126.518
Base-Backbone interact. energy: -0.596
local terms energy: -169.277670
where:
bonds (distance) C4'-P energy: -32.466
bonds (distance) P-C4' energy: -35.433
flat angles C4'-P-C4' energy: -44.312
flat angles P-C4'-P energy: -26.146
tors. eta vs tors. theta energy: -30.921
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: 328
Temperature: 1.200000
Total energy: -415.289924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.289924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.289924 (E_RNA)
where:
Base-Base interactions energy: -259.624
where: short stacking energy: -106.730
Base-Backbone interact. energy: -0.404
local terms energy: -155.261291
where:
bonds (distance) C4'-P energy: -34.379
bonds (distance) P-C4' energy: -32.188
flat angles C4'-P-C4' energy: -32.213
flat angles P-C4'-P energy: -27.301
tors. eta vs tors. theta energy: -29.179
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: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -437.105236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.105236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.105236 (E_RNA)
where:
Base-Base interactions energy: -278.456
where: short stacking energy: -128.820
Base-Backbone interact. energy: -0.883
local terms energy: -157.766905
where:
bonds (distance) C4'-P energy: -36.687
bonds (distance) P-C4' energy: -30.990
flat angles C4'-P-C4' energy: -35.373
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: -29.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -189.124576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.124576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.124576 (E_RNA)
where:
Base-Base interactions energy: -65.164
where: short stacking energy: -53.829
Base-Backbone interact. energy: -1.426
local terms energy: -122.535129
where:
bonds (distance) C4'-P energy: -33.121
bonds (distance) P-C4' energy: -36.433
flat angles C4'-P-C4' energy: -33.739
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -261.045500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.045500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.045500 (E_RNA)
where:
Base-Base interactions energy: -141.198
where: short stacking energy: -68.482
Base-Backbone interact. energy: 0.680
local terms energy: -120.527163
where:
bonds (distance) C4'-P energy: -34.706
bonds (distance) P-C4' energy: -36.095
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -18.338
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -648.628287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.628287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.628287 (E_RNA)
where:
Base-Base interactions energy: -444.291
where: short stacking energy: -193.432
Base-Backbone interact. energy: -0.858
local terms energy: -203.478803
where:
bonds (distance) C4'-P energy: -39.046
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -44.105
flat angles P-C4'-P energy: -33.845
tors. eta vs tors. theta energy: -48.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -651.282541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.282541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.282541 (E_RNA)
where:
Base-Base interactions energy: -456.220
where: short stacking energy: -204.717
Base-Backbone interact. energy: -0.009
local terms energy: -195.053704
where:
bonds (distance) C4'-P energy: -35.366
bonds (distance) P-C4' energy: -34.339
flat angles C4'-P-C4' energy: -37.888
flat angles P-C4'-P energy: -26.488
tors. eta vs tors. theta energy: -60.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -601.509376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.509376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.509376 (E_RNA)
where:
Base-Base interactions energy: -403.374
where: short stacking energy: -170.171
Base-Backbone interact. energy: -0.748
local terms energy: -197.387441
where:
bonds (distance) C4'-P energy: -43.027
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -42.902
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: -45.521
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: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -601.594778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.594778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.594778 (E_RNA)
where:
Base-Base interactions energy: -394.196
where: short stacking energy: -189.566
Base-Backbone interact. energy: -0.176
local terms energy: -207.223379
where:
bonds (distance) C4'-P energy: -43.063
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -33.578
tors. eta vs tors. theta energy: -56.847
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: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -494.390770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.390770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.390770 (E_RNA)
where:
Base-Base interactions energy: -306.968
where: short stacking energy: -134.643
Base-Backbone interact. energy: -1.502
local terms energy: -185.921326
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -48.242
flat angles C4'-P-C4' energy: -42.351
flat angles P-C4'-P energy: -25.376
tors. eta vs tors. theta energy: -32.472
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: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -499.762934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.762934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.762934 (E_RNA)
where:
Base-Base interactions energy: -336.874
where: short stacking energy: -141.549
Base-Backbone interact. energy: -0.440
local terms energy: -162.449033
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -35.937
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -31.630
tors. eta vs tors. theta energy: -37.538
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: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -449.565774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.565774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.565774 (E_RNA)
where:
Base-Base interactions energy: -296.951
where: short stacking energy: -136.147
Base-Backbone interact. energy: 0.647
local terms energy: -153.261524
where:
bonds (distance) C4'-P energy: -28.296
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -33.308
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -36.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -362.017293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.017293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.017293 (E_RNA)
where:
Base-Base interactions energy: -216.944
where: short stacking energy: -104.674
Base-Backbone interact. energy: -0.907
local terms energy: -144.165971
where:
bonds (distance) C4'-P energy: -29.956
bonds (distance) P-C4' energy: -35.820
flat angles C4'-P-C4' energy: -36.867
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -19.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -195.571028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.571028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.571028 (E_RNA)
where:
Base-Base interactions energy: -79.278
where: short stacking energy: -74.970
Base-Backbone interact. energy: -0.888
local terms energy: -115.405323
where:
bonds (distance) C4'-P energy: -37.146
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -26.232
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -253.521725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.521725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.521725 (E_RNA)
where:
Base-Base interactions energy: -135.322
where: short stacking energy: -73.477
Base-Backbone interact. energy: 1.856
local terms energy: -120.055777
where:
bonds (distance) C4'-P energy: -25.997
bonds (distance) P-C4' energy: -34.993
flat angles C4'-P-C4' energy: -33.870
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -677.638708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.638708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.638708 (E_RNA)
where:
Base-Base interactions energy: -459.859
where: short stacking energy: -196.428
Base-Backbone interact. energy: -0.217
local terms energy: -217.562849
where:
bonds (distance) C4'-P energy: -44.623
bonds (distance) P-C4' energy: -39.162
flat angles C4'-P-C4' energy: -41.081
flat angles P-C4'-P energy: -30.293
tors. eta vs tors. theta energy: -62.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -642.405841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.405841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.405841 (E_RNA)
where:
Base-Base interactions energy: -429.387
where: short stacking energy: -187.216
Base-Backbone interact. energy: -2.828
local terms energy: -210.190666
where:
bonds (distance) C4'-P energy: -36.812
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -40.596
flat angles P-C4'-P energy: -36.128
tors. eta vs tors. theta energy: -57.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -620.739053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.739053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.739053 (E_RNA)
where:
Base-Base interactions energy: -421.162
where: short stacking energy: -172.250
Base-Backbone interact. energy: -0.765
local terms energy: -198.812484
where:
bonds (distance) C4'-P energy: -31.798
bonds (distance) P-C4' energy: -38.102
flat angles C4'-P-C4' energy: -45.706
flat angles P-C4'-P energy: -29.688
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: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -580.343444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.343444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.343444 (E_RNA)
where:
Base-Base interactions energy: -371.248
where: short stacking energy: -179.283
Base-Backbone interact. energy: -0.159
local terms energy: -208.937104
where:
bonds (distance) C4'-P energy: -37.931
bonds (distance) P-C4' energy: -38.744
flat angles C4'-P-C4' energy: -41.505
flat angles P-C4'-P energy: -33.990
tors. eta vs tors. theta energy: -56.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -494.019046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.019046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.019046 (E_RNA)
where:
Base-Base interactions energy: -316.788
where: short stacking energy: -146.370
Base-Backbone interact. energy: -0.167
local terms energy: -177.063847
where:
bonds (distance) C4'-P energy: -37.549
bonds (distance) P-C4' energy: -40.954
flat angles C4'-P-C4' energy: -39.885
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -38.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -478.280171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.280171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.280171 (E_RNA)
where:
Base-Base interactions energy: -308.133
where: short stacking energy: -136.434
Base-Backbone interact. energy: -0.108
local terms energy: -170.038366
where:
bonds (distance) C4'-P energy: -37.020
bonds (distance) P-C4' energy: -34.508
flat angles C4'-P-C4' energy: -38.787
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -34.202
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: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -463.367885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.367885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.367885 (E_RNA)
where:
Base-Base interactions energy: -304.994
where: short stacking energy: -135.267
Base-Backbone interact. energy: -0.115
local terms energy: -158.258295
where:
bonds (distance) C4'-P energy: -32.912
bonds (distance) P-C4' energy: -33.179
flat angles C4'-P-C4' energy: -31.514
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -38.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -378.289048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.289048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.289048 (E_RNA)
where:
Base-Base interactions energy: -242.229
where: short stacking energy: -113.539
Base-Backbone interact. energy: -0.058
local terms energy: -136.001479
where:
bonds (distance) C4'-P energy: -37.030
bonds (distance) P-C4' energy: -33.512
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -299.208400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.208400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.208400 (E_RNA)
where:
Base-Base interactions energy: -158.247
where: short stacking energy: -96.497
Base-Backbone interact. energy: -0.219
local terms energy: -140.742113
where:
bonds (distance) C4'-P energy: -31.044
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -190.667553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.667553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.667553 (E_RNA)
where:
Base-Base interactions energy: -82.459
where: short stacking energy: -64.329
Base-Backbone interact. energy: -0.679
local terms energy: -107.529826
where:
bonds (distance) C4'-P energy: -39.270
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -659.344134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.344134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.344134 (E_RNA)
where:
Base-Base interactions energy: -452.346
where: short stacking energy: -198.398
Base-Backbone interact. energy: -0.023
local terms energy: -206.974850
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -35.075
flat angles C4'-P-C4' energy: -45.412
flat angles P-C4'-P energy: -28.788
tors. eta vs tors. theta energy: -61.375
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: 331
Temperature: 0.950000
Total energy: -639.267510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.267510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.267510 (E_RNA)
where:
Base-Base interactions energy: -434.558
where: short stacking energy: -188.179
Base-Backbone interact. energy: -0.991
local terms energy: -203.719300
where:
bonds (distance) C4'-P energy: -35.547
bonds (distance) P-C4' energy: -43.019
flat angles C4'-P-C4' energy: -44.206
flat angles P-C4'-P energy: -29.495
tors. eta vs tors. theta energy: -51.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -610.683253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.683253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.683253 (E_RNA)
where:
Base-Base interactions energy: -412.801
where: short stacking energy: -175.765
Base-Backbone interact. energy: -1.164
local terms energy: -196.718818
where:
bonds (distance) C4'-P energy: -39.686
bonds (distance) P-C4' energy: -39.284
flat angles C4'-P-C4' energy: -40.382
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: -48.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -566.252446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.252446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.252446 (E_RNA)
where:
Base-Base interactions energy: -364.436
where: short stacking energy: -177.874
Base-Backbone interact. energy: -0.316
local terms energy: -201.500360
where:
bonds (distance) C4'-P energy: -35.386
bonds (distance) P-C4' energy: -39.785
flat angles C4'-P-C4' energy: -45.319
flat angles P-C4'-P energy: -27.988
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: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -497.800958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.800958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.800958 (E_RNA)
where:
Base-Base interactions energy: -345.214
where: short stacking energy: -148.161
Base-Backbone interact. energy: -0.191
local terms energy: -152.396206
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -37.924
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -34.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -486.224325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.224325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.224325 (E_RNA)
where:
Base-Base interactions energy: -311.400
where: short stacking energy: -145.714
Base-Backbone interact. energy: -0.370
local terms energy: -174.453527
where:
bonds (distance) C4'-P energy: -34.038
bonds (distance) P-C4' energy: -39.019
flat angles C4'-P-C4' energy: -35.632
flat angles P-C4'-P energy: -25.510
tors. eta vs tors. theta energy: -40.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -468.304407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.304407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.304407 (E_RNA)
where:
Base-Base interactions energy: -302.883
where: short stacking energy: -140.318
Base-Backbone interact. energy: -0.430
local terms energy: -164.991369
where:
bonds (distance) C4'-P energy: -32.768
bonds (distance) P-C4' energy: -34.592
flat angles C4'-P-C4' energy: -33.210
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -48.041
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: 331
Temperature: 1.250000
Total energy: -431.805943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.805943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.805943 (E_RNA)
where:
Base-Base interactions energy: -275.608
where: short stacking energy: -141.363
Base-Backbone interact. energy: -0.821
local terms energy: -155.376955
where:
bonds (distance) C4'-P energy: -32.610
bonds (distance) P-C4' energy: -34.993
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -30.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -258.306204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.306204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.306204 (E_RNA)
where:
Base-Base interactions energy: -139.219
where: short stacking energy: -86.860
Base-Backbone interact. energy: 1.031
local terms energy: -120.118103
where:
bonds (distance) C4'-P energy: -32.434
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -171.359687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.359687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.359687 (E_RNA)
where:
Base-Base interactions energy: -64.529
where: short stacking energy: -53.476
Base-Backbone interact. energy: -1.024
local terms energy: -105.806363
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -32.382
flat angles C4'-P-C4' energy: -33.251
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: 8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -659.362163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.362163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.362163 (E_RNA)
where:
Base-Base interactions energy: -446.211
where: short stacking energy: -199.521
Base-Backbone interact. energy: 0.963
local terms energy: -214.113687
where:
bonds (distance) C4'-P energy: -37.230
bonds (distance) P-C4' energy: -45.329
flat angles C4'-P-C4' energy: -41.657
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -63.614
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: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -629.537337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.537337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.537337 (E_RNA)
where:
Base-Base interactions energy: -428.249
where: short stacking energy: -173.097
Base-Backbone interact. energy: -2.050
local terms energy: -199.238655
where:
bonds (distance) C4'-P energy: -35.010
bonds (distance) P-C4' energy: -39.893
flat angles C4'-P-C4' energy: -45.742
flat angles P-C4'-P energy: -25.983
tors. eta vs tors. theta energy: -52.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -623.511199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.511199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.511199 (E_RNA)
where:
Base-Base interactions energy: -431.653
where: short stacking energy: -182.922
Base-Backbone interact. energy: -0.838
local terms energy: -191.020129
where:
bonds (distance) C4'-P energy: -30.791
bonds (distance) P-C4' energy: -40.453
flat angles C4'-P-C4' energy: -39.736
flat angles P-C4'-P energy: -28.697
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: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -566.099109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.099109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.099109 (E_RNA)
where:
Base-Base interactions energy: -373.802
where: short stacking energy: -168.240
Base-Backbone interact. energy: -0.768
local terms energy: -191.528906
where:
bonds (distance) C4'-P energy: -27.576
bonds (distance) P-C4' energy: -42.617
flat angles C4'-P-C4' energy: -39.804
flat angles P-C4'-P energy: -29.635
tors. eta vs tors. theta energy: -51.897
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: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -526.951027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.951027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.951027 (E_RNA)
where:
Base-Base interactions energy: -339.470
where: short stacking energy: -151.143
Base-Backbone interact. energy: -1.621
local terms energy: -185.860599
where:
bonds (distance) C4'-P energy: -41.397
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -42.966
flat angles P-C4'-P energy: -27.171
tors. eta vs tors. theta energy: -37.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -463.556231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.556231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.556231 (E_RNA)
where:
Base-Base interactions energy: -307.029
where: short stacking energy: -141.752
Base-Backbone interact. energy: -0.762
local terms energy: -155.765000
where:
bonds (distance) C4'-P energy: -29.937
bonds (distance) P-C4' energy: -39.371
flat angles C4'-P-C4' energy: -27.335
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -44.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -436.331502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.331502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.331502 (E_RNA)
where:
Base-Base interactions energy: -272.296
where: short stacking energy: -125.464
Base-Backbone interact. energy: -0.427
local terms energy: -163.608727
where:
bonds (distance) C4'-P energy: -42.119
bonds (distance) P-C4' energy: -34.256
flat angles C4'-P-C4' energy: -31.214
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -37.206
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: 332
Temperature: 1.250000
Total energy: -420.149818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.149818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.149818 (E_RNA)
where:
Base-Base interactions energy: -279.363
where: short stacking energy: -130.754
Base-Backbone interact. energy: -1.422
local terms energy: -139.364827
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -29.770
flat angles C4'-P-C4' energy: -34.499
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -29.967
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: 9, replica: 2
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -259.334363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.334363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.334363 (E_RNA)
where:
Base-Base interactions energy: -126.494
where: short stacking energy: -72.687
Base-Backbone interact. energy: -0.745
local terms energy: -132.095498
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -35.713
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -183.872134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.872134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.872134 (E_RNA)
where:
Base-Base interactions energy: -76.793
where: short stacking energy: -40.292
Base-Backbone interact. energy: 0.231
local terms energy: -107.310093
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -36.257
flat angles C4'-P-C4' energy: -30.697
flat angles P-C4'-P energy: -25.644
tors. eta vs tors. theta energy: 10.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -669.280489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.280489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.280489 (E_RNA)
where:
Base-Base interactions energy: -458.326
where: short stacking energy: -205.333
Base-Backbone interact. energy: 0.259
local terms energy: -211.213532
where:
bonds (distance) C4'-P energy: -36.737
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -44.685
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -62.108
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: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -637.544073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.544073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.544073 (E_RNA)
where:
Base-Base interactions energy: -427.941
where: short stacking energy: -182.628
Base-Backbone interact. energy: -0.578
local terms energy: -209.024864
where:
bonds (distance) C4'-P energy: -39.718
bonds (distance) P-C4' energy: -41.793
flat angles C4'-P-C4' energy: -44.691
flat angles P-C4'-P energy: -30.743
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: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -619.846392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.846392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.846392 (E_RNA)
where:
Base-Base interactions energy: -422.751
where: short stacking energy: -169.486
Base-Backbone interact. energy: -0.757
local terms energy: -196.338089
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -30.423
flat angles C4'-P-C4' energy: -46.278
flat angles P-C4'-P energy: -28.555
tors. eta vs tors. theta energy: -52.384
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: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -577.595931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.595931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.595931 (E_RNA)
where:
Base-Base interactions energy: -379.758
where: short stacking energy: -183.969
Base-Backbone interact. energy: 2.093
local terms energy: -199.931028
where:
bonds (distance) C4'-P energy: -42.039
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -40.697
flat angles P-C4'-P energy: -30.990
tors. eta vs tors. theta energy: -56.157
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: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -561.540287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.540287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.540287 (E_RNA)
where:
Base-Base interactions energy: -383.800
where: short stacking energy: -166.189
Base-Backbone interact. energy: -0.991
local terms energy: -176.749924
where:
bonds (distance) C4'-P energy: -32.377
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -38.827
flat angles P-C4'-P energy: -20.635
tors. eta vs tors. theta energy: -50.091
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: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -444.162985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.162985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.162985 (E_RNA)
where:
Base-Base interactions energy: -299.824
where: short stacking energy: -137.077
Base-Backbone interact. energy: -0.436
local terms energy: -143.903643
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -29.224
flat angles C4'-P-C4' energy: -27.994
flat angles P-C4'-P energy: -23.076
tors. eta vs tors. theta energy: -34.555
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: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -469.929185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.929185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.929185 (E_RNA)
where:
Base-Base interactions energy: -315.717
where: short stacking energy: -140.242
Base-Backbone interact. energy: 1.101
local terms energy: -155.314058
where:
bonds (distance) C4'-P energy: -31.227
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -22.475
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: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -398.507729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.507729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.507729 (E_RNA)
where:
Base-Base interactions energy: -252.391
where: short stacking energy: -126.063
Base-Backbone interact. energy: -0.297
local terms energy: -145.819459
where:
bonds (distance) C4'-P energy: -38.752
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -32.134
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -30.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -267.502967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.502967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.502967 (E_RNA)
where:
Base-Base interactions energy: -145.918
where: short stacking energy: -85.454
Base-Backbone interact. energy: -0.737
local terms energy: -120.847956
where:
bonds (distance) C4'-P energy: -31.892
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -31.997
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -11.243
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: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -172.858464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.858464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.858464 (E_RNA)
where:
Base-Base interactions energy: -59.551
where: short stacking energy: -45.032
Base-Backbone interact. energy: -1.459
local terms energy: -111.848596
where:
bonds (distance) C4'-P energy: -35.186
bonds (distance) P-C4' energy: -34.085
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -19.920
tors. eta vs tors. theta energy: 3.233
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: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -665.073447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.073447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.073447 (E_RNA)
where:
Base-Base interactions energy: -455.200
where: short stacking energy: -193.177
Base-Backbone interact. energy: -0.988
local terms energy: -208.886293
where:
bonds (distance) C4'-P energy: -37.616
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -39.780
flat angles P-C4'-P energy: -37.968
tors. eta vs tors. theta energy: -56.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -660.032840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.032840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.032840 (E_RNA)
where:
Base-Base interactions energy: -451.790
where: short stacking energy: -210.217
Base-Backbone interact. energy: -0.392
local terms energy: -207.850506
where:
bonds (distance) C4'-P energy: -43.566
bonds (distance) P-C4' energy: -37.566
flat angles C4'-P-C4' energy: -42.704
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -60.427
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: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -616.315081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.315081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.315081 (E_RNA)
where:
Base-Base interactions energy: -409.842
where: short stacking energy: -174.243
Base-Backbone interact. energy: -3.043
local terms energy: -203.430222
where:
bonds (distance) C4'-P energy: -43.119
bonds (distance) P-C4' energy: -34.141
flat angles C4'-P-C4' energy: -44.081
flat angles P-C4'-P energy: -25.693
tors. eta vs tors. theta energy: -56.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -566.391426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.391426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.391426 (E_RNA)
where:
Base-Base interactions energy: -371.050
where: short stacking energy: -179.621
Base-Backbone interact. energy: -1.208
local terms energy: -194.133597
where:
bonds (distance) C4'-P energy: -38.355
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -26.649
tors. eta vs tors. theta energy: -52.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -562.624436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.624436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.624436 (E_RNA)
where:
Base-Base interactions energy: -385.470
where: short stacking energy: -172.342
Base-Backbone interact. energy: 1.612
local terms energy: -178.767097
where:
bonds (distance) C4'-P energy: -31.024
bonds (distance) P-C4' energy: -41.741
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: -44.474
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: 334
Temperature: 1.150000
Total energy: -409.604295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.604295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.604295 (E_RNA)
where:
Base-Base interactions energy: -266.822
where: short stacking energy: -114.673
Base-Backbone interact. energy: 0.090
local terms energy: -142.872016
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -18.951
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: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -467.175405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.175405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.175405 (E_RNA)
where:
Base-Base interactions energy: -302.418
where: short stacking energy: -132.593
Base-Backbone interact. energy: -0.214
local terms energy: -164.543394
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -33.583
flat angles C4'-P-C4' energy: -35.064
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: -38.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -389.470245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.470245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.470245 (E_RNA)
where:
Base-Base interactions energy: -238.326
where: short stacking energy: -120.290
Base-Backbone interact. energy: 0.170
local terms energy: -151.314233
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -30.225
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -26.361
tors. eta vs tors. theta energy: -25.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -256.545381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.545381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.545381 (E_RNA)
where:
Base-Base interactions energy: -126.726
where: short stacking energy: -67.370
Base-Backbone interact. energy: 3.365
local terms energy: -133.184430
where:
bonds (distance) C4'-P energy: -37.303
bonds (distance) P-C4' energy: -32.041
flat angles C4'-P-C4' energy: -36.724
flat angles P-C4'-P energy: -26.726
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -165.016829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.016829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.016829 (E_RNA)
where:
Base-Base interactions energy: -45.160
where: short stacking energy: -40.792
Base-Backbone interact. energy: -0.747
local terms energy: -119.109818
where:
bonds (distance) C4'-P energy: -39.695
bonds (distance) P-C4' energy: -41.976
flat angles C4'-P-C4' energy: -32.584
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: 14.433
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: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -650.706883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.706883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.706883 (E_RNA)
where:
Base-Base interactions energy: -447.120
where: short stacking energy: -195.793
Base-Backbone interact. energy: -0.454
local terms energy: -203.132487
where:
bonds (distance) C4'-P energy: -39.852
bonds (distance) P-C4' energy: -38.195
flat angles C4'-P-C4' energy: -43.581
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -55.011
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: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -647.296761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.296761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.296761 (E_RNA)
where:
Base-Base interactions energy: -431.043
where: short stacking energy: -187.534
Base-Backbone interact. energy: -0.040
local terms energy: -216.213879
where:
bonds (distance) C4'-P energy: -40.829
bonds (distance) P-C4' energy: -34.608
flat angles C4'-P-C4' energy: -44.501
flat angles P-C4'-P energy: -33.334
tors. eta vs tors. theta energy: -62.943
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: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -631.247021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.247021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.247021 (E_RNA)
where:
Base-Base interactions energy: -429.677
where: short stacking energy: -189.075
Base-Backbone interact. energy: -0.140
local terms energy: -201.429357
where:
bonds (distance) C4'-P energy: -40.902
bonds (distance) P-C4' energy: -31.718
flat angles C4'-P-C4' energy: -39.610
flat angles P-C4'-P energy: -32.659
tors. eta vs tors. theta energy: -56.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -565.938650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.938650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.938650 (E_RNA)
where:
Base-Base interactions energy: -378.052
where: short stacking energy: -157.843
Base-Backbone interact. energy: -0.097
local terms energy: -187.790346
where:
bonds (distance) C4'-P energy: -39.693
bonds (distance) P-C4' energy: -38.069
flat angles C4'-P-C4' energy: -41.405
flat angles P-C4'-P energy: -25.498
tors. eta vs tors. theta energy: -43.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -550.859182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.859182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.859182 (E_RNA)
where:
Base-Base interactions energy: -366.489
where: short stacking energy: -180.246
Base-Backbone interact. energy: 0.705
local terms energy: -185.075114
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -32.274
flat angles C4'-P-C4' energy: -43.400
flat angles P-C4'-P energy: -29.221
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: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -467.953181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.953181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.953181 (E_RNA)
where:
Base-Base interactions energy: -311.158
where: short stacking energy: -153.502
Base-Backbone interact. energy: 2.246
local terms energy: -159.041972
where:
bonds (distance) C4'-P energy: -33.654
bonds (distance) P-C4' energy: -34.170
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -22.053
tors. eta vs tors. theta energy: -38.237
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: 335
Temperature: 1.200000
Total energy: -398.405141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.405141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.405141 (E_RNA)
where:
Base-Base interactions energy: -261.056
where: short stacking energy: -108.651
Base-Backbone interact. energy: -0.845
local terms energy: -136.503837
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -32.171
flat angles C4'-P-C4' energy: -30.797
flat angles P-C4'-P energy: -19.473
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -369.485213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.485213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.485213 (E_RNA)
where:
Base-Base interactions energy: -229.852
where: short stacking energy: -115.661
Base-Backbone interact. energy: 0.078
local terms energy: -139.711715
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -28.259
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: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -266.930055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.930055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.930055 (E_RNA)
where:
Base-Base interactions energy: -146.485
where: short stacking energy: -86.006
Base-Backbone interact. energy: -0.287
local terms energy: -120.157871
where:
bonds (distance) C4'-P energy: -34.438
bonds (distance) P-C4' energy: -32.210
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -170.540900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.540900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.540900 (E_RNA)
where:
Base-Base interactions energy: -63.124
where: short stacking energy: -51.870
Base-Backbone interact. energy: 3.529
local terms energy: -110.945984
where:
bonds (distance) C4'-P energy: -35.582
bonds (distance) P-C4' energy: -41.631
flat angles C4'-P-C4' energy: -26.730
flat angles P-C4'-P energy: -10.522
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: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -663.431787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.431787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.431787 (E_RNA)
where:
Base-Base interactions energy: -452.208
where: short stacking energy: -203.250
Base-Backbone interact. energy: 0.247
local terms energy: -211.470952
where:
bonds (distance) C4'-P energy: -35.866
bonds (distance) P-C4' energy: -45.375
flat angles C4'-P-C4' energy: -45.248
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -54.488
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: 336
Temperature: 0.950000
Total energy: -649.308476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.308476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.308476 (E_RNA)
where:
Base-Base interactions energy: -441.342
where: short stacking energy: -185.164
Base-Backbone interact. energy: -0.039
local terms energy: -207.927430
where:
bonds (distance) C4'-P energy: -43.013
bonds (distance) P-C4' energy: -35.020
flat angles C4'-P-C4' energy: -43.666
flat angles P-C4'-P energy: -32.490
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: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -615.504193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.504193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.504193 (E_RNA)
where:
Base-Base interactions energy: -409.349
where: short stacking energy: -170.084
Base-Backbone interact. energy: 1.830
local terms energy: -207.984820
where:
bonds (distance) C4'-P energy: -37.549
bonds (distance) P-C4' energy: -43.599
flat angles C4'-P-C4' energy: -40.162
flat angles P-C4'-P energy: -32.804
tors. eta vs tors. theta energy: -53.871
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: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -594.685631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.685631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.685631 (E_RNA)
where:
Base-Base interactions energy: -399.706
where: short stacking energy: -185.021
Base-Backbone interact. energy: -1.145
local terms energy: -193.835071
where:
bonds (distance) C4'-P energy: -36.257
bonds (distance) P-C4' energy: -41.013
flat angles C4'-P-C4' energy: -36.357
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -54.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -546.197374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.197374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.197374 (E_RNA)
where:
Base-Base interactions energy: -369.008
where: short stacking energy: -160.723
Base-Backbone interact. energy: -1.653
local terms energy: -175.536872
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -36.552
flat angles C4'-P-C4' energy: -42.241
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -44.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -469.154600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.154600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.154600 (E_RNA)
where:
Base-Base interactions energy: -308.291
where: short stacking energy: -147.903
Base-Backbone interact. energy: -0.572
local terms energy: -160.291523
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -34.146
flat angles C4'-P-C4' energy: -34.995
flat angles P-C4'-P energy: -29.212
tors. eta vs tors. theta energy: -32.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -428.494059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.494059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.494059 (E_RNA)
where:
Base-Base interactions energy: -279.177
where: short stacking energy: -116.954
Base-Backbone interact. energy: -1.077
local terms energy: -148.240303
where:
bonds (distance) C4'-P energy: -37.193
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -36.278
flat angles P-C4'-P energy: -23.758
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -371.424030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.424030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.424030 (E_RNA)
where:
Base-Base interactions energy: -231.084
where: short stacking energy: -111.712
Base-Backbone interact. energy: 1.091
local terms energy: -141.431212
where:
bonds (distance) C4'-P energy: -31.234
bonds (distance) P-C4' energy: -28.639
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -29.627
tors. eta vs tors. theta energy: -20.655
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: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -263.087679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.087679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.087679 (E_RNA)
where:
Base-Base interactions energy: -132.268
where: short stacking energy: -81.686
Base-Backbone interact. energy: -0.388
local terms energy: -130.431540
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -35.815
flat angles C4'-P-C4' energy: -37.175
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -16.411
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: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -193.214849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.214849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.214849 (E_RNA)
where:
Base-Base interactions energy: -88.636
where: short stacking energy: -57.995
Base-Backbone interact. energy: 0.204
local terms energy: -104.782762
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -30.303
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: 4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -647.804903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.804903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.804903 (E_RNA)
where:
Base-Base interactions energy: -445.841
where: short stacking energy: -192.968
Base-Backbone interact. energy: 0.450
local terms energy: -202.414857
where:
bonds (distance) C4'-P energy: -35.450
bonds (distance) P-C4' energy: -42.122
flat angles C4'-P-C4' energy: -44.025
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -51.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -623.890500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.890500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.890500 (E_RNA)
where:
Base-Base interactions energy: -424.744
where: short stacking energy: -172.153
Base-Backbone interact. energy: 1.372
local terms energy: -200.518924
where:
bonds (distance) C4'-P energy: -37.305
bonds (distance) P-C4' energy: -38.670
flat angles C4'-P-C4' energy: -38.794
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -52.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -637.839278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.839278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.839278 (E_RNA)
where:
Base-Base interactions energy: -427.234
where: short stacking energy: -187.115
Base-Backbone interact. energy: -0.040
local terms energy: -210.564918
where:
bonds (distance) C4'-P energy: -38.428
bonds (distance) P-C4' energy: -41.963
flat angles C4'-P-C4' energy: -41.035
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -62.978
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: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -598.282629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.282629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.282629 (E_RNA)
where:
Base-Base interactions energy: -402.415
where: short stacking energy: -174.427
Base-Backbone interact. energy: -0.542
local terms energy: -195.325476
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -35.219
flat angles C4'-P-C4' energy: -48.100
flat angles P-C4'-P energy: -24.592
tors. eta vs tors. theta energy: -55.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -544.779468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.779468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.779468 (E_RNA)
where:
Base-Base interactions energy: -353.701
where: short stacking energy: -167.559
Base-Backbone interact. energy: -0.257
local terms energy: -190.821360
where:
bonds (distance) C4'-P energy: -41.369
bonds (distance) P-C4' energy: -30.143
flat angles C4'-P-C4' energy: -42.361
flat angles P-C4'-P energy: -28.668
tors. eta vs tors. theta energy: -48.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -476.423379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.423379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.423379 (E_RNA)
where:
Base-Base interactions energy: -300.637
where: short stacking energy: -145.045
Base-Backbone interact. energy: 0.356
local terms energy: -176.142759
where:
bonds (distance) C4'-P energy: -35.811
bonds (distance) P-C4' energy: -39.024
flat angles C4'-P-C4' energy: -35.038
flat angles P-C4'-P energy: -28.109
tors. eta vs tors. theta energy: -38.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -437.902531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.902531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.902531 (E_RNA)
where:
Base-Base interactions energy: -293.379
where: short stacking energy: -124.608
Base-Backbone interact. energy: -0.837
local terms energy: -143.686747
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -36.056
flat angles P-C4'-P energy: -24.079
tors. eta vs tors. theta energy: -30.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -367.432462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.432462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.432462 (E_RNA)
where:
Base-Base interactions energy: -225.222
where: short stacking energy: -110.909
Base-Backbone interact. energy: -0.295
local terms energy: -141.915660
where:
bonds (distance) C4'-P energy: -34.901
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -32.219
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -274.205507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.205507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.205507 (E_RNA)
where:
Base-Base interactions energy: -155.923
where: short stacking energy: -80.559
Base-Backbone interact. energy: -0.837
local terms energy: -117.445288
where:
bonds (distance) C4'-P energy: -25.066
bonds (distance) P-C4' energy: -37.612
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -192.106620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.106620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.106620 (E_RNA)
where:
Base-Base interactions energy: -81.389
where: short stacking energy: -70.896
Base-Backbone interact. energy: 1.461
local terms energy: -112.178282
where:
bonds (distance) C4'-P energy: -36.748
bonds (distance) P-C4' energy: -31.962
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -1.954
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: 338
Temperature: 0.900000
Total energy: -649.210963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.210963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.210963 (E_RNA)
where:
Base-Base interactions energy: -442.475
where: short stacking energy: -187.314
Base-Backbone interact. energy: -0.463
local terms energy: -206.273279
where:
bonds (distance) C4'-P energy: -39.259
bonds (distance) P-C4' energy: -39.485
flat angles C4'-P-C4' energy: -44.736
flat angles P-C4'-P energy: -26.986
tors. eta vs tors. theta energy: -55.807
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: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -639.606905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.606905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.606905 (E_RNA)
where:
Base-Base interactions energy: -433.895
where: short stacking energy: -190.880
Base-Backbone interact. energy: -0.628
local terms energy: -205.083297
where:
bonds (distance) C4'-P energy: -37.007
bonds (distance) P-C4' energy: -43.863
flat angles C4'-P-C4' energy: -43.898
flat angles P-C4'-P energy: -30.233
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: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -626.354404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.354404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.354404 (E_RNA)
where:
Base-Base interactions energy: -434.771
where: short stacking energy: -183.928
Base-Backbone interact. energy: -0.672
local terms energy: -190.911273
where:
bonds (distance) C4'-P energy: -39.936
bonds (distance) P-C4' energy: -41.139
flat angles C4'-P-C4' energy: -38.667
flat angles P-C4'-P energy: -18.847
tors. eta vs tors. theta energy: -52.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -587.761838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.761838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.761838 (E_RNA)
where:
Base-Base interactions energy: -386.542
where: short stacking energy: -179.858
Base-Backbone interact. energy: -1.063
local terms energy: -200.156641
where:
bonds (distance) C4'-P energy: -41.197
bonds (distance) P-C4' energy: -33.341
flat angles C4'-P-C4' energy: -43.015
flat angles P-C4'-P energy: -30.581
tors. eta vs tors. theta energy: -52.023
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: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -566.581157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.581157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.581157 (E_RNA)
where:
Base-Base interactions energy: -374.480
where: short stacking energy: -181.432
Base-Backbone interact. energy: -0.688
local terms energy: -191.413593
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -37.032
flat angles C4'-P-C4' energy: -39.712
flat angles P-C4'-P energy: -29.868
tors. eta vs tors. theta energy: -49.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -471.612477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.612477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.612477 (E_RNA)
where:
Base-Base interactions energy: -323.602
where: short stacking energy: -132.699
Base-Backbone interact. energy: 2.238
local terms energy: -150.248698
where:
bonds (distance) C4'-P energy: -33.339
bonds (distance) P-C4' energy: -35.882
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -31.642
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: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -469.253956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.253956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.253956 (E_RNA)
where:
Base-Base interactions energy: -314.982
where: short stacking energy: -127.799
Base-Backbone interact. energy: 0.114
local terms energy: -154.385473
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -41.941
flat angles C4'-P-C4' energy: -30.960
flat angles P-C4'-P energy: -25.345
tors. eta vs tors. theta energy: -28.785
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: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -385.830826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.830826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.830826 (E_RNA)
where:
Base-Base interactions energy: -243.181
where: short stacking energy: -103.408
Base-Backbone interact. energy: -0.220
local terms energy: -142.430199
where:
bonds (distance) C4'-P energy: -38.193
bonds (distance) P-C4' energy: -35.833
flat angles C4'-P-C4' energy: -33.653
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -24.636
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: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -191.735700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.735700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.735700 (E_RNA)
where:
Base-Base interactions energy: -68.154
where: short stacking energy: -61.973
Base-Backbone interact. energy: -1.637
local terms energy: -121.944441
where:
bonds (distance) C4'-P energy: -37.437
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: -8.208
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: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -262.741622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.741622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.741622 (E_RNA)
where:
Base-Base interactions energy: -133.166
where: short stacking energy: -70.578
Base-Backbone interact. energy: -1.147
local terms energy: -128.428554
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -30.733
flat angles C4'-P-C4' energy: -34.026
flat angles P-C4'-P energy: -24.870
tors. eta vs tors. theta energy: -7.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -661.358005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.358005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.358005 (E_RNA)
where:
Base-Base interactions energy: -445.151
where: short stacking energy: -190.647
Base-Backbone interact. energy: 0.412
local terms energy: -216.619658
where:
bonds (distance) C4'-P energy: -44.749
bonds (distance) P-C4' energy: -37.831
flat angles C4'-P-C4' energy: -44.747
flat angles P-C4'-P energy: -33.229
tors. eta vs tors. theta energy: -56.064
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: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -629.323622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.323622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.323622 (E_RNA)
where:
Base-Base interactions energy: -433.051
where: short stacking energy: -182.048
Base-Backbone interact. energy: 0.603
local terms energy: -196.875882
where:
bonds (distance) C4'-P energy: -30.121
bonds (distance) P-C4' energy: -39.911
flat angles C4'-P-C4' energy: -44.331
flat angles P-C4'-P energy: -29.125
tors. eta vs tors. theta energy: -53.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -619.491963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.491963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.491963 (E_RNA)
where:
Base-Base interactions energy: -419.635
where: short stacking energy: -183.303
Base-Backbone interact. energy: -0.124
local terms energy: -199.733015
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -37.843
flat angles C4'-P-C4' energy: -43.373
flat angles P-C4'-P energy: -29.278
tors. eta vs tors. theta energy: -55.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -563.605808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.605808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.605808 (E_RNA)
where:
Base-Base interactions energy: -376.981
where: short stacking energy: -185.023
Base-Backbone interact. energy: -0.124
local terms energy: -186.501094
where:
bonds (distance) C4'-P energy: -39.588
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -43.205
flat angles P-C4'-P energy: -25.205
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: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -560.708413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.708413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.708413 (E_RNA)
where:
Base-Base interactions energy: -368.617
where: short stacking energy: -166.793
Base-Backbone interact. energy: -0.569
local terms energy: -191.522594
where:
bonds (distance) C4'-P energy: -41.055
bonds (distance) P-C4' energy: -37.058
flat angles C4'-P-C4' energy: -39.924
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: -48.104
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: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -479.986164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.986164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.986164 (E_RNA)
where:
Base-Base interactions energy: -318.817
where: short stacking energy: -133.917
Base-Backbone interact. energy: -2.468
local terms energy: -158.700549
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -39.507
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -29.338
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: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -485.891952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.891952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.891952 (E_RNA)
where:
Base-Base interactions energy: -330.157
where: short stacking energy: -123.463
Base-Backbone interact. energy: -0.311
local terms energy: -155.423548
where:
bonds (distance) C4'-P energy: -32.455
bonds (distance) P-C4' energy: -42.737
flat angles C4'-P-C4' energy: -33.986
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -27.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -355.298640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.298640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.298640 (E_RNA)
where:
Base-Base interactions energy: -224.587
where: short stacking energy: -105.756
Base-Backbone interact. energy: -0.309
local terms energy: -130.402504
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -28.049
flat angles C4'-P-C4' energy: -33.466
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -25.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -204.284231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.284231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.284231 (E_RNA)
where:
Base-Base interactions energy: -95.016
where: short stacking energy: -61.908
Base-Backbone interact. energy: 0.595
local terms energy: -109.863695
where:
bonds (distance) C4'-P energy: -30.710
bonds (distance) P-C4' energy: -33.209
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -20.261
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -239.772128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.772128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.772128 (E_RNA)
where:
Base-Base interactions energy: -136.814
where: short stacking energy: -76.168
Base-Backbone interact. energy: 1.840
local terms energy: -104.798354
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -33.256
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -4.241
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: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -648.517765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.517765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.517765 (E_RNA)
where:
Base-Base interactions energy: -442.654
where: short stacking energy: -190.451
Base-Backbone interact. energy: 1.446
local terms energy: -207.309607
where:
bonds (distance) C4'-P energy: -33.437
bonds (distance) P-C4' energy: -43.621
flat angles C4'-P-C4' energy: -45.796
flat angles P-C4'-P energy: -30.982
tors. eta vs tors. theta energy: -53.474
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: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -639.488308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.488308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.488308 (E_RNA)
where:
Base-Base interactions energy: -445.601
where: short stacking energy: -191.144
Base-Backbone interact. energy: -1.200
local terms energy: -192.688087
where:
bonds (distance) C4'-P energy: -32.012
bonds (distance) P-C4' energy: -44.961
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -25.895
tors. eta vs tors. theta energy: -53.026
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: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -618.358467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.358467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.358467 (E_RNA)
where:
Base-Base interactions energy: -422.367
where: short stacking energy: -184.653
Base-Backbone interact. energy: -0.384
local terms energy: -195.607325
where:
bonds (distance) C4'-P energy: -28.556
bonds (distance) P-C4' energy: -42.842
flat angles C4'-P-C4' energy: -43.491
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -55.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -565.661101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.661101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.661101 (E_RNA)
where:
Base-Base interactions energy: -370.793
where: short stacking energy: -182.870
Base-Backbone interact. energy: -0.106
local terms energy: -194.762384
where:
bonds (distance) C4'-P energy: -32.029
bonds (distance) P-C4' energy: -36.531
flat angles C4'-P-C4' energy: -40.056
flat angles P-C4'-P energy: -28.072
tors. eta vs tors. theta energy: -58.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -566.496172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.496172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.496172 (E_RNA)
where:
Base-Base interactions energy: -395.539
where: short stacking energy: -167.004
Base-Backbone interact. energy: -0.130
local terms energy: -170.827234
where:
bonds (distance) C4'-P energy: -35.682
bonds (distance) P-C4' energy: -26.907
flat angles C4'-P-C4' energy: -40.463
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -47.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -494.830452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.830452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.830452 (E_RNA)
where:
Base-Base interactions energy: -330.010
where: short stacking energy: -131.318
Base-Backbone interact. energy: -0.124
local terms energy: -164.696329
where:
bonds (distance) C4'-P energy: -37.639
bonds (distance) P-C4' energy: -37.015
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -31.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -462.677264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.677264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.677264 (E_RNA)
where:
Base-Base interactions energy: -314.100
where: short stacking energy: -137.677
Base-Backbone interact. energy: -0.576
local terms energy: -148.001628
where:
bonds (distance) C4'-P energy: -33.333
bonds (distance) P-C4' energy: -32.696
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -32.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -336.141967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.141967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.141967 (E_RNA)
where:
Base-Base interactions energy: -201.880
where: short stacking energy: -85.666
Base-Backbone interact. energy: -0.771
local terms energy: -133.490987
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -40.405
flat angles C4'-P-C4' energy: -34.893
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -14.009
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: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -251.683382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.683382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.683382 (E_RNA)
where:
Base-Base interactions energy: -133.684
where: short stacking energy: -75.172
Base-Backbone interact. energy: -0.760
local terms energy: -117.240109
where:
bonds (distance) C4'-P energy: -28.556
bonds (distance) P-C4' energy: -30.827
flat angles C4'-P-C4' energy: -29.330
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: -6.035
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: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -188.852445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.852445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.852445 (E_RNA)
where:
Base-Base interactions energy: -75.992
where: short stacking energy: -57.946
Base-Backbone interact. energy: -1.088
local terms energy: -111.771739
where:
bonds (distance) C4'-P energy: -31.902
bonds (distance) P-C4' energy: -35.086
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -1.694
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: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -647.869244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.869244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.869244 (E_RNA)
where:
Base-Base interactions energy: -436.363
where: short stacking energy: -179.784
Base-Backbone interact. energy: -0.006
local terms energy: -211.499949
where:
bonds (distance) C4'-P energy: -43.279
bonds (distance) P-C4' energy: -43.446
flat angles C4'-P-C4' energy: -43.357
flat angles P-C4'-P energy: -30.397
tors. eta vs tors. theta energy: -51.021
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: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -644.139823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.139823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.139823 (E_RNA)
where:
Base-Base interactions energy: -434.677
where: short stacking energy: -190.050
Base-Backbone interact. energy: -0.249
local terms energy: -209.214361
where:
bonds (distance) C4'-P energy: -39.492
bonds (distance) P-C4' energy: -45.344
flat angles C4'-P-C4' energy: -42.082
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -58.670
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: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -608.576910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.576910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.576910 (E_RNA)
where:
Base-Base interactions energy: -427.193
where: short stacking energy: -187.868
Base-Backbone interact. energy: -0.215
local terms energy: -181.169296
where:
bonds (distance) C4'-P energy: -30.205
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -33.633
flat angles P-C4'-P energy: -29.800
tors. eta vs tors. theta energy: -56.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -580.874356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.874356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.874356 (E_RNA)
where:
Base-Base interactions energy: -384.994
where: short stacking energy: -186.546
Base-Backbone interact. energy: -0.098
local terms energy: -195.782009
where:
bonds (distance) C4'-P energy: -33.870
bonds (distance) P-C4' energy: -32.684
flat angles C4'-P-C4' energy: -45.936
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -61.367
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: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -561.583628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.583628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.583628 (E_RNA)
where:
Base-Base interactions energy: -369.506
where: short stacking energy: -160.958
Base-Backbone interact. energy: -0.530
local terms energy: -191.546843
where:
bonds (distance) C4'-P energy: -34.048
bonds (distance) P-C4' energy: -40.500
flat angles C4'-P-C4' energy: -38.660
flat angles P-C4'-P energy: -25.968
tors. eta vs tors. theta energy: -52.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -505.613318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.613318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.613318 (E_RNA)
where:
Base-Base interactions energy: -343.108
where: short stacking energy: -145.460
Base-Backbone interact. energy: -0.685
local terms energy: -161.819757
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -32.924
flat angles C4'-P-C4' energy: -33.007
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -38.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -442.720996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.720996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.720996 (E_RNA)
where:
Base-Base interactions energy: -300.474
where: short stacking energy: -140.229
Base-Backbone interact. energy: -0.604
local terms energy: -141.643466
where:
bonds (distance) C4'-P energy: -29.379
bonds (distance) P-C4' energy: -36.254
flat angles C4'-P-C4' energy: -34.995
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -27.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -321.361466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.361466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.361466 (E_RNA)
where:
Base-Base interactions energy: -192.760
where: short stacking energy: -97.598
Base-Backbone interact. energy: -0.468
local terms energy: -128.134307
where:
bonds (distance) C4'-P energy: -36.121
bonds (distance) P-C4' energy: -36.815
flat angles C4'-P-C4' energy: -28.895
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -5.017
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: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -252.063428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.063428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.063428 (E_RNA)
where:
Base-Base interactions energy: -127.398
where: short stacking energy: -74.680
Base-Backbone interact. energy: 0.305
local terms energy: -124.970457
where:
bonds (distance) C4'-P energy: -29.685
bonds (distance) P-C4' energy: -41.165
flat angles C4'-P-C4' energy: -32.941
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -179.291875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.291875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.291875 (E_RNA)
where:
Base-Base interactions energy: -73.090
where: short stacking energy: -54.750
Base-Backbone interact. energy: -0.896
local terms energy: -105.306104
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -41.048
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: 2.228
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: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -652.637531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.637531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.637531 (E_RNA)
where:
Base-Base interactions energy: -447.357
where: short stacking energy: -200.921
Base-Backbone interact. energy: -0.017
local terms energy: -205.264160
where:
bonds (distance) C4'-P energy: -36.945
bonds (distance) P-C4' energy: -37.244
flat angles C4'-P-C4' energy: -43.521
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -56.895
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: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -641.986613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.986613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.986613 (E_RNA)
where:
Base-Base interactions energy: -436.683
where: short stacking energy: -189.465
Base-Backbone interact. energy: 0.719
local terms energy: -206.022431
where:
bonds (distance) C4'-P energy: -37.361
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -46.549
flat angles P-C4'-P energy: -28.856
tors. eta vs tors. theta energy: -53.115
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: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -589.577428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.577428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.577428 (E_RNA)
where:
Base-Base interactions energy: -378.191
where: short stacking energy: -191.678
Base-Backbone interact. energy: -0.619
local terms energy: -210.766632
where:
bonds (distance) C4'-P energy: -39.896
bonds (distance) P-C4' energy: -37.068
flat angles C4'-P-C4' energy: -42.940
flat angles P-C4'-P energy: -29.698
tors. eta vs tors. theta energy: -61.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -598.693335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.693335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.693335 (E_RNA)
where:
Base-Base interactions energy: -407.580
where: short stacking energy: -169.291
Base-Backbone interact. energy: -1.587
local terms energy: -189.526622
where:
bonds (distance) C4'-P energy: -35.930
bonds (distance) P-C4' energy: -37.621
flat angles C4'-P-C4' energy: -38.420
flat angles P-C4'-P energy: -28.087
tors. eta vs tors. theta energy: -49.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -513.873783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.873783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.873783 (E_RNA)
where:
Base-Base interactions energy: -350.181
where: short stacking energy: -153.964
Base-Backbone interact. energy: 3.533
local terms energy: -167.226357
where:
bonds (distance) C4'-P energy: -35.223
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -36.496
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -44.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -445.309023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.309023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.309023 (E_RNA)
where:
Base-Base interactions energy: -294.219
where: short stacking energy: -136.727
Base-Backbone interact. energy: -0.171
local terms energy: -150.919098
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -31.462
flat angles C4'-P-C4' energy: -38.521
flat angles P-C4'-P energy: -17.443
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: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -444.509244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.509244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.509244 (E_RNA)
where:
Base-Base interactions energy: -281.290
where: short stacking energy: -130.425
Base-Backbone interact. energy: -0.656
local terms energy: -162.563760
where:
bonds (distance) C4'-P energy: -40.124
bonds (distance) P-C4' energy: -43.686
flat angles C4'-P-C4' energy: -28.951
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -34.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -351.507772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.507772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.507772 (E_RNA)
where:
Base-Base interactions energy: -218.699
where: short stacking energy: -99.969
Base-Backbone interact. energy: 0.720
local terms energy: -133.528433
where:
bonds (distance) C4'-P energy: -35.555
bonds (distance) P-C4' energy: -36.775
flat angles C4'-P-C4' energy: -29.944
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -23.646
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: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -181.580277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.580277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.580277 (E_RNA)
where:
Base-Base interactions energy: -70.413
where: short stacking energy: -49.998
Base-Backbone interact. energy: 0.134
local terms energy: -111.301886
where:
bonds (distance) C4'-P energy: -34.900
bonds (distance) P-C4' energy: -32.195
flat angles C4'-P-C4' energy: -28.791
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -3.578
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: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -249.306271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.306271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.306271 (E_RNA)
where:
Base-Base interactions energy: -128.231
where: short stacking energy: -58.052
Base-Backbone interact. energy: -1.368
local terms energy: -119.707155
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -34.155
flat angles C4'-P-C4' energy: -35.643
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: 1.628
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: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -662.737963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.737963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.737963 (E_RNA)
where:
Base-Base interactions energy: -460.234
where: short stacking energy: -206.654
Base-Backbone interact. energy: -0.545
local terms energy: -201.958805
where:
bonds (distance) C4'-P energy: -40.766
bonds (distance) P-C4' energy: -34.610
flat angles C4'-P-C4' energy: -41.770
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -62.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -647.447347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.447347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.447347 (E_RNA)
where:
Base-Base interactions energy: -445.206
where: short stacking energy: -184.817
Base-Backbone interact. energy: -1.908
local terms energy: -200.333334
where:
bonds (distance) C4'-P energy: -35.435
bonds (distance) P-C4' energy: -40.544
flat angles C4'-P-C4' energy: -43.181
flat angles P-C4'-P energy: -32.078
tors. eta vs tors. theta energy: -49.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -567.476259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.476259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.476259 (E_RNA)
where:
Base-Base interactions energy: -383.255
where: short stacking energy: -159.909
Base-Backbone interact. energy: 0.993
local terms energy: -185.213530
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -37.952
flat angles C4'-P-C4' energy: -40.012
flat angles P-C4'-P energy: -27.167
tors. eta vs tors. theta energy: -47.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -586.335249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.335249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.335249 (E_RNA)
where:
Base-Base interactions energy: -388.890
where: short stacking energy: -168.634
Base-Backbone interact. energy: -0.193
local terms energy: -197.252101
where:
bonds (distance) C4'-P energy: -40.272
bonds (distance) P-C4' energy: -40.347
flat angles C4'-P-C4' energy: -42.511
flat angles P-C4'-P energy: -27.683
tors. eta vs tors. theta energy: -46.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -512.369195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.369195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.369195 (E_RNA)
where:
Base-Base interactions energy: -342.067
where: short stacking energy: -166.547
Base-Backbone interact. energy: -0.877
local terms energy: -169.425929
where:
bonds (distance) C4'-P energy: -36.142
bonds (distance) P-C4' energy: -31.388
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -28.950
tors. eta vs tors. theta energy: -38.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -479.439418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.439418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.439418 (E_RNA)
where:
Base-Base interactions energy: -332.592
where: short stacking energy: -165.715
Base-Backbone interact. energy: 1.991
local terms energy: -148.838639
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -33.970
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -41.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -401.749776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.749776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.749776 (E_RNA)
where:
Base-Base interactions energy: -272.764
where: short stacking energy: -128.322
Base-Backbone interact. energy: -0.487
local terms energy: -128.498083
where:
bonds (distance) C4'-P energy: -31.606
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -24.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -331.332477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.332477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.332477 (E_RNA)
where:
Base-Base interactions energy: -187.510
where: short stacking energy: -86.474
Base-Backbone interact. energy: -0.731
local terms energy: -143.091522
where:
bonds (distance) C4'-P energy: -31.380
bonds (distance) P-C4' energy: -41.360
flat angles C4'-P-C4' energy: -34.925
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -183.533274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.533274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.533274 (E_RNA)
where:
Base-Base interactions energy: -70.867
where: short stacking energy: -64.491
Base-Backbone interact. energy: -1.173
local terms energy: -111.493672
where:
bonds (distance) C4'-P energy: -25.058
bonds (distance) P-C4' energy: -30.399
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -248.860948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.860948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.860948 (E_RNA)
where:
Base-Base interactions energy: -139.796
where: short stacking energy: -68.731
Base-Backbone interact. energy: -1.964
local terms energy: -107.100623
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -657.844740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.844740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.844740 (E_RNA)
where:
Base-Base interactions energy: -464.155
where: short stacking energy: -182.919
Base-Backbone interact. energy: 0.145
local terms energy: -193.834739
where:
bonds (distance) C4'-P energy: -31.140
bonds (distance) P-C4' energy: -39.397
flat angles C4'-P-C4' energy: -43.860
flat angles P-C4'-P energy: -30.797
tors. eta vs tors. theta energy: -48.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -641.570935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.570935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.570935 (E_RNA)
where:
Base-Base interactions energy: -430.698
where: short stacking energy: -197.749
Base-Backbone interact. energy: -0.005
local terms energy: -210.867564
where:
bonds (distance) C4'-P energy: -37.460
bonds (distance) P-C4' energy: -35.943
flat angles C4'-P-C4' energy: -42.890
flat angles P-C4'-P energy: -32.324
tors. eta vs tors. theta energy: -62.250
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: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -602.715673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.715673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.715673 (E_RNA)
where:
Base-Base interactions energy: -404.394
where: short stacking energy: -179.570
Base-Backbone interact. energy: -0.145
local terms energy: -198.176732
where:
bonds (distance) C4'-P energy: -34.504
bonds (distance) P-C4' energy: -40.934
flat angles C4'-P-C4' energy: -40.276
flat angles P-C4'-P energy: -29.140
tors. eta vs tors. theta energy: -53.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -570.682666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.682666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.682666 (E_RNA)
where:
Base-Base interactions energy: -366.900
where: short stacking energy: -178.564
Base-Backbone interact. energy: -0.402
local terms energy: -203.380124
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -37.139
flat angles C4'-P-C4' energy: -43.574
flat angles P-C4'-P energy: -32.682
tors. eta vs tors. theta energy: -50.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -490.383717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.383717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.383717 (E_RNA)
where:
Base-Base interactions energy: -314.229
where: short stacking energy: -153.023
Base-Backbone interact. energy: -0.974
local terms energy: -175.180477
where:
bonds (distance) C4'-P energy: -35.299
bonds (distance) P-C4' energy: -40.094
flat angles C4'-P-C4' energy: -38.853
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -36.451
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: 344
Temperature: 1.150000
Total energy: -461.827361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.827361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.827361 (E_RNA)
where:
Base-Base interactions energy: -304.907
where: short stacking energy: -136.274
Base-Backbone interact. energy: 0.325
local terms energy: -157.244688
where:
bonds (distance) C4'-P energy: -33.235
bonds (distance) P-C4' energy: -37.079
flat angles C4'-P-C4' energy: -38.777
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -32.504
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: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -401.925759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.925759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.925759 (E_RNA)
where:
Base-Base interactions energy: -247.920
where: short stacking energy: -114.286
Base-Backbone interact. energy: 1.588
local terms energy: -155.594388
where:
bonds (distance) C4'-P energy: -39.286
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -377.898359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.898359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.898359 (E_RNA)
where:
Base-Base interactions energy: -236.707
where: short stacking energy: -114.867
Base-Backbone interact. energy: -0.473
local terms energy: -140.717669
where:
bonds (distance) C4'-P energy: -33.166
bonds (distance) P-C4' energy: -38.090
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -256.141926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.141926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.141926 (E_RNA)
where:
Base-Base interactions energy: -124.364
where: short stacking energy: -59.332
Base-Backbone interact. energy: 1.365
local terms energy: -133.142884
where:
bonds (distance) C4'-P energy: -31.979
bonds (distance) P-C4' energy: -32.609
flat angles C4'-P-C4' energy: -39.117
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -10.850
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: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -170.608488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.608488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.608488 (E_RNA)
where:
Base-Base interactions energy: -49.047
where: short stacking energy: -46.646
Base-Backbone interact. energy: 1.214
local terms energy: -122.774786
where:
bonds (distance) C4'-P energy: -35.275
bonds (distance) P-C4' energy: -32.612
flat angles C4'-P-C4' energy: -28.161
flat angles P-C4'-P energy: -28.362
tors. eta vs tors. theta energy: 1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -658.623197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.623197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.623197 (E_RNA)
where:
Base-Base interactions energy: -449.177
where: short stacking energy: -172.691
Base-Backbone interact. energy: -1.764
local terms energy: -207.681671
where:
bonds (distance) C4'-P energy: -40.966
bonds (distance) P-C4' energy: -44.821
flat angles C4'-P-C4' energy: -42.861
flat angles P-C4'-P energy: -28.845
tors. eta vs tors. theta energy: -50.189
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: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -654.907672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.907672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.907672 (E_RNA)
where:
Base-Base interactions energy: -447.496
where: short stacking energy: -195.194
Base-Backbone interact. energy: -1.295
local terms energy: -206.116239
where:
bonds (distance) C4'-P energy: -36.705
bonds (distance) P-C4' energy: -37.823
flat angles C4'-P-C4' energy: -43.312
flat angles P-C4'-P energy: -29.781
tors. eta vs tors. theta energy: -58.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -585.705550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.705550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.705550 (E_RNA)
where:
Base-Base interactions energy: -395.096
where: short stacking energy: -172.136
Base-Backbone interact. energy: -0.868
local terms energy: -189.741531
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -36.808
flat angles C4'-P-C4' energy: -41.578
flat angles P-C4'-P energy: -25.836
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: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -595.737317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.737317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.737317 (E_RNA)
where:
Base-Base interactions energy: -389.130
where: short stacking energy: -178.543
Base-Backbone interact. energy: -0.015
local terms energy: -206.592758
where:
bonds (distance) C4'-P energy: -37.052
bonds (distance) P-C4' energy: -35.810
flat angles C4'-P-C4' energy: -42.649
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: -56.700
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: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -505.218501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.218501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.218501 (E_RNA)
where:
Base-Base interactions energy: -325.895
where: short stacking energy: -157.293
Base-Backbone interact. energy: -0.033
local terms energy: -179.290635
where:
bonds (distance) C4'-P energy: -33.725
bonds (distance) P-C4' energy: -37.042
flat angles C4'-P-C4' energy: -40.499
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -44.450
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: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -483.106035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.106035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.106035 (E_RNA)
where:
Base-Base interactions energy: -313.027
where: short stacking energy: -135.470
Base-Backbone interact. energy: -0.261
local terms energy: -169.817461
where:
bonds (distance) C4'-P energy: -40.380
bonds (distance) P-C4' energy: -38.815
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: -28.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -401.403388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.403388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.403388 (E_RNA)
where:
Base-Base interactions energy: -248.522
where: short stacking energy: -120.055
Base-Backbone interact. energy: -0.605
local terms energy: -152.275445
where:
bonds (distance) C4'-P energy: -41.462
bonds (distance) P-C4' energy: -42.841
flat angles C4'-P-C4' energy: -31.612
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -275.372341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.372341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.372341 (E_RNA)
where:
Base-Base interactions energy: -130.435
where: short stacking energy: -75.490
Base-Backbone interact. energy: 0.931
local terms energy: -145.869077
where:
bonds (distance) C4'-P energy: -34.949
bonds (distance) P-C4' energy: -38.083
flat angles C4'-P-C4' energy: -33.157
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -339.566358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.566358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.566358 (E_RNA)
where:
Base-Base interactions energy: -208.760
where: short stacking energy: -99.112
Base-Backbone interact. energy: -0.380
local terms energy: -130.425919
where:
bonds (distance) C4'-P energy: -34.237
bonds (distance) P-C4' energy: -37.468
flat angles C4'-P-C4' energy: -36.539
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -217.328002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.328002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.328002 (E_RNA)
where:
Base-Base interactions energy: -101.314
where: short stacking energy: -64.374
Base-Backbone interact. energy: 3.160
local terms energy: -119.174125
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -30.576
flat angles C4'-P-C4' energy: -30.407
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -10.558
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: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -656.846405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.846405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.846405 (E_RNA)
where:
Base-Base interactions energy: -436.406
where: short stacking energy: -203.648
Base-Backbone interact. energy: -0.115
local terms energy: -220.325229
where:
bonds (distance) C4'-P energy: -42.000
bonds (distance) P-C4' energy: -41.267
flat angles C4'-P-C4' energy: -44.946
flat angles P-C4'-P energy: -27.683
tors. eta vs tors. theta energy: -64.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -650.089457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.089457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.089457 (E_RNA)
where:
Base-Base interactions energy: -452.967
where: short stacking energy: -174.129
Base-Backbone interact. energy: -0.483
local terms energy: -196.639861
where:
bonds (distance) C4'-P energy: -41.086
bonds (distance) P-C4' energy: -40.927
flat angles C4'-P-C4' energy: -37.488
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -51.036
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: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -604.845815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.845815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.845815 (E_RNA)
where:
Base-Base interactions energy: -415.063
where: short stacking energy: -172.925
Base-Backbone interact. energy: -1.508
local terms energy: -188.274759
where:
bonds (distance) C4'-P energy: -34.663
bonds (distance) P-C4' energy: -41.200
flat angles C4'-P-C4' energy: -39.336
flat angles P-C4'-P energy: -27.393
tors. eta vs tors. theta energy: -45.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -575.169589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.169589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.169589 (E_RNA)
where:
Base-Base interactions energy: -386.420
where: short stacking energy: -182.850
Base-Backbone interact. energy: -0.105
local terms energy: -188.643942
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -34.368
flat angles C4'-P-C4' energy: -38.930
flat angles P-C4'-P energy: -29.388
tors. eta vs tors. theta energy: -52.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -483.850673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.850673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.850673 (E_RNA)
where:
Base-Base interactions energy: -320.809
where: short stacking energy: -145.591
Base-Backbone interact. energy: -0.941
local terms energy: -162.100865
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -29.562
flat angles C4'-P-C4' energy: -44.771
flat angles P-C4'-P energy: -21.769
tors. eta vs tors. theta energy: -36.751
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: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -476.886424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.886424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.886424 (E_RNA)
where:
Base-Base interactions energy: -306.227
where: short stacking energy: -135.266
Base-Backbone interact. energy: 1.373
local terms energy: -172.032778
where:
bonds (distance) C4'-P energy: -40.056
bonds (distance) P-C4' energy: -35.950
flat angles C4'-P-C4' energy: -38.365
flat angles P-C4'-P energy: -25.629
tors. eta vs tors. theta energy: -32.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -425.701036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.701036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.701036 (E_RNA)
where:
Base-Base interactions energy: -283.802
where: short stacking energy: -138.516
Base-Backbone interact. energy: 3.185
local terms energy: -145.083487
where:
bonds (distance) C4'-P energy: -35.427
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -30.349
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -33.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -280.288047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.288047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.288047 (E_RNA)
where:
Base-Base interactions energy: -152.888
where: short stacking energy: -80.738
Base-Backbone interact. energy: 0.339
local terms energy: -127.738821
where:
bonds (distance) C4'-P energy: -33.015
bonds (distance) P-C4' energy: -36.615
flat angles C4'-P-C4' energy: -32.694
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -10.521
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: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -328.146430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.146430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.146430 (E_RNA)
where:
Base-Base interactions energy: -186.724
where: short stacking energy: -93.891
Base-Backbone interact. energy: -1.066
local terms energy: -140.356893
where:
bonds (distance) C4'-P energy: -31.345
bonds (distance) P-C4' energy: -33.670
flat angles C4'-P-C4' energy: -42.652
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -165.366903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.366903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.366903 (E_RNA)
where:
Base-Base interactions energy: -59.895
where: short stacking energy: -34.377
Base-Backbone interact. energy: 7.030
local terms energy: -112.502123
where:
bonds (distance) C4'-P energy: -35.335
bonds (distance) P-C4' energy: -35.567
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: 4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -646.097191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.097191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.097191 (E_RNA)
where:
Base-Base interactions energy: -445.743
where: short stacking energy: -187.267
Base-Backbone interact. energy: -0.074
local terms energy: -200.279643
where:
bonds (distance) C4'-P energy: -34.162
bonds (distance) P-C4' energy: -40.749
flat angles C4'-P-C4' energy: -44.512
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -53.633
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: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -603.679222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.679222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.679222 (E_RNA)
where:
Base-Base interactions energy: -405.712
where: short stacking energy: -177.695
Base-Backbone interact. energy: 0.110
local terms energy: -198.077519
where:
bonds (distance) C4'-P energy: -33.846
bonds (distance) P-C4' energy: -40.582
flat angles C4'-P-C4' energy: -44.282
flat angles P-C4'-P energy: -26.699
tors. eta vs tors. theta energy: -52.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -631.192178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.192178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.192178 (E_RNA)
where:
Base-Base interactions energy: -436.608
where: short stacking energy: -173.353
Base-Backbone interact. energy: -0.865
local terms energy: -193.719298
where:
bonds (distance) C4'-P energy: -34.608
bonds (distance) P-C4' energy: -33.970
flat angles C4'-P-C4' energy: -44.902
flat angles P-C4'-P energy: -29.475
tors. eta vs tors. theta energy: -50.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -583.177584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.177584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.177584 (E_RNA)
where:
Base-Base interactions energy: -392.269
where: short stacking energy: -185.494
Base-Backbone interact. energy: -0.162
local terms energy: -190.745858
where:
bonds (distance) C4'-P energy: -31.969
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -41.427
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -58.012
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: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -497.846139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.846139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.846139 (E_RNA)
where:
Base-Base interactions energy: -326.759
where: short stacking energy: -136.107
Base-Backbone interact. energy: -1.228
local terms energy: -169.859303
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -43.251
flat angles C4'-P-C4' energy: -35.996
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: -29.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -472.158997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.158997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.158997 (E_RNA)
where:
Base-Base interactions energy: -298.819
where: short stacking energy: -130.341
Base-Backbone interact. energy: -0.258
local terms energy: -173.081540
where:
bonds (distance) C4'-P energy: -35.674
bonds (distance) P-C4' energy: -42.206
flat angles C4'-P-C4' energy: -41.117
flat angles P-C4'-P energy: -22.245
tors. eta vs tors. theta energy: -31.840
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: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -433.697352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.697352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.697352 (E_RNA)
where:
Base-Base interactions energy: -290.554
where: short stacking energy: -129.402
Base-Backbone interact. energy: -0.416
local terms energy: -142.727685
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -37.640
flat angles C4'-P-C4' energy: -30.691
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -26.525
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: 8, replica: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -336.717845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.717845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.717845 (E_RNA)
where:
Base-Base interactions energy: -208.308
where: short stacking energy: -108.608
Base-Backbone interact. energy: -1.425
local terms energy: -126.984611
where:
bonds (distance) C4'-P energy: -36.593
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -36.252
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -12.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -271.709696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.709696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.709696 (E_RNA)
where:
Base-Base interactions energy: -133.124
where: short stacking energy: -77.434
Base-Backbone interact. energy: 0.736
local terms energy: -139.321433
where:
bonds (distance) C4'-P energy: -32.082
bonds (distance) P-C4' energy: -36.450
flat angles C4'-P-C4' energy: -36.053
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -17.695
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: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -170.454755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.454755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.454755 (E_RNA)
where:
Base-Base interactions energy: -69.076
where: short stacking energy: -49.255
Base-Backbone interact. energy: -0.952
local terms energy: -100.426100
where:
bonds (distance) C4'-P energy: -27.671
bonds (distance) P-C4' energy: -34.178
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: 4.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -661.885410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.885410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.885410 (E_RNA)
where:
Base-Base interactions energy: -456.583
where: short stacking energy: -205.047
Base-Backbone interact. energy: -0.138
local terms energy: -205.164329
where:
bonds (distance) C4'-P energy: -36.515
bonds (distance) P-C4' energy: -42.928
flat angles C4'-P-C4' energy: -41.370
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -57.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -618.263083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.263083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.263083 (E_RNA)
where:
Base-Base interactions energy: -423.188
where: short stacking energy: -174.528
Base-Backbone interact. energy: -0.333
local terms energy: -194.742056
where:
bonds (distance) C4'-P energy: -40.220
bonds (distance) P-C4' energy: -40.117
flat angles C4'-P-C4' energy: -38.094
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -51.897
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: 348
Temperature: 1.000000
Total energy: -624.661538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.661538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.661538 (E_RNA)
where:
Base-Base interactions energy: -452.085
where: short stacking energy: -179.638
Base-Backbone interact. energy: 1.269
local terms energy: -173.846101
where:
bonds (distance) C4'-P energy: -34.689
bonds (distance) P-C4' energy: -33.344
flat angles C4'-P-C4' energy: -34.265
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: -41.454
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: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -578.338057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.338057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.338057 (E_RNA)
where:
Base-Base interactions energy: -369.217
where: short stacking energy: -185.908
Base-Backbone interact. energy: -0.342
local terms energy: -208.778971
where:
bonds (distance) C4'-P energy: -34.641
bonds (distance) P-C4' energy: -36.815
flat angles C4'-P-C4' energy: -43.533
flat angles P-C4'-P energy: -34.447
tors. eta vs tors. theta energy: -59.342
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: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -500.697481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.697481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.697481 (E_RNA)
where:
Base-Base interactions energy: -332.456
where: short stacking energy: -151.982
Base-Backbone interact. energy: 0.424
local terms energy: -168.666081
where:
bonds (distance) C4'-P energy: -41.359
bonds (distance) P-C4' energy: -27.271
flat angles C4'-P-C4' energy: -37.494
flat angles P-C4'-P energy: -26.263
tors. eta vs tors. theta energy: -36.278
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: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -511.182870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.182870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.182870 (E_RNA)
where:
Base-Base interactions energy: -347.850
where: short stacking energy: -161.194
Base-Backbone interact. energy: -0.515
local terms energy: -162.817622
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -34.930
flat angles C4'-P-C4' energy: -35.771
flat angles P-C4'-P energy: -24.385
tors. eta vs tors. theta energy: -43.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -443.806589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.806589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.806589 (E_RNA)
where:
Base-Base interactions energy: -285.454
where: short stacking energy: -130.740
Base-Backbone interact. energy: -0.663
local terms energy: -157.689968
where:
bonds (distance) C4'-P energy: -38.924
bonds (distance) P-C4' energy: -35.088
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -12.145
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: 9
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -361.770455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.770455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.770455 (E_RNA)
where:
Base-Base interactions energy: -225.392
where: short stacking energy: -114.049
Base-Backbone interact. energy: -0.570
local terms energy: -135.808525
where:
bonds (distance) C4'-P energy: -30.753
bonds (distance) P-C4' energy: -29.486
flat angles C4'-P-C4' energy: -33.023
flat angles P-C4'-P energy: -24.980
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -251.933984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.933984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.933984 (E_RNA)
where:
Base-Base interactions energy: -122.676
where: short stacking energy: -66.907
Base-Backbone interact. energy: 0.289
local terms energy: -129.546750
where:
bonds (distance) C4'-P energy: -42.910
bonds (distance) P-C4' energy: -39.716
flat angles C4'-P-C4' energy: -28.652
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -1.230
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: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -168.761745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.761745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.761745 (E_RNA)
where:
Base-Base interactions energy: -55.098
where: short stacking energy: -43.557
Base-Backbone interact. energy: -0.023
local terms energy: -113.640406
where:
bonds (distance) C4'-P energy: -41.808
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -20.290
tors. eta vs tors. theta energy: 3.932
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: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -667.435852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.435852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.435852 (E_RNA)
where:
Base-Base interactions energy: -458.406
where: short stacking energy: -192.570
Base-Backbone interact. energy: -1.204
local terms energy: -207.825557
where:
bonds (distance) C4'-P energy: -37.880
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -42.269
flat angles P-C4'-P energy: -32.622
tors. eta vs tors. theta energy: -54.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -628.179373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.179373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.179373 (E_RNA)
where:
Base-Base interactions energy: -431.536
where: short stacking energy: -187.138
Base-Backbone interact. energy: -0.372
local terms energy: -196.271862
where:
bonds (distance) C4'-P energy: -32.101
bonds (distance) P-C4' energy: -40.975
flat angles C4'-P-C4' energy: -41.592
flat angles P-C4'-P energy: -28.389
tors. eta vs tors. theta energy: -53.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -629.199482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.199482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.199482 (E_RNA)
where:
Base-Base interactions energy: -426.222
where: short stacking energy: -178.332
Base-Backbone interact. energy: -1.453
local terms energy: -201.523760
where:
bonds (distance) C4'-P energy: -44.394
bonds (distance) P-C4' energy: -35.753
flat angles C4'-P-C4' energy: -42.459
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -52.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -570.784901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.784901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.784901 (E_RNA)
where:
Base-Base interactions energy: -373.780
where: short stacking energy: -170.691
Base-Backbone interact. energy: -0.067
local terms energy: -196.937800
where:
bonds (distance) C4'-P energy: -34.090
bonds (distance) P-C4' energy: -41.033
flat angles C4'-P-C4' energy: -42.692
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -52.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -486.835905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.835905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.835905 (E_RNA)
where:
Base-Base interactions energy: -323.987
where: short stacking energy: -148.961
Base-Backbone interact. energy: -0.804
local terms energy: -162.045256
where:
bonds (distance) C4'-P energy: -29.774
bonds (distance) P-C4' energy: -37.806
flat angles C4'-P-C4' energy: -36.308
flat angles P-C4'-P energy: -26.122
tors. eta vs tors. theta energy: -32.036
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: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -516.352620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.352620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.352620 (E_RNA)
where:
Base-Base interactions energy: -343.384
where: short stacking energy: -158.727
Base-Backbone interact. energy: 0.552
local terms energy: -173.520406
where:
bonds (distance) C4'-P energy: -40.565
bonds (distance) P-C4' energy: -30.652
flat angles C4'-P-C4' energy: -42.965
flat angles P-C4'-P energy: -11.567
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: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -411.839048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.839048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.839048 (E_RNA)
where:
Base-Base interactions energy: -256.459
where: short stacking energy: -121.486
Base-Backbone interact. energy: -1.708
local terms energy: -153.672544
where:
bonds (distance) C4'-P energy: -35.470
bonds (distance) P-C4' energy: -35.409
flat angles C4'-P-C4' energy: -35.133
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -23.917
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: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -356.332333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.332333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.332333 (E_RNA)
where:
Base-Base interactions energy: -219.533
where: short stacking energy: -95.768
Base-Backbone interact. energy: -1.165
local terms energy: -135.634553
where:
bonds (distance) C4'-P energy: -26.984
bonds (distance) P-C4' energy: -38.328
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -21.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -259.499310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.499310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.499310 (E_RNA)
where:
Base-Base interactions energy: -130.233
where: short stacking energy: -72.283
Base-Backbone interact. energy: -0.403
local terms energy: -128.862520
where:
bonds (distance) C4'-P energy: -35.810
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -33.926
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: -2.898
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: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -170.868088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.868088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.868088 (E_RNA)
where:
Base-Base interactions energy: -80.292
where: short stacking energy: -64.597
Base-Backbone interact. energy: 5.883
local terms energy: -96.459248
where:
bonds (distance) C4'-P energy: -34.757
bonds (distance) P-C4' energy: -31.321
flat angles C4'-P-C4' energy: -20.561
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -653.580390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.580390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.580390 (E_RNA)
where:
Base-Base interactions energy: -452.224
where: short stacking energy: -196.538
Base-Backbone interact. energy: -0.127
local terms energy: -201.229607
where:
bonds (distance) C4'-P energy: -38.545
bonds (distance) P-C4' energy: -38.388
flat angles C4'-P-C4' energy: -40.120
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: -55.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -608.230397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.230397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.230397 (E_RNA)
where:
Base-Base interactions energy: -407.788
where: short stacking energy: -181.522
Base-Backbone interact. energy: -1.718
local terms energy: -198.724985
where:
bonds (distance) C4'-P energy: -33.151
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -42.452
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -52.791
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: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -630.929654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.929654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.929654 (E_RNA)
where:
Base-Base interactions energy: -435.149
where: short stacking energy: -186.353
Base-Backbone interact. energy: -1.038
local terms energy: -194.742301
where:
bonds (distance) C4'-P energy: -37.562
bonds (distance) P-C4' energy: -35.975
flat angles C4'-P-C4' energy: -40.411
flat angles P-C4'-P energy: -30.807
tors. eta vs tors. theta energy: -49.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -569.808332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.808332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.808332 (E_RNA)
where:
Base-Base interactions energy: -377.780
where: short stacking energy: -185.098
Base-Backbone interact. energy: -1.403
local terms energy: -190.624546
where:
bonds (distance) C4'-P energy: -36.092
bonds (distance) P-C4' energy: -35.481
flat angles C4'-P-C4' energy: -40.571
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -52.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -527.020135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.020135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.020135 (E_RNA)
where:
Base-Base interactions energy: -350.601
where: short stacking energy: -163.969
Base-Backbone interact. energy: -0.841
local terms energy: -175.577778
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -32.627
flat angles C4'-P-C4' energy: -43.362
flat angles P-C4'-P energy: -22.451
tors. eta vs tors. theta energy: -45.521
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: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -479.525753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.525753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.525753 (E_RNA)
where:
Base-Base interactions energy: -324.718
where: short stacking energy: -137.293
Base-Backbone interact. energy: -0.755
local terms energy: -154.052734
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -29.028
flat angles C4'-P-C4' energy: -39.820
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -28.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -368.349723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.349723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.349723 (E_RNA)
where:
Base-Base interactions energy: -230.268
where: short stacking energy: -108.694
Base-Backbone interact. energy: -0.227
local terms energy: -137.855029
where:
bonds (distance) C4'-P energy: -36.059
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -363.187116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.187116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.187116 (E_RNA)
where:
Base-Base interactions energy: -221.727
where: short stacking energy: -110.372
Base-Backbone interact. energy: -0.785
local terms energy: -140.674615
where:
bonds (distance) C4'-P energy: -34.468
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -34.751
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -261.074135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.074135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.074135 (E_RNA)
where:
Base-Base interactions energy: -134.413
where: short stacking energy: -71.649
Base-Backbone interact. energy: 1.776
local terms energy: -128.437342
where:
bonds (distance) C4'-P energy: -30.269
bonds (distance) P-C4' energy: -38.204
flat angles C4'-P-C4' energy: -32.665
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -176.567324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.567324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.567324 (E_RNA)
where:
Base-Base interactions energy: -61.268
where: short stacking energy: -44.712
Base-Backbone interact. energy: -0.953
local terms energy: -114.346160
where:
bonds (distance) C4'-P energy: -35.888
bonds (distance) P-C4' energy: -35.138
flat angles C4'-P-C4' energy: -31.622
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: 6.534
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: 351
Temperature: 0.900000
Total energy: -655.973836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.973836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.973836 (E_RNA)
where:
Base-Base interactions energy: -453.248
where: short stacking energy: -199.651
Base-Backbone interact. energy: -0.200
local terms energy: -202.524939
where:
bonds (distance) C4'-P energy: -28.812
bonds (distance) P-C4' energy: -40.250
flat angles C4'-P-C4' energy: -46.158
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: -60.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -632.702591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.702591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.702591 (E_RNA)
where:
Base-Base interactions energy: -433.829
where: short stacking energy: -187.347
Base-Backbone interact. energy: -0.128
local terms energy: -198.744700
where:
bonds (distance) C4'-P energy: -30.803
bonds (distance) P-C4' energy: -36.775
flat angles C4'-P-C4' energy: -43.545
flat angles P-C4'-P energy: -26.815
tors. eta vs tors. theta energy: -60.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -597.542470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.542470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.542470 (E_RNA)
where:
Base-Base interactions energy: -409.864
where: short stacking energy: -160.840
Base-Backbone interact. energy: -0.987
local terms energy: -186.691893
where:
bonds (distance) C4'-P energy: -36.883
bonds (distance) P-C4' energy: -39.321
flat angles C4'-P-C4' energy: -37.122
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -45.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -580.329748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.329748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.329748 (E_RNA)
where:
Base-Base interactions energy: -389.808
where: short stacking energy: -195.224
Base-Backbone interact. energy: -0.852
local terms energy: -189.670111
where:
bonds (distance) C4'-P energy: -28.098
bonds (distance) P-C4' energy: -40.045
flat angles C4'-P-C4' energy: -43.508
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -56.008
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: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -519.444945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.444945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.444945 (E_RNA)
where:
Base-Base interactions energy: -351.706
where: short stacking energy: -167.392
Base-Backbone interact. energy: -0.253
local terms energy: -167.486155
where:
bonds (distance) C4'-P energy: -29.551
bonds (distance) P-C4' energy: -34.782
flat angles C4'-P-C4' energy: -34.576
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -42.578
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: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -510.791976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.791976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.791976 (E_RNA)
where:
Base-Base interactions energy: -320.138
where: short stacking energy: -141.579
Base-Backbone interact. energy: -0.816
local terms energy: -189.838167
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -37.444
flat angles C4'-P-C4' energy: -43.647
flat angles P-C4'-P energy: -33.521
tors. eta vs tors. theta energy: -34.936
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: 351
Temperature: 1.200000
Total energy: -344.799391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.799391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.799391 (E_RNA)
where:
Base-Base interactions energy: -198.550
where: short stacking energy: -85.954
Base-Backbone interact. energy: -0.876
local terms energy: -145.373103
where:
bonds (distance) C4'-P energy: -38.390
bonds (distance) P-C4' energy: -32.380
flat angles C4'-P-C4' energy: -35.008
flat angles P-C4'-P energy: -28.769
tors. eta vs tors. theta energy: -10.826
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: 351
Temperature: 1.250000
Total energy: -362.510355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.510355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.510355 (E_RNA)
where:
Base-Base interactions energy: -213.335
where: short stacking energy: -79.996
Base-Backbone interact. energy: 1.602
local terms energy: -150.777980
where:
bonds (distance) C4'-P energy: -38.467
bonds (distance) P-C4' energy: -42.340
flat angles C4'-P-C4' energy: -31.410
flat angles P-C4'-P energy: -24.448
tors. eta vs tors. theta energy: -14.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -292.925722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.925722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.925722 (E_RNA)
where:
Base-Base interactions energy: -174.067
where: short stacking energy: -90.703
Base-Backbone interact. energy: 3.215
local terms energy: -122.073931
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -32.115
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -18.313
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: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -174.985506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.985506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.985506 (E_RNA)
where:
Base-Base interactions energy: -67.657
where: short stacking energy: -58.460
Base-Backbone interact. energy: 0.202
local terms energy: -107.530244
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -35.857
flat angles C4'-P-C4' energy: -30.100
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -643.391704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.391704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.391704 (E_RNA)
where:
Base-Base interactions energy: -432.917
where: short stacking energy: -182.026
Base-Backbone interact. energy: 0.856
local terms energy: -211.330131
where:
bonds (distance) C4'-P energy: -37.305
bonds (distance) P-C4' energy: -43.167
flat angles C4'-P-C4' energy: -45.840
flat angles P-C4'-P energy: -27.611
tors. eta vs tors. theta energy: -57.408
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: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -637.472641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.472641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.472641 (E_RNA)
where:
Base-Base interactions energy: -422.479
where: short stacking energy: -185.883
Base-Backbone interact. energy: -0.230
local terms energy: -214.763017
where:
bonds (distance) C4'-P energy: -37.858
bonds (distance) P-C4' energy: -42.529
flat angles C4'-P-C4' energy: -42.242
flat angles P-C4'-P energy: -31.233
tors. eta vs tors. theta energy: -60.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -606.785030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.785030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.785030 (E_RNA)
where:
Base-Base interactions energy: -412.843
where: short stacking energy: -169.783
Base-Backbone interact. energy: -0.691
local terms energy: -193.250617
where:
bonds (distance) C4'-P energy: -39.154
bonds (distance) P-C4' energy: -38.308
flat angles C4'-P-C4' energy: -41.761
flat angles P-C4'-P energy: -24.881
tors. eta vs tors. theta energy: -49.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -560.642824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.642824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.642824 (E_RNA)
where:
Base-Base interactions energy: -371.028
where: short stacking energy: -167.228
Base-Backbone interact. energy: -0.103
local terms energy: -189.512692
where:
bonds (distance) C4'-P energy: -39.608
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -28.986
tors. eta vs tors. theta energy: -44.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -524.199906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.199906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.199906 (E_RNA)
where:
Base-Base interactions energy: -344.310
where: short stacking energy: -146.874
Base-Backbone interact. energy: -0.415
local terms energy: -179.474865
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -39.371
flat angles C4'-P-C4' energy: -44.340
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: -39.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -481.502591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.502591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.502591 (E_RNA)
where:
Base-Base interactions energy: -300.308
where: short stacking energy: -143.301
Base-Backbone interact. energy: -0.376
local terms energy: -180.818521
where:
bonds (distance) C4'-P energy: -34.885
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -44.375
flat angles P-C4'-P energy: -31.509
tors. eta vs tors. theta energy: -41.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -369.275263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.275263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.275263 (E_RNA)
where:
Base-Base interactions energy: -233.833
where: short stacking energy: -100.757
Base-Backbone interact. energy: 1.520
local terms energy: -136.962328
where:
bonds (distance) C4'-P energy: -37.035
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -38.304
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -371.248866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.248866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.248866 (E_RNA)
where:
Base-Base interactions energy: -237.341
where: short stacking energy: -108.605
Base-Backbone interact. energy: -1.086
local terms energy: -132.821307
where:
bonds (distance) C4'-P energy: -27.592
bonds (distance) P-C4' energy: -35.106
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -16.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -259.091426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.091426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.091426 (E_RNA)
where:
Base-Base interactions energy: -153.507
where: short stacking energy: -83.919
Base-Backbone interact. energy: 1.889
local terms energy: -107.472997
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -8.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -175.643909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.643909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.643909 (E_RNA)
where:
Base-Base interactions energy: -68.485
where: short stacking energy: -48.883
Base-Backbone interact. energy: -0.539
local terms energy: -106.619490
where:
bonds (distance) C4'-P energy: -27.451
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: 1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -651.752519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.752519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.752519 (E_RNA)
where:
Base-Base interactions energy: -443.156
where: short stacking energy: -194.023
Base-Backbone interact. energy: 0.127
local terms energy: -208.723515
where:
bonds (distance) C4'-P energy: -37.739
bonds (distance) P-C4' energy: -37.235
flat angles C4'-P-C4' energy: -43.804
flat angles P-C4'-P energy: -32.530
tors. eta vs tors. theta energy: -57.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -649.183416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.183416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.183416 (E_RNA)
where:
Base-Base interactions energy: -444.462
where: short stacking energy: -194.580
Base-Backbone interact. energy: -0.020
local terms energy: -204.701189
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -42.352
flat angles C4'-P-C4' energy: -42.781
flat angles P-C4'-P energy: -27.906
tors. eta vs tors. theta energy: -62.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -637.082288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.082288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.082288 (E_RNA)
where:
Base-Base interactions energy: -426.232
where: short stacking energy: -188.380
Base-Backbone interact. energy: -0.944
local terms energy: -209.905557
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -36.641
flat angles C4'-P-C4' energy: -45.499
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -57.615
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: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -550.465264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.465264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.465264 (E_RNA)
where:
Base-Base interactions energy: -363.946
where: short stacking energy: -172.177
Base-Backbone interact. energy: -0.802
local terms energy: -185.717261
where:
bonds (distance) C4'-P energy: -38.024
bonds (distance) P-C4' energy: -35.709
flat angles C4'-P-C4' energy: -37.603
flat angles P-C4'-P energy: -28.177
tors. eta vs tors. theta energy: -46.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -537.167317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.167317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.167317 (E_RNA)
where:
Base-Base interactions energy: -349.027
where: short stacking energy: -163.261
Base-Backbone interact. energy: -0.179
local terms energy: -187.960980
where:
bonds (distance) C4'-P energy: -38.131
bonds (distance) P-C4' energy: -37.541
flat angles C4'-P-C4' energy: -39.714
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -46.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -478.308764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.308764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.308764 (E_RNA)
where:
Base-Base interactions energy: -318.986
where: short stacking energy: -149.521
Base-Backbone interact. energy: -0.024
local terms energy: -159.298441
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -40.415
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -41.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -351.399828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.399828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.399828 (E_RNA)
where:
Base-Base interactions energy: -209.412
where: short stacking energy: -99.969
Base-Backbone interact. energy: -0.854
local terms energy: -141.133722
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -32.939
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -19.816
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: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -367.823464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.823464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.823464 (E_RNA)
where:
Base-Base interactions energy: -227.000
where: short stacking energy: -103.605
Base-Backbone interact. energy: 1.509
local terms energy: -142.332126
where:
bonds (distance) C4'-P energy: -39.732
bonds (distance) P-C4' energy: -28.160
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -18.080
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: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -243.003337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.003337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.003337 (E_RNA)
where:
Base-Base interactions energy: -124.244
where: short stacking energy: -66.414
Base-Backbone interact. energy: -1.034
local terms energy: -117.724799
where:
bonds (distance) C4'-P energy: -40.486
bonds (distance) P-C4' energy: -37.847
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -178.693781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.693781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.693781 (E_RNA)
where:
Base-Base interactions energy: -66.806
where: short stacking energy: -57.392
Base-Backbone interact. energy: -0.866
local terms energy: -111.021449
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: 7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -652.724357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.724357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.724357 (E_RNA)
where:
Base-Base interactions energy: -439.069
where: short stacking energy: -192.581
Base-Backbone interact. energy: -0.635
local terms energy: -213.020297
where:
bonds (distance) C4'-P energy: -39.474
bonds (distance) P-C4' energy: -40.180
flat angles C4'-P-C4' energy: -42.937
flat angles P-C4'-P energy: -30.974
tors. eta vs tors. theta energy: -59.457
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: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -624.301511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.301511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.301511 (E_RNA)
where:
Base-Base interactions energy: -421.919
where: short stacking energy: -191.879
Base-Backbone interact. energy: -0.088
local terms energy: -202.294444
where:
bonds (distance) C4'-P energy: -40.370
bonds (distance) P-C4' energy: -44.620
flat angles C4'-P-C4' energy: -35.978
flat angles P-C4'-P energy: -29.334
tors. eta vs tors. theta energy: -51.993
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: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -622.010097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.010097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.010097 (E_RNA)
where:
Base-Base interactions energy: -431.489
where: short stacking energy: -182.276
Base-Backbone interact. energy: -0.315
local terms energy: -190.205754
where:
bonds (distance) C4'-P energy: -27.283
bonds (distance) P-C4' energy: -37.607
flat angles C4'-P-C4' energy: -41.103
flat angles P-C4'-P energy: -31.320
tors. eta vs tors. theta energy: -52.893
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: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -572.947438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.947438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.947438 (E_RNA)
where:
Base-Base interactions energy: -381.457
where: short stacking energy: -184.769
Base-Backbone interact. energy: -0.073
local terms energy: -191.417809
where:
bonds (distance) C4'-P energy: -30.188
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -41.128
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: -62.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -550.769179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.769179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.769179 (E_RNA)
where:
Base-Base interactions energy: -369.615
where: short stacking energy: -161.007
Base-Backbone interact. energy: -0.171
local terms energy: -180.983422
where:
bonds (distance) C4'-P energy: -34.500
bonds (distance) P-C4' energy: -34.193
flat angles C4'-P-C4' energy: -30.841
flat angles P-C4'-P energy: -37.105
tors. eta vs tors. theta energy: -44.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -488.837416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.837416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.837416 (E_RNA)
where:
Base-Base interactions energy: -328.948
where: short stacking energy: -147.243
Base-Backbone interact. energy: -0.818
local terms energy: -159.072039
where:
bonds (distance) C4'-P energy: -30.591
bonds (distance) P-C4' energy: -34.390
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -38.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -406.453342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.453342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.453342 (E_RNA)
where:
Base-Base interactions energy: -255.452
where: short stacking energy: -118.936
Base-Backbone interact. energy: -0.897
local terms energy: -150.103746
where:
bonds (distance) C4'-P energy: -26.960
bonds (distance) P-C4' energy: -36.436
flat angles C4'-P-C4' energy: -37.613
flat angles P-C4'-P energy: -21.831
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: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -401.830012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.830012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.830012 (E_RNA)
where:
Base-Base interactions energy: -253.403
where: short stacking energy: -106.066
Base-Backbone interact. energy: -0.896
local terms energy: -147.531298
where:
bonds (distance) C4'-P energy: -32.422
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -36.227
flat angles P-C4'-P energy: -25.139
tors. eta vs tors. theta energy: -25.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -274.688987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.688987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.688987 (E_RNA)
where:
Base-Base interactions energy: -154.500
where: short stacking energy: -79.242
Base-Backbone interact. energy: -0.850
local terms energy: -119.339074
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -38.288
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -24.868
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -164.022783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.022783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.022783 (E_RNA)
where:
Base-Base interactions energy: -58.023
where: short stacking energy: -45.961
Base-Backbone interact. energy: -0.772
local terms energy: -105.228043
where:
bonds (distance) C4'-P energy: -26.661
bonds (distance) P-C4' energy: -34.187
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: 2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -646.474572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.474572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.474572 (E_RNA)
where:
Base-Base interactions energy: -440.036
where: short stacking energy: -197.806
Base-Backbone interact. energy: -0.500
local terms energy: -205.939369
where:
bonds (distance) C4'-P energy: -36.594
bonds (distance) P-C4' energy: -39.778
flat angles C4'-P-C4' energy: -46.768
flat angles P-C4'-P energy: -26.305
tors. eta vs tors. theta energy: -56.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -634.238789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.238789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.238789 (E_RNA)
where:
Base-Base interactions energy: -434.386
where: short stacking energy: -190.031
Base-Backbone interact. energy: -1.391
local terms energy: -198.462052
where:
bonds (distance) C4'-P energy: -29.718
bonds (distance) P-C4' energy: -40.457
flat angles C4'-P-C4' energy: -45.237
flat angles P-C4'-P energy: -28.580
tors. eta vs tors. theta energy: -54.471
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: 355
Temperature: 1.000000
Total energy: -625.900224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.900224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.900224 (E_RNA)
where:
Base-Base interactions energy: -414.505
where: short stacking energy: -177.561
Base-Backbone interact. energy: -0.797
local terms energy: -210.598519
where:
bonds (distance) C4'-P energy: -42.492
bonds (distance) P-C4' energy: -39.304
flat angles C4'-P-C4' energy: -44.613
flat angles P-C4'-P energy: -29.981
tors. eta vs tors. theta energy: -54.209
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: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -564.966275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.966275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.966275 (E_RNA)
where:
Base-Base interactions energy: -380.797
where: short stacking energy: -179.168
Base-Backbone interact. energy: 1.680
local terms energy: -185.850052
where:
bonds (distance) C4'-P energy: -43.049
bonds (distance) P-C4' energy: -37.029
flat angles C4'-P-C4' energy: -35.584
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -48.684
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: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -571.343573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.343573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.343573 (E_RNA)
where:
Base-Base interactions energy: -375.232
where: short stacking energy: -161.082
Base-Backbone interact. energy: -0.698
local terms energy: -195.413832
where:
bonds (distance) C4'-P energy: -39.302
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -41.385
flat angles P-C4'-P energy: -25.978
tors. eta vs tors. theta energy: -47.936
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: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -486.807340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.807340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.807340 (E_RNA)
where:
Base-Base interactions energy: -318.186
where: short stacking energy: -136.255
Base-Backbone interact. energy: -1.345
local terms energy: -167.276062
where:
bonds (distance) C4'-P energy: -34.099
bonds (distance) P-C4' energy: -39.646
flat angles C4'-P-C4' energy: -36.486
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -32.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -395.791092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.791092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.791092 (E_RNA)
where:
Base-Base interactions energy: -243.184
where: short stacking energy: -115.889
Base-Backbone interact. energy: 0.079
local terms energy: -152.686300
where:
bonds (distance) C4'-P energy: -27.722
bonds (distance) P-C4' energy: -43.887
flat angles C4'-P-C4' energy: -34.095
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -21.538
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: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -416.232692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.232692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.232692 (E_RNA)
where:
Base-Base interactions energy: -258.618
where: short stacking energy: -108.417
Base-Backbone interact. energy: 0.361
local terms energy: -157.975363
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -37.063
flat angles C4'-P-C4' energy: -34.199
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -27.943
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: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -254.695148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.695148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.695148 (E_RNA)
where:
Base-Base interactions energy: -126.798
where: short stacking energy: -78.106
Base-Backbone interact. energy: -0.394
local terms energy: -127.503580
where:
bonds (distance) C4'-P energy: -34.048
bonds (distance) P-C4' energy: -39.698
flat angles C4'-P-C4' energy: -25.773
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -171.452671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.452671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.452671 (E_RNA)
where:
Base-Base interactions energy: -51.224
where: short stacking energy: -46.438
Base-Backbone interact. energy: -0.888
local terms energy: -119.340370
where:
bonds (distance) C4'-P energy: -36.712
bonds (distance) P-C4' energy: -37.903
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -0.256
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: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -637.719288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.719288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.719288 (E_RNA)
where:
Base-Base interactions energy: -435.651
where: short stacking energy: -178.155
Base-Backbone interact. energy: -1.200
local terms energy: -200.868295
where:
bonds (distance) C4'-P energy: -37.269
bonds (distance) P-C4' energy: -39.625
flat angles C4'-P-C4' energy: -45.116
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -52.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -630.550790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.550790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.550790 (E_RNA)
where:
Base-Base interactions energy: -435.994
where: short stacking energy: -190.316
Base-Backbone interact. energy: -0.132
local terms energy: -194.425523
where:
bonds (distance) C4'-P energy: -40.360
bonds (distance) P-C4' energy: -34.022
flat angles C4'-P-C4' energy: -37.143
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: -57.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -566.894877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.894877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.894877 (E_RNA)
where:
Base-Base interactions energy: -370.924
where: short stacking energy: -166.019
Base-Backbone interact. energy: -0.779
local terms energy: -195.191301
where:
bonds (distance) C4'-P energy: -43.010
bonds (distance) P-C4' energy: -33.756
flat angles C4'-P-C4' energy: -41.985
flat angles P-C4'-P energy: -29.696
tors. eta vs tors. theta energy: -46.745
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: 356
Temperature: 1.050000
Total energy: -608.761485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.761485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.761485 (E_RNA)
where:
Base-Base interactions energy: -424.922
where: short stacking energy: -179.172
Base-Backbone interact. energy: -1.224
local terms energy: -182.615473
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -39.195
flat angles C4'-P-C4' energy: -40.197
flat angles P-C4'-P energy: -27.820
tors. eta vs tors. theta energy: -46.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -503.147548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.147548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.147548 (E_RNA)
where:
Base-Base interactions energy: -328.924
where: short stacking energy: -150.100
Base-Backbone interact. energy: 2.901
local terms energy: -177.124139
where:
bonds (distance) C4'-P energy: -33.407
bonds (distance) P-C4' energy: -38.246
flat angles C4'-P-C4' energy: -37.917
flat angles P-C4'-P energy: -30.086
tors. eta vs tors. theta energy: -37.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -508.253226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.253226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.253226 (E_RNA)
where:
Base-Base interactions energy: -338.497
where: short stacking energy: -139.685
Base-Backbone interact. energy: -0.367
local terms energy: -169.389243
where:
bonds (distance) C4'-P energy: -33.444
bonds (distance) P-C4' energy: -38.584
flat angles C4'-P-C4' energy: -35.181
flat angles P-C4'-P energy: -27.327
tors. eta vs tors. theta energy: -34.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -426.258077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.258077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.258077 (E_RNA)
where:
Base-Base interactions energy: -281.810
where: short stacking energy: -126.848
Base-Backbone interact. energy: -0.509
local terms energy: -143.938715
where:
bonds (distance) C4'-P energy: -28.425
bonds (distance) P-C4' energy: -29.953
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -23.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -373.179614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.179614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.179614 (E_RNA)
where:
Base-Base interactions energy: -231.909
where: short stacking energy: -90.246
Base-Backbone interact. energy: -1.782
local terms energy: -139.488778
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -38.112
flat angles C4'-P-C4' energy: -32.439
flat angles P-C4'-P energy: -20.152
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: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -241.211420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.211420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.211420 (E_RNA)
where:
Base-Base interactions energy: -115.499
where: short stacking energy: -54.594
Base-Backbone interact. energy: -0.728
local terms energy: -124.984640
where:
bonds (distance) C4'-P energy: -37.776
bonds (distance) P-C4' energy: -28.880
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -23.880
tors. eta vs tors. theta energy: -7.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -167.796180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.796180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.796180 (E_RNA)
where:
Base-Base interactions energy: -58.290
where: short stacking energy: -45.441
Base-Backbone interact. energy: 0.565
local terms energy: -110.070624
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -33.468
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -14.216
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: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -649.804290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.804290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.804290 (E_RNA)
where:
Base-Base interactions energy: -440.605
where: short stacking energy: -182.698
Base-Backbone interact. energy: -0.292
local terms energy: -208.907625
where:
bonds (distance) C4'-P energy: -37.689
bonds (distance) P-C4' energy: -40.444
flat angles C4'-P-C4' energy: -46.274
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -52.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -619.392941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.392941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.392941 (E_RNA)
where:
Base-Base interactions energy: -418.309
where: short stacking energy: -186.708
Base-Backbone interact. energy: -0.254
local terms energy: -200.829854
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -42.920
flat angles C4'-P-C4' energy: -40.122
flat angles P-C4'-P energy: -31.838
tors. eta vs tors. theta energy: -50.876
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: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -588.668414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.668414 (E_RNA)
where:
Base-Base interactions energy: -392.711
where: short stacking energy: -186.081
Base-Backbone interact. energy: 0.716
local terms energy: -196.673365
where:
bonds (distance) C4'-P energy: -32.793
bonds (distance) P-C4' energy: -37.597
flat angles C4'-P-C4' energy: -40.232
flat angles P-C4'-P energy: -30.387
tors. eta vs tors. theta energy: -55.665
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: 357
Temperature: 1.050000
Total energy: -585.746387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.746387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.746387 (E_RNA)
where:
Base-Base interactions energy: -421.703
where: short stacking energy: -159.977
Base-Backbone interact. energy: 0.009
local terms energy: -164.052624
where:
bonds (distance) C4'-P energy: -33.164
bonds (distance) P-C4' energy: -27.293
flat angles C4'-P-C4' energy: -36.788
flat angles P-C4'-P energy: -20.341
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: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -467.419666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.419666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.419666 (E_RNA)
where:
Base-Base interactions energy: -300.085
where: short stacking energy: -137.843
Base-Backbone interact. energy: -0.519
local terms energy: -166.815419
where:
bonds (distance) C4'-P energy: -36.137
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -38.996
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -29.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -451.515587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.515587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.515587 (E_RNA)
where:
Base-Base interactions energy: -282.872
where: short stacking energy: -136.421
Base-Backbone interact. energy: -0.272
local terms energy: -168.371485
where:
bonds (distance) C4'-P energy: -35.025
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -34.430
flat angles P-C4'-P energy: -28.064
tors. eta vs tors. theta energy: -39.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -453.481224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.481224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.481224 (E_RNA)
where:
Base-Base interactions energy: -315.701
where: short stacking energy: -136.149
Base-Backbone interact. energy: -1.087
local terms energy: -136.693033
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -37.299
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -29.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -385.045869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.045869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.045869 (E_RNA)
where:
Base-Base interactions energy: -238.023
where: short stacking energy: -107.373
Base-Backbone interact. energy: 0.851
local terms energy: -147.873693
where:
bonds (distance) C4'-P energy: -37.894
bonds (distance) P-C4' energy: -26.871
flat angles C4'-P-C4' energy: -33.698
flat angles P-C4'-P energy: -23.758
tors. eta vs tors. theta energy: -25.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -257.469536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.469536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.469536 (E_RNA)
where:
Base-Base interactions energy: -139.522
where: short stacking energy: -84.571
Base-Backbone interact. energy: 0.428
local terms energy: -118.375372
where:
bonds (distance) C4'-P energy: -28.640
bonds (distance) P-C4' energy: -32.687
flat angles C4'-P-C4' energy: -25.933
flat angles P-C4'-P energy: -24.104
tors. eta vs tors. theta energy: -7.010
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: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -159.771207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.771207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.771207 (E_RNA)
where:
Base-Base interactions energy: -59.643
where: short stacking energy: -57.233
Base-Backbone interact. energy: 0.872
local terms energy: -101.000062
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: 6.254
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: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -633.213098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.213098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.213098 (E_RNA)
where:
Base-Base interactions energy: -422.775
where: short stacking energy: -179.285
Base-Backbone interact. energy: -0.699
local terms energy: -209.739003
where:
bonds (distance) C4'-P energy: -38.858
bonds (distance) P-C4' energy: -40.881
flat angles C4'-P-C4' energy: -45.100
flat angles P-C4'-P energy: -28.600
tors. eta vs tors. theta energy: -56.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -638.947398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.947398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.947398 (E_RNA)
where:
Base-Base interactions energy: -438.796
where: short stacking energy: -189.014
Base-Backbone interact. energy: -0.115
local terms energy: -200.035705
where:
bonds (distance) C4'-P energy: -36.983
bonds (distance) P-C4' energy: -38.803
flat angles C4'-P-C4' energy: -40.704
flat angles P-C4'-P energy: -28.185
tors. eta vs tors. theta energy: -55.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -609.665953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.665953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.665953 (E_RNA)
where:
Base-Base interactions energy: -424.338
where: short stacking energy: -168.345
Base-Backbone interact. energy: -0.543
local terms energy: -184.785151
where:
bonds (distance) C4'-P energy: -38.454
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -45.827
flat angles P-C4'-P energy: -25.079
tors. eta vs tors. theta energy: -43.836
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: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -579.681879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.681879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.681879 (E_RNA)
where:
Base-Base interactions energy: -370.245
where: short stacking energy: -180.136
Base-Backbone interact. energy: -0.015
local terms energy: -209.421885
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -36.158
flat angles C4'-P-C4' energy: -41.521
flat angles P-C4'-P energy: -37.641
tors. eta vs tors. theta energy: -51.321
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: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -473.539482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.539482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.539482 (E_RNA)
where:
Base-Base interactions energy: -311.709
where: short stacking energy: -144.852
Base-Backbone interact. energy: -1.201
local terms energy: -160.629171
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -35.699
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -35.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -429.249774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.249774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.249774 (E_RNA)
where:
Base-Base interactions energy: -282.891
where: short stacking energy: -118.662
Base-Backbone interact. energy: -0.240
local terms energy: -146.118045
where:
bonds (distance) C4'-P energy: -36.603
bonds (distance) P-C4' energy: -30.472
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -25.208
tors. eta vs tors. theta energy: -20.213
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: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -446.941644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.941644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.941644 (E_RNA)
where:
Base-Base interactions energy: -284.332
where: short stacking energy: -125.183
Base-Backbone interact. energy: -0.554
local terms energy: -162.055654
where:
bonds (distance) C4'-P energy: -36.817
bonds (distance) P-C4' energy: -36.246
flat angles C4'-P-C4' energy: -43.696
flat angles P-C4'-P energy: -20.600
tors. eta vs tors. theta energy: -24.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -372.087783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.087783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.087783 (E_RNA)
where:
Base-Base interactions energy: -238.752
where: short stacking energy: -115.448
Base-Backbone interact. energy: -0.443
local terms energy: -132.892416
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -31.634
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -27.694
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: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -280.114834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.114834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.114834 (E_RNA)
where:
Base-Base interactions energy: -140.138
where: short stacking energy: -81.338
Base-Backbone interact. energy: 0.097
local terms energy: -140.073903
where:
bonds (distance) C4'-P energy: -33.256
bonds (distance) P-C4' energy: -38.292
flat angles C4'-P-C4' energy: -33.166
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -15.832
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: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -179.860519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.860519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.860519 (E_RNA)
where:
Base-Base interactions energy: -59.615
where: short stacking energy: -47.039
Base-Backbone interact. energy: 0.065
local terms energy: -120.310523
where:
bonds (distance) C4'-P energy: -29.251
bonds (distance) P-C4' energy: -44.723
flat angles C4'-P-C4' energy: -36.880
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: 5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -633.531883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.531883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.531883 (E_RNA)
where:
Base-Base interactions energy: -432.447
where: short stacking energy: -181.896
Base-Backbone interact. energy: -0.913
local terms energy: -200.171762
where:
bonds (distance) C4'-P energy: -36.521
bonds (distance) P-C4' energy: -31.054
flat angles C4'-P-C4' energy: -45.488
flat angles P-C4'-P energy: -32.076
tors. eta vs tors. theta energy: -55.032
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: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -644.506273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.506273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.506273 (E_RNA)
where:
Base-Base interactions energy: -445.390
where: short stacking energy: -179.833
Base-Backbone interact. energy: -1.230
local terms energy: -197.887075
where:
bonds (distance) C4'-P energy: -33.310
bonds (distance) P-C4' energy: -37.535
flat angles C4'-P-C4' energy: -46.388
flat angles P-C4'-P energy: -26.909
tors. eta vs tors. theta energy: -53.745
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: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -616.994348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.994348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.994348 (E_RNA)
where:
Base-Base interactions energy: -437.753
where: short stacking energy: -180.930
Base-Backbone interact. energy: -0.500
local terms energy: -178.741588
where:
bonds (distance) C4'-P energy: -30.812
bonds (distance) P-C4' energy: -32.942
flat angles C4'-P-C4' energy: -39.739
flat angles P-C4'-P energy: -27.087
tors. eta vs tors. theta energy: -48.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -576.530022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.530022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.530022 (E_RNA)
where:
Base-Base interactions energy: -385.880
where: short stacking energy: -180.079
Base-Backbone interact. energy: -0.389
local terms energy: -190.260354
where:
bonds (distance) C4'-P energy: -32.827
bonds (distance) P-C4' energy: -38.668
flat angles C4'-P-C4' energy: -42.261
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -53.993
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: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -494.058767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.058767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.058767 (E_RNA)
where:
Base-Base interactions energy: -328.792
where: short stacking energy: -138.298
Base-Backbone interact. energy: -0.680
local terms energy: -164.586443
where:
bonds (distance) C4'-P energy: -32.475
bonds (distance) P-C4' energy: -36.769
flat angles C4'-P-C4' energy: -37.239
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -34.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -508.464732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.464732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.464732 (E_RNA)
where:
Base-Base interactions energy: -335.486
where: short stacking energy: -148.596
Base-Backbone interact. energy: 0.105
local terms energy: -173.083503
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -39.791
flat angles C4'-P-C4' energy: -44.152
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -40.919
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: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -438.692270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.692270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.692270 (E_RNA)
where:
Base-Base interactions energy: -271.442
where: short stacking energy: -117.350
Base-Backbone interact. energy: -0.828
local terms energy: -166.422661
where:
bonds (distance) C4'-P energy: -37.460
bonds (distance) P-C4' energy: -33.000
flat angles C4'-P-C4' energy: -40.585
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -36.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -377.764679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.764679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.764679 (E_RNA)
where:
Base-Base interactions energy: -223.750
where: short stacking energy: -110.218
Base-Backbone interact. energy: -1.383
local terms energy: -152.631805
where:
bonds (distance) C4'-P energy: -40.420
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -35.052
flat angles P-C4'-P energy: -23.415
tors. eta vs tors. theta energy: -23.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -260.264339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.264339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.264339 (E_RNA)
where:
Base-Base interactions energy: -148.048
where: short stacking energy: -76.815
Base-Backbone interact. energy: 1.234
local terms energy: -113.451089
where:
bonds (distance) C4'-P energy: -35.605
bonds (distance) P-C4' energy: -33.471
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -4.362
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: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -171.407849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.407849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.407849 (E_RNA)
where:
Base-Base interactions energy: -57.035
where: short stacking energy: -50.878
Base-Backbone interact. energy: -0.390
local terms energy: -113.983196
where:
bonds (distance) C4'-P energy: -34.689
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -627.489270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.489270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.489270 (E_RNA)
where:
Base-Base interactions energy: -440.676
where: short stacking energy: -191.718
Base-Backbone interact. energy: -0.749
local terms energy: -186.064740
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -36.138
flat angles C4'-P-C4' energy: -42.179
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -49.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -626.652029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.652029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.652029 (E_RNA)
where:
Base-Base interactions energy: -430.077
where: short stacking energy: -173.307
Base-Backbone interact. energy: -0.330
local terms energy: -196.244969
where:
bonds (distance) C4'-P energy: -38.779
bonds (distance) P-C4' energy: -38.777
flat angles C4'-P-C4' energy: -40.406
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: -51.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -594.203204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.203204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.203204 (E_RNA)
where:
Base-Base interactions energy: -401.484
where: short stacking energy: -180.803
Base-Backbone interact. energy: -0.058
local terms energy: -192.661128
where:
bonds (distance) C4'-P energy: -34.543
bonds (distance) P-C4' energy: -37.727
flat angles C4'-P-C4' energy: -41.230
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -53.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -604.598540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.598540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.598540 (E_RNA)
where:
Base-Base interactions energy: -416.584
where: short stacking energy: -168.488
Base-Backbone interact. energy: -0.171
local terms energy: -187.842724
where:
bonds (distance) C4'-P energy: -34.161
bonds (distance) P-C4' energy: -40.360
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -29.730
tors. eta vs tors. theta energy: -47.083
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: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -525.594774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.594774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.594774 (E_RNA)
where:
Base-Base interactions energy: -365.663
where: short stacking energy: -149.672
Base-Backbone interact. energy: -1.265
local terms energy: -158.666580
where:
bonds (distance) C4'-P energy: -36.146
bonds (distance) P-C4' energy: -34.509
flat angles C4'-P-C4' energy: -31.789
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -35.435
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: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -475.113085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.113085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.113085 (E_RNA)
where:
Base-Base interactions energy: -320.762
where: short stacking energy: -139.566
Base-Backbone interact. energy: 2.258
local terms energy: -156.609365
where:
bonds (distance) C4'-P energy: -32.591
bonds (distance) P-C4' energy: -32.386
flat angles C4'-P-C4' energy: -35.179
flat angles P-C4'-P energy: -26.959
tors. eta vs tors. theta energy: -29.495
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: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -438.430733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.430733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.430733 (E_RNA)
where:
Base-Base interactions energy: -294.743
where: short stacking energy: -135.069
Base-Backbone interact. energy: -1.415
local terms energy: -142.273182
where:
bonds (distance) C4'-P energy: -30.812
bonds (distance) P-C4' energy: -32.448
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -29.031
tors. eta vs tors. theta energy: -26.981
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: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -344.317383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.317383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.317383 (E_RNA)
where:
Base-Base interactions energy: -208.948
where: short stacking energy: -93.795
Base-Backbone interact. energy: 2.423
local terms energy: -137.792513
where:
bonds (distance) C4'-P energy: -35.367
bonds (distance) P-C4' energy: -34.384
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -28.339
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -263.769502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.769502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.769502 (E_RNA)
where:
Base-Base interactions energy: -136.675
where: short stacking energy: -65.236
Base-Backbone interact. energy: -0.214
local terms energy: -126.880306
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -40.741
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -11.968
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: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -172.132854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.132854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.132854 (E_RNA)
where:
Base-Base interactions energy: -66.133
where: short stacking energy: -60.291
Base-Backbone interact. energy: 0.171
local terms energy: -106.170374
where:
bonds (distance) C4'-P energy: -23.898
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -26.427
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -4.271
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: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -653.413843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.413843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.413843 (E_RNA)
where:
Base-Base interactions energy: -446.679
where: short stacking energy: -194.964
Base-Backbone interact. energy: -1.484
local terms energy: -205.250167
where:
bonds (distance) C4'-P energy: -40.715
bonds (distance) P-C4' energy: -42.023
flat angles C4'-P-C4' energy: -45.380
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -56.890
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: 361
Temperature: 0.950000
Total energy: -616.769373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.769373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.769373 (E_RNA)
where:
Base-Base interactions energy: -418.989
where: short stacking energy: -181.044
Base-Backbone interact. energy: -2.164
local terms energy: -195.616462
where:
bonds (distance) C4'-P energy: -39.423
bonds (distance) P-C4' energy: -36.503
flat angles C4'-P-C4' energy: -36.725
flat angles P-C4'-P energy: -30.837
tors. eta vs tors. theta energy: -52.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -577.151038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.151038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.151038 (E_RNA)
where:
Base-Base interactions energy: -379.671
where: short stacking energy: -180.130
Base-Backbone interact. energy: -2.185
local terms energy: -195.295288
where:
bonds (distance) C4'-P energy: -38.084
bonds (distance) P-C4' energy: -32.591
flat angles C4'-P-C4' energy: -39.820
flat angles P-C4'-P energy: -26.260
tors. eta vs tors. theta energy: -58.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -624.651795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.651795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.651795 (E_RNA)
where:
Base-Base interactions energy: -432.892
where: short stacking energy: -186.936
Base-Backbone interact. energy: 0.313
local terms energy: -192.072760
where:
bonds (distance) C4'-P energy: -42.097
bonds (distance) P-C4' energy: -36.616
flat angles C4'-P-C4' energy: -40.169
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -49.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -520.622035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.622035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.622035 (E_RNA)
where:
Base-Base interactions energy: -341.649
where: short stacking energy: -146.385
Base-Backbone interact. energy: -0.972
local terms energy: -178.001167
where:
bonds (distance) C4'-P energy: -33.910
bonds (distance) P-C4' energy: -38.600
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -45.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -487.869863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.869863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.869863 (E_RNA)
where:
Base-Base interactions energy: -313.143
where: short stacking energy: -144.576
Base-Backbone interact. energy: 0.395
local terms energy: -175.121683
where:
bonds (distance) C4'-P energy: -33.113
bonds (distance) P-C4' energy: -43.683
flat angles C4'-P-C4' energy: -34.886
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -38.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -411.976459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.976459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.976459 (E_RNA)
where:
Base-Base interactions energy: -250.581
where: short stacking energy: -103.842
Base-Backbone interact. energy: -0.931
local terms energy: -160.464467
where:
bonds (distance) C4'-P energy: -37.249
bonds (distance) P-C4' energy: -39.684
flat angles C4'-P-C4' energy: -41.061
flat angles P-C4'-P energy: -21.182
tors. eta vs tors. theta energy: -21.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -356.763116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.763116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.763116 (E_RNA)
where:
Base-Base interactions energy: -226.067
where: short stacking energy: -106.302
Base-Backbone interact. energy: -1.339
local terms energy: -129.357362
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -38.188
flat angles C4'-P-C4' energy: -27.784
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -256.378273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.378273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.378273 (E_RNA)
where:
Base-Base interactions energy: -129.035
where: short stacking energy: -70.237
Base-Backbone interact. energy: 0.301
local terms energy: -127.644017
where:
bonds (distance) C4'-P energy: -33.662
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -29.195
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -11.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -174.975469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.975469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.975469 (E_RNA)
where:
Base-Base interactions energy: -79.068
where: short stacking energy: -60.812
Base-Backbone interact. energy: -1.474
local terms energy: -94.434224
where:
bonds (distance) C4'-P energy: -26.313
bonds (distance) P-C4' energy: -34.955
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -12.587
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: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -640.338350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.338350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.338350 (E_RNA)
where:
Base-Base interactions energy: -426.622
where: short stacking energy: -179.973
Base-Backbone interact. energy: -0.813
local terms energy: -212.903838
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -42.492
flat angles C4'-P-C4' energy: -42.811
flat angles P-C4'-P energy: -30.884
tors. eta vs tors. theta energy: -56.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -644.063492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.063492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.063492 (E_RNA)
where:
Base-Base interactions energy: -440.765
where: short stacking energy: -190.910
Base-Backbone interact. energy: -0.577
local terms energy: -202.721509
where:
bonds (distance) C4'-P energy: -40.546
bonds (distance) P-C4' energy: -36.434
flat angles C4'-P-C4' energy: -39.615
flat angles P-C4'-P energy: -26.609
tors. eta vs tors. theta energy: -59.517
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: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -641.961246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.961246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.961246 (E_RNA)
where:
Base-Base interactions energy: -437.655
where: short stacking energy: -185.139
Base-Backbone interact. energy: -1.093
local terms energy: -203.213783
where:
bonds (distance) C4'-P energy: -36.722
bonds (distance) P-C4' energy: -41.719
flat angles C4'-P-C4' energy: -48.000
flat angles P-C4'-P energy: -27.315
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: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -576.666615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.666615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.666615 (E_RNA)
where:
Base-Base interactions energy: -387.085
where: short stacking energy: -182.945
Base-Backbone interact. energy: -0.820
local terms energy: -188.761826
where:
bonds (distance) C4'-P energy: -26.448
bonds (distance) P-C4' energy: -37.411
flat angles C4'-P-C4' energy: -44.459
flat angles P-C4'-P energy: -28.749
tors. eta vs tors. theta energy: -51.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -562.456112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.456112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.456112 (E_RNA)
where:
Base-Base interactions energy: -359.812
where: short stacking energy: -149.711
Base-Backbone interact. energy: -0.862
local terms energy: -201.781368
where:
bonds (distance) C4'-P energy: -37.704
bonds (distance) P-C4' energy: -43.380
flat angles C4'-P-C4' energy: -40.390
flat angles P-C4'-P energy: -32.798
tors. eta vs tors. theta energy: -47.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -477.042956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.042956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.042956 (E_RNA)
where:
Base-Base interactions energy: -310.363
where: short stacking energy: -142.167
Base-Backbone interact. energy: -0.223
local terms energy: -166.457116
where:
bonds (distance) C4'-P energy: -32.447
bonds (distance) P-C4' energy: -40.236
flat angles C4'-P-C4' energy: -29.263
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: -40.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -383.212887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.212887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.212887 (E_RNA)
where:
Base-Base interactions energy: -240.610
where: short stacking energy: -122.383
Base-Backbone interact. energy: 1.338
local terms energy: -143.941335
where:
bonds (distance) C4'-P energy: -26.228
bonds (distance) P-C4' energy: -38.441
flat angles C4'-P-C4' energy: -32.962
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -29.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -420.102918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.102918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.102918 (E_RNA)
where:
Base-Base interactions energy: -267.578
where: short stacking energy: -122.597
Base-Backbone interact. energy: -0.752
local terms energy: -151.772971
where:
bonds (distance) C4'-P energy: -33.482
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -35.062
flat angles P-C4'-P energy: -33.345
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: 9, replica: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -260.139755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.139755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.139755 (E_RNA)
where:
Base-Base interactions energy: -127.571
where: short stacking energy: -77.211
Base-Backbone interact. energy: -0.542
local terms energy: -132.026303
where:
bonds (distance) C4'-P energy: -37.932
bonds (distance) P-C4' energy: -43.013
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -7.571
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: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -171.148412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.148412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.148412 (E_RNA)
where:
Base-Base interactions energy: -53.831
where: short stacking energy: -50.701
Base-Backbone interact. energy: -1.136
local terms energy: -116.181028
where:
bonds (distance) C4'-P energy: -31.918
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -30.067
flat angles P-C4'-P energy: -27.932
tors. eta vs tors. theta energy: -1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -644.972469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.972469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.972469 (E_RNA)
where:
Base-Base interactions energy: -444.745
where: short stacking energy: -201.678
Base-Backbone interact. energy: -0.348
local terms energy: -199.878811
where:
bonds (distance) C4'-P energy: -38.078
bonds (distance) P-C4' energy: -34.525
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -29.428
tors. eta vs tors. theta energy: -59.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -634.442228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.442228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.442228 (E_RNA)
where:
Base-Base interactions energy: -432.502
where: short stacking energy: -183.734
Base-Backbone interact. energy: -1.099
local terms energy: -200.840619
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -47.015
flat angles C4'-P-C4' energy: -43.412
flat angles P-C4'-P energy: -25.970
tors. eta vs tors. theta energy: -53.450
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: 363
Temperature: 1.000000
Total energy: -636.937921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.937921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.937921 (E_RNA)
where:
Base-Base interactions energy: -438.417
where: short stacking energy: -181.018
Base-Backbone interact. energy: -0.092
local terms energy: -198.429081
where:
bonds (distance) C4'-P energy: -41.369
bonds (distance) P-C4' energy: -30.452
flat angles C4'-P-C4' energy: -42.516
flat angles P-C4'-P energy: -32.768
tors. eta vs tors. theta energy: -51.324
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: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -604.533541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.533541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.533541 (E_RNA)
where:
Base-Base interactions energy: -399.805
where: short stacking energy: -188.831
Base-Backbone interact. energy: -0.362
local terms energy: -204.367142
where:
bonds (distance) C4'-P energy: -34.988
bonds (distance) P-C4' energy: -39.566
flat angles C4'-P-C4' energy: -44.459
flat angles P-C4'-P energy: -28.802
tors. eta vs tors. theta energy: -56.552
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: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -528.432033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.432033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.432033 (E_RNA)
where:
Base-Base interactions energy: -341.783
where: short stacking energy: -136.782
Base-Backbone interact. energy: -0.989
local terms energy: -185.660347
where:
bonds (distance) C4'-P energy: -39.125
bonds (distance) P-C4' energy: -39.806
flat angles C4'-P-C4' energy: -41.354
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -45.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -476.606946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.606946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.606946 (E_RNA)
where:
Base-Base interactions energy: -315.793
where: short stacking energy: -143.920
Base-Backbone interact. energy: -0.057
local terms energy: -160.756916
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -36.703
flat angles P-C4'-P energy: -29.959
tors. eta vs tors. theta energy: -36.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -382.989747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.989747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.989747 (E_RNA)
where:
Base-Base interactions energy: -252.264
where: short stacking energy: -113.507
Base-Backbone interact. energy: 1.770
local terms energy: -132.494902
where:
bonds (distance) C4'-P energy: -34.344
bonds (distance) P-C4' energy: -26.513
flat angles C4'-P-C4' energy: -31.177
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -19.711
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: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -433.258497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.258497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.258497 (E_RNA)
where:
Base-Base interactions energy: -294.105
where: short stacking energy: -132.000
Base-Backbone interact. energy: 0.071
local terms energy: -139.224221
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -29.599
flat angles C4'-P-C4' energy: -36.209
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -32.013
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: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -248.048472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.048472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.048472 (E_RNA)
where:
Base-Base interactions energy: -124.736
where: short stacking energy: -70.981
Base-Backbone interact. energy: 0.048
local terms energy: -123.360699
where:
bonds (distance) C4'-P energy: -27.987
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -185.122716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.122716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.122716 (E_RNA)
where:
Base-Base interactions energy: -96.690
where: short stacking energy: -44.433
Base-Backbone interact. energy: -0.089
local terms energy: -88.343732
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -27.193
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: 4.709
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: 364
Temperature: 0.900000
Total energy: -651.901455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.901455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.901455 (E_RNA)
where:
Base-Base interactions energy: -453.083
where: short stacking energy: -201.504
Base-Backbone interact. energy: -0.142
local terms energy: -198.676508
where:
bonds (distance) C4'-P energy: -32.590
bonds (distance) P-C4' energy: -38.814
flat angles C4'-P-C4' energy: -41.512
flat angles P-C4'-P energy: -25.550
tors. eta vs tors. theta energy: -60.210
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: 364
Temperature: 0.950000
Total energy: -619.444939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.444939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.444939 (E_RNA)
where:
Base-Base interactions energy: -415.423
where: short stacking energy: -192.295
Base-Backbone interact. energy: -0.734
local terms energy: -203.288157
where:
bonds (distance) C4'-P energy: -36.941
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -43.957
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: -58.360
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: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -579.076959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.076959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.076959 (E_RNA)
where:
Base-Base interactions energy: -382.369
where: short stacking energy: -173.832
Base-Backbone interact. energy: -0.133
local terms energy: -196.575163
where:
bonds (distance) C4'-P energy: -41.701
bonds (distance) P-C4' energy: -35.339
flat angles C4'-P-C4' energy: -43.912
flat angles P-C4'-P energy: -28.156
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: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -629.949941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.949941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.949941 (E_RNA)
where:
Base-Base interactions energy: -434.296
where: short stacking energy: -180.400
Base-Backbone interact. energy: -0.182
local terms energy: -195.471955
where:
bonds (distance) C4'-P energy: -35.016
bonds (distance) P-C4' energy: -37.205
flat angles C4'-P-C4' energy: -45.522
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -47.009
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: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -512.838506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.838506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.838506 (E_RNA)
where:
Base-Base interactions energy: -323.652
where: short stacking energy: -156.604
Base-Backbone interact. energy: 0.198
local terms energy: -189.384425
where:
bonds (distance) C4'-P energy: -40.575
bonds (distance) P-C4' energy: -41.122
flat angles C4'-P-C4' energy: -37.911
flat angles P-C4'-P energy: -31.274
tors. eta vs tors. theta energy: -38.504
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: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -507.245697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.245697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.245697 (E_RNA)
where:
Base-Base interactions energy: -328.372
where: short stacking energy: -146.666
Base-Backbone interact. energy: -1.240
local terms energy: -177.633149
where:
bonds (distance) C4'-P energy: -32.315
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -38.488
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -43.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -451.351633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.351633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.351633 (E_RNA)
where:
Base-Base interactions energy: -294.309
where: short stacking energy: -131.462
Base-Backbone interact. energy: -0.137
local terms energy: -156.905415
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -32.110
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -32.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -334.323706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.323706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.323706 (E_RNA)
where:
Base-Base interactions energy: -200.972
where: short stacking energy: -102.991
Base-Backbone interact. energy: -1.084
local terms energy: -132.267347
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -34.754
flat angles C4'-P-C4' energy: -34.717
flat angles P-C4'-P energy: -17.534
tors. eta vs tors. theta energy: -22.742
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: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -258.544817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.544817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.544817 (E_RNA)
where:
Base-Base interactions energy: -132.575
where: short stacking energy: -77.335
Base-Backbone interact. energy: 1.324
local terms energy: -127.293836
where:
bonds (distance) C4'-P energy: -35.868
bonds (distance) P-C4' energy: -33.429
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -17.411
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -233.084102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.084102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.084102 (E_RNA)
where:
Base-Base interactions energy: -112.671
where: short stacking energy: -78.438
Base-Backbone interact. energy: 0.221
local terms energy: -120.634368
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -37.866
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -10.204
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: 365
Temperature: 0.900000
Total energy: -646.907796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.907796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.907796 (E_RNA)
where:
Base-Base interactions energy: -438.664
where: short stacking energy: -193.640
Base-Backbone interact. energy: 0.086
local terms energy: -208.329349
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -44.049
flat angles C4'-P-C4' energy: -44.422
flat angles P-C4'-P energy: -28.572
tors. eta vs tors. theta energy: -59.523
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: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -635.881634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.881634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.881634 (E_RNA)
where:
Base-Base interactions energy: -424.619
where: short stacking energy: -189.834
Base-Backbone interact. energy: -0.650
local terms energy: -210.612495
where:
bonds (distance) C4'-P energy: -42.764
bonds (distance) P-C4' energy: -39.275
flat angles C4'-P-C4' energy: -47.978
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: -57.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -599.459313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.459313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.459313 (E_RNA)
where:
Base-Base interactions energy: -402.614
where: short stacking energy: -180.310
Base-Backbone interact. energy: 0.293
local terms energy: -197.138178
where:
bonds (distance) C4'-P energy: -41.604
bonds (distance) P-C4' energy: -40.054
flat angles C4'-P-C4' energy: -37.527
flat angles P-C4'-P energy: -30.964
tors. eta vs tors. theta energy: -46.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -622.714799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.714799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.714799 (E_RNA)
where:
Base-Base interactions energy: -435.459
where: short stacking energy: -175.412
Base-Backbone interact. energy: -0.181
local terms energy: -187.075293
where:
bonds (distance) C4'-P energy: -37.054
bonds (distance) P-C4' energy: -34.775
flat angles C4'-P-C4' energy: -39.977
flat angles P-C4'-P energy: -24.619
tors. eta vs tors. theta energy: -50.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -496.938803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.938803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.938803 (E_RNA)
where:
Base-Base interactions energy: -321.067
where: short stacking energy: -156.065
Base-Backbone interact. energy: -0.298
local terms energy: -175.574103
where:
bonds (distance) C4'-P energy: -36.161
bonds (distance) P-C4' energy: -44.507
flat angles C4'-P-C4' energy: -39.207
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -37.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -514.149141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.149141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.149141 (E_RNA)
where:
Base-Base interactions energy: -346.983
where: short stacking energy: -149.109
Base-Backbone interact. energy: -0.346
local terms energy: -166.820060
where:
bonds (distance) C4'-P energy: -35.600
bonds (distance) P-C4' energy: -40.203
flat angles C4'-P-C4' energy: -34.924
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -42.305
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: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -430.576344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.576344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.576344 (E_RNA)
where:
Base-Base interactions energy: -275.380
where: short stacking energy: -124.644
Base-Backbone interact. energy: -0.406
local terms energy: -154.790578
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -39.142
flat angles C4'-P-C4' energy: -35.981
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -29.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -360.603633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.603633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.603633 (E_RNA)
where:
Base-Base interactions energy: -212.357
where: short stacking energy: -105.207
Base-Backbone interact. energy: -0.061
local terms energy: -148.185485
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -40.325
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -26.376
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: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -260.057910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.057910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.057910 (E_RNA)
where:
Base-Base interactions energy: -125.566
where: short stacking energy: -74.120
Base-Backbone interact. energy: 0.190
local terms energy: -134.682623
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -34.102
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -16.105
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: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -207.803230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.803230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.803230 (E_RNA)
where:
Base-Base interactions energy: -84.929
where: short stacking energy: -59.504
Base-Backbone interact. energy: -0.644
local terms energy: -122.230618
where:
bonds (distance) C4'-P energy: -36.548
bonds (distance) P-C4' energy: -36.762
flat angles C4'-P-C4' energy: -33.938
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -4.877
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: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -651.575753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.575753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.575753 (E_RNA)
where:
Base-Base interactions energy: -432.800
where: short stacking energy: -192.324
Base-Backbone interact. energy: -0.214
local terms energy: -218.562601
where:
bonds (distance) C4'-P energy: -44.587
bonds (distance) P-C4' energy: -37.862
flat angles C4'-P-C4' energy: -43.844
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: -62.105
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: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -611.260847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.260847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.260847 (E_RNA)
where:
Base-Base interactions energy: -418.246
where: short stacking energy: -180.677
Base-Backbone interact. energy: -1.145
local terms energy: -191.869686
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -48.534
flat angles C4'-P-C4' energy: -40.523
flat angles P-C4'-P energy: -26.892
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: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -641.342300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.342300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.342300 (E_RNA)
where:
Base-Base interactions energy: -427.775
where: short stacking energy: -181.058
Base-Backbone interact. energy: -0.222
local terms energy: -213.345485
where:
bonds (distance) C4'-P energy: -39.480
bonds (distance) P-C4' energy: -40.965
flat angles C4'-P-C4' energy: -42.098
flat angles P-C4'-P energy: -35.832
tors. eta vs tors. theta energy: -54.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -576.923742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.923742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.923742 (E_RNA)
where:
Base-Base interactions energy: -388.294
where: short stacking energy: -189.222
Base-Backbone interact. energy: -0.215
local terms energy: -188.414125
where:
bonds (distance) C4'-P energy: -38.604
bonds (distance) P-C4' energy: -30.813
flat angles C4'-P-C4' energy: -40.109
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: -60.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -497.644631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.644631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.644631 (E_RNA)
where:
Base-Base interactions energy: -326.249
where: short stacking energy: -157.645
Base-Backbone interact. energy: -0.852
local terms energy: -170.542854
where:
bonds (distance) C4'-P energy: -31.826
bonds (distance) P-C4' energy: -35.731
flat angles C4'-P-C4' energy: -36.901
flat angles P-C4'-P energy: -23.831
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: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -483.583807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.583807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.583807 (E_RNA)
where:
Base-Base interactions energy: -332.253
where: short stacking energy: -156.621
Base-Backbone interact. energy: -1.315
local terms energy: -150.016177
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -38.100
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -38.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -432.247888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.247888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.247888 (E_RNA)
where:
Base-Base interactions energy: -280.617
where: short stacking energy: -129.253
Base-Backbone interact. energy: -0.999
local terms energy: -150.632028
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -27.588
flat angles C4'-P-C4' energy: -35.602
flat angles P-C4'-P energy: -22.166
tors. eta vs tors. theta energy: -34.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -361.801206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.801206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.801206 (E_RNA)
where:
Base-Base interactions energy: -217.095
where: short stacking energy: -114.650
Base-Backbone interact. energy: -0.452
local terms energy: -144.253672
where:
bonds (distance) C4'-P energy: -32.842
bonds (distance) P-C4' energy: -37.845
flat angles C4'-P-C4' energy: -35.906
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -258.365931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.365931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.365931 (E_RNA)
where:
Base-Base interactions energy: -127.665
where: short stacking energy: -82.716
Base-Backbone interact. energy: -2.407
local terms energy: -128.294531
where:
bonds (distance) C4'-P energy: -36.629
bonds (distance) P-C4' energy: -31.029
flat angles C4'-P-C4' energy: -32.450
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -9.282
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: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -180.791903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.791903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.791903 (E_RNA)
where:
Base-Base interactions energy: -59.412
where: short stacking energy: -57.240
Base-Backbone interact. energy: -0.633
local terms energy: -120.746715
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -34.368
flat angles C4'-P-C4' energy: -32.918
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -639.228266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.228266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.228266 (E_RNA)
where:
Base-Base interactions energy: -439.315
where: short stacking energy: -185.501
Base-Backbone interact. energy: 0.533
local terms energy: -200.447088
where:
bonds (distance) C4'-P energy: -39.563
bonds (distance) P-C4' energy: -35.603
flat angles C4'-P-C4' energy: -39.934
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -57.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -641.947395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.947395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.947395 (E_RNA)
where:
Base-Base interactions energy: -439.386
where: short stacking energy: -182.151
Base-Backbone interact. energy: -0.310
local terms energy: -202.251143
where:
bonds (distance) C4'-P energy: -39.612
bonds (distance) P-C4' energy: -39.286
flat angles C4'-P-C4' energy: -45.285
flat angles P-C4'-P energy: -28.665
tors. eta vs tors. theta energy: -49.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -621.884690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.884690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.884690 (E_RNA)
where:
Base-Base interactions energy: -429.562
where: short stacking energy: -190.045
Base-Backbone interact. energy: -0.250
local terms energy: -192.073573
where:
bonds (distance) C4'-P energy: -42.451
bonds (distance) P-C4' energy: -30.193
flat angles C4'-P-C4' energy: -33.551
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -58.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -577.821945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.821945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.821945 (E_RNA)
where:
Base-Base interactions energy: -382.077
where: short stacking energy: -188.947
Base-Backbone interact. energy: -0.920
local terms energy: -194.825665
where:
bonds (distance) C4'-P energy: -31.402
bonds (distance) P-C4' energy: -37.732
flat angles C4'-P-C4' energy: -40.504
flat angles P-C4'-P energy: -31.392
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: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -503.700944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.700944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.700944 (E_RNA)
where:
Base-Base interactions energy: -335.730
where: short stacking energy: -148.547
Base-Backbone interact. energy: -1.840
local terms energy: -166.130786
where:
bonds (distance) C4'-P energy: -28.739
bonds (distance) P-C4' energy: -38.992
flat angles C4'-P-C4' energy: -36.171
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -34.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -463.441988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.441988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.441988 (E_RNA)
where:
Base-Base interactions energy: -293.638
where: short stacking energy: -144.323
Base-Backbone interact. energy: -0.452
local terms energy: -169.352107
where:
bonds (distance) C4'-P energy: -35.911
bonds (distance) P-C4' energy: -34.442
flat angles C4'-P-C4' energy: -37.839
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -38.487
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: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -463.091448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.091448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.091448 (E_RNA)
where:
Base-Base interactions energy: -296.276
where: short stacking energy: -124.538
Base-Backbone interact. energy: -0.594
local terms energy: -166.221711
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -38.838
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -37.112
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: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -337.331990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.331990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.331990 (E_RNA)
where:
Base-Base interactions energy: -192.642
where: short stacking energy: -86.698
Base-Backbone interact. energy: -0.040
local terms energy: -144.649583
where:
bonds (distance) C4'-P energy: -32.579
bonds (distance) P-C4' energy: -35.846
flat angles C4'-P-C4' energy: -38.358
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -268.150457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.150457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.150457 (E_RNA)
where:
Base-Base interactions energy: -131.690
where: short stacking energy: -75.567
Base-Backbone interact. energy: 1.545
local terms energy: -138.006079
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -40.005
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -27.982
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -200.640877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.640877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.640877 (E_RNA)
where:
Base-Base interactions energy: -93.157
where: short stacking energy: -62.318
Base-Backbone interact. energy: 1.879
local terms energy: -109.362900
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -36.161
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -642.631171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.631171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.631171 (E_RNA)
where:
Base-Base interactions energy: -431.727
where: short stacking energy: -180.506
Base-Backbone interact. energy: 0.006
local terms energy: -210.909348
where:
bonds (distance) C4'-P energy: -44.206
bonds (distance) P-C4' energy: -39.232
flat angles C4'-P-C4' energy: -46.372
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -51.046
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: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -650.636060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.636060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.636060 (E_RNA)
where:
Base-Base interactions energy: -439.503
where: short stacking energy: -198.655
Base-Backbone interact. energy: -0.898
local terms energy: -210.234827
where:
bonds (distance) C4'-P energy: -37.081
bonds (distance) P-C4' energy: -37.412
flat angles C4'-P-C4' energy: -44.962
flat angles P-C4'-P energy: -27.929
tors. eta vs tors. theta energy: -62.851
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: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -609.193034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.193034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.193034 (E_RNA)
where:
Base-Base interactions energy: -416.476
where: short stacking energy: -181.900
Base-Backbone interact. energy: -1.232
local terms energy: -191.485369
where:
bonds (distance) C4'-P energy: -34.437
bonds (distance) P-C4' energy: -39.958
flat angles C4'-P-C4' energy: -45.299
flat angles P-C4'-P energy: -19.879
tors. eta vs tors. theta energy: -51.912
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: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -570.484031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.484031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.484031 (E_RNA)
where:
Base-Base interactions energy: -373.918
where: short stacking energy: -176.461
Base-Backbone interact. energy: 1.821
local terms energy: -198.386556
where:
bonds (distance) C4'-P energy: -38.702
bonds (distance) P-C4' energy: -41.642
flat angles C4'-P-C4' energy: -41.806
flat angles P-C4'-P energy: -28.320
tors. eta vs tors. theta energy: -47.917
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: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -475.943128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.943128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.943128 (E_RNA)
where:
Base-Base interactions energy: -306.300
where: short stacking energy: -133.255
Base-Backbone interact. energy: 0.076
local terms energy: -169.718830
where:
bonds (distance) C4'-P energy: -39.207
bonds (distance) P-C4' energy: -33.237
flat angles C4'-P-C4' energy: -40.902
flat angles P-C4'-P energy: -25.948
tors. eta vs tors. theta energy: -30.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -512.070381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.070381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.070381 (E_RNA)
where:
Base-Base interactions energy: -347.709
where: short stacking energy: -147.579
Base-Backbone interact. energy: 0.008
local terms energy: -164.369121
where:
bonds (distance) C4'-P energy: -35.804
bonds (distance) P-C4' energy: -35.184
flat angles C4'-P-C4' energy: -33.948
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -37.872
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: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -447.141715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.141715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.141715 (E_RNA)
where:
Base-Base interactions energy: -286.232
where: short stacking energy: -121.540
Base-Backbone interact. energy: -0.997
local terms energy: -159.912385
where:
bonds (distance) C4'-P energy: -35.660
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -26.805
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -344.793833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.793833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.793833 (E_RNA)
where:
Base-Base interactions energy: -212.147
where: short stacking energy: -92.270
Base-Backbone interact. energy: -1.123
local terms energy: -131.523674
where:
bonds (distance) C4'-P energy: -32.822
bonds (distance) P-C4' energy: -36.765
flat angles C4'-P-C4' energy: -33.813
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -13.003
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: 9, replica: 2
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -256.925533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.925533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.925533 (E_RNA)
where:
Base-Base interactions energy: -121.833
where: short stacking energy: -64.494
Base-Backbone interact. energy: -1.467
local terms energy: -133.625140
where:
bonds (distance) C4'-P energy: -38.186
bonds (distance) P-C4' energy: -38.652
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -28.400
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -186.937413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.937413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.937413 (E_RNA)
where:
Base-Base interactions energy: -66.973
where: short stacking energy: -53.338
Base-Backbone interact. energy: -0.772
local terms energy: -119.192359
where:
bonds (distance) C4'-P energy: -37.006
bonds (distance) P-C4' energy: -39.636
flat angles C4'-P-C4' energy: -31.460
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: 5.387
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: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -660.741671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.741671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.741671 (E_RNA)
where:
Base-Base interactions energy: -450.387
where: short stacking energy: -186.856
Base-Backbone interact. energy: -1.667
local terms energy: -208.688042
where:
bonds (distance) C4'-P energy: -39.449
bonds (distance) P-C4' energy: -39.923
flat angles C4'-P-C4' energy: -44.295
flat angles P-C4'-P energy: -33.574
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: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -656.453924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.453924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.453924 (E_RNA)
where:
Base-Base interactions energy: -443.616
where: short stacking energy: -195.522
Base-Backbone interact. energy: -0.558
local terms energy: -212.279891
where:
bonds (distance) C4'-P energy: -40.250
bonds (distance) P-C4' energy: -40.289
flat angles C4'-P-C4' energy: -47.680
flat angles P-C4'-P energy: -25.549
tors. eta vs tors. theta energy: -58.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -610.917702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.917702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.917702 (E_RNA)
where:
Base-Base interactions energy: -414.296
where: short stacking energy: -174.045
Base-Backbone interact. energy: -1.672
local terms energy: -194.950406
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -38.215
flat angles C4'-P-C4' energy: -43.907
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -56.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -564.749073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.749073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.749073 (E_RNA)
where:
Base-Base interactions energy: -364.717
where: short stacking energy: -171.352
Base-Backbone interact. energy: -0.675
local terms energy: -199.356948
where:
bonds (distance) C4'-P energy: -37.533
bonds (distance) P-C4' energy: -37.335
flat angles C4'-P-C4' energy: -41.146
flat angles P-C4'-P energy: -33.917
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: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -470.772271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.772271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.772271 (E_RNA)
where:
Base-Base interactions energy: -287.923
where: short stacking energy: -133.137
Base-Backbone interact. energy: 0.182
local terms energy: -183.031396
where:
bonds (distance) C4'-P energy: -39.548
bonds (distance) P-C4' energy: -37.379
flat angles C4'-P-C4' energy: -43.846
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -35.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -506.610580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.610580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.610580 (E_RNA)
where:
Base-Base interactions energy: -334.833
where: short stacking energy: -141.210
Base-Backbone interact. energy: -0.917
local terms energy: -170.860996
where:
bonds (distance) C4'-P energy: -39.388
bonds (distance) P-C4' energy: -41.780
flat angles C4'-P-C4' energy: -35.449
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -33.502
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: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -449.355875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.355875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.355875 (E_RNA)
where:
Base-Base interactions energy: -300.668
where: short stacking energy: -134.003
Base-Backbone interact. energy: -0.471
local terms energy: -148.216287
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -27.656
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -33.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -283.976326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.976326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.976326 (E_RNA)
where:
Base-Base interactions energy: -148.648
where: short stacking energy: -88.347
Base-Backbone interact. energy: 0.546
local terms energy: -135.874094
where:
bonds (distance) C4'-P energy: -39.953
bonds (distance) P-C4' energy: -41.258
flat angles C4'-P-C4' energy: -27.784
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -333.273140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.273140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.273140 (E_RNA)
where:
Base-Base interactions energy: -209.485
where: short stacking energy: -96.460
Base-Backbone interact. energy: -0.667
local terms energy: -123.121077
where:
bonds (distance) C4'-P energy: -24.598
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -167.230299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.230299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.230299 (E_RNA)
where:
Base-Base interactions energy: -77.471
where: short stacking energy: -40.000
Base-Backbone interact. energy: 2.135
local terms energy: -91.893999
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -24.238
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -24.608
tors. eta vs tors. theta energy: 8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -668.150298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.150298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.150298 (E_RNA)
where:
Base-Base interactions energy: -459.021
where: short stacking energy: -195.989
Base-Backbone interact. energy: -0.974
local terms energy: -208.155058
where:
bonds (distance) C4'-P energy: -41.298
bonds (distance) P-C4' energy: -37.629
flat angles C4'-P-C4' energy: -42.699
flat angles P-C4'-P energy: -31.635
tors. eta vs tors. theta energy: -54.895
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: 370
Temperature: 0.950000
Total energy: -650.113591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.113591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.113591 (E_RNA)
where:
Base-Base interactions energy: -439.111
where: short stacking energy: -193.826
Base-Backbone interact. energy: 2.132
local terms energy: -213.134486
where:
bonds (distance) C4'-P energy: -39.962
bonds (distance) P-C4' energy: -39.496
flat angles C4'-P-C4' energy: -41.835
flat angles P-C4'-P energy: -32.744
tors. eta vs tors. theta energy: -59.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -598.124538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.124538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.124538 (E_RNA)
where:
Base-Base interactions energy: -417.099
where: short stacking energy: -164.190
Base-Backbone interact. energy: -0.675
local terms energy: -180.350009
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -38.141
flat angles C4'-P-C4' energy: -43.613
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -53.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -559.795997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.795997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.795997 (E_RNA)
where:
Base-Base interactions energy: -368.947
where: short stacking energy: -160.500
Base-Backbone interact. energy: -1.011
local terms energy: -189.837343
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -38.825
flat angles C4'-P-C4' energy: -44.727
flat angles P-C4'-P energy: -32.156
tors. eta vs tors. theta energy: -41.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -506.964912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.964912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.964912 (E_RNA)
where:
Base-Base interactions energy: -334.720
where: short stacking energy: -144.676
Base-Backbone interact. energy: -0.929
local terms energy: -171.314985
where:
bonds (distance) C4'-P energy: -36.370
bonds (distance) P-C4' energy: -36.478
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -26.321
tors. eta vs tors. theta energy: -32.249
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: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -470.670323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.670323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.670323 (E_RNA)
where:
Base-Base interactions energy: -298.362
where: short stacking energy: -135.752
Base-Backbone interact. energy: -0.923
local terms energy: -171.385128
where:
bonds (distance) C4'-P energy: -30.697
bonds (distance) P-C4' energy: -40.170
flat angles C4'-P-C4' energy: -37.707
flat angles P-C4'-P energy: -26.211
tors. eta vs tors. theta energy: -36.601
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: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -462.370473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.370473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.370473 (E_RNA)
where:
Base-Base interactions energy: -308.061
where: short stacking energy: -141.652
Base-Backbone interact. energy: -0.197
local terms energy: -154.112588
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -41.445
flat angles C4'-P-C4' energy: -36.863
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -30.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -314.415855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.415855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.415855 (E_RNA)
where:
Base-Base interactions energy: -166.922
where: short stacking energy: -110.724
Base-Backbone interact. energy: 0.644
local terms energy: -148.137776
where:
bonds (distance) C4'-P energy: -33.959
bonds (distance) P-C4' energy: -35.367
flat angles C4'-P-C4' energy: -36.298
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -23.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -329.865589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.865589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.865589 (E_RNA)
where:
Base-Base interactions energy: -192.460
where: short stacking energy: -102.549
Base-Backbone interact. energy: 1.463
local terms energy: -138.869439
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -42.262
flat angles C4'-P-C4' energy: -29.970
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -21.028
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: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -172.064602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.064602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.064602 (E_RNA)
where:
Base-Base interactions energy: -62.843
where: short stacking energy: -41.271
Base-Backbone interact. energy: -1.815
local terms energy: -107.407394
where:
bonds (distance) C4'-P energy: -28.354
bonds (distance) P-C4' energy: -33.501
flat angles C4'-P-C4' energy: -38.836
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: 6.083
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: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -643.240117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.240117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.240117 (E_RNA)
where:
Base-Base interactions energy: -444.171
where: short stacking energy: -181.712
Base-Backbone interact. energy: -0.710
local terms energy: -198.359713
where:
bonds (distance) C4'-P energy: -32.990
bonds (distance) P-C4' energy: -40.843
flat angles C4'-P-C4' energy: -46.205
flat angles P-C4'-P energy: -27.892
tors. eta vs tors. theta energy: -50.429
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: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -629.084111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.084111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.084111 (E_RNA)
where:
Base-Base interactions energy: -423.661
where: short stacking energy: -184.187
Base-Backbone interact. energy: -0.355
local terms energy: -205.068685
where:
bonds (distance) C4'-P energy: -35.053
bonds (distance) P-C4' energy: -40.622
flat angles C4'-P-C4' energy: -45.714
flat angles P-C4'-P energy: -30.388
tors. eta vs tors. theta energy: -53.292
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: 371
Temperature: 1.000000
Total energy: -627.441463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.441463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.441463 (E_RNA)
where:
Base-Base interactions energy: -431.430
where: short stacking energy: -187.512
Base-Backbone interact. energy: -0.989
local terms energy: -195.021917
where:
bonds (distance) C4'-P energy: -41.840
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -43.080
flat angles P-C4'-P energy: -19.592
tors. eta vs tors. theta energy: -54.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -559.460881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.460881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.460881 (E_RNA)
where:
Base-Base interactions energy: -370.517
where: short stacking energy: -170.178
Base-Backbone interact. energy: -0.179
local terms energy: -188.764659
where:
bonds (distance) C4'-P energy: -35.324
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -43.876
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -49.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -547.174411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.174411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.174411 (E_RNA)
where:
Base-Base interactions energy: -370.861
where: short stacking energy: -160.756
Base-Backbone interact. energy: -1.279
local terms energy: -175.034930
where:
bonds (distance) C4'-P energy: -34.910
bonds (distance) P-C4' energy: -39.908
flat angles C4'-P-C4' energy: -39.183
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -39.270
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: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -457.955923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.955923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.955923 (E_RNA)
where:
Base-Base interactions energy: -298.560
where: short stacking energy: -128.698
Base-Backbone interact. energy: -0.724
local terms energy: -158.672591
where:
bonds (distance) C4'-P energy: -39.043
bonds (distance) P-C4' energy: -30.233
flat angles C4'-P-C4' energy: -33.197
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: -30.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -452.025321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.025321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.025321 (E_RNA)
where:
Base-Base interactions energy: -298.864
where: short stacking energy: -130.198
Base-Backbone interact. energy: 2.495
local terms energy: -155.655638
where:
bonds (distance) C4'-P energy: -37.434
bonds (distance) P-C4' energy: -39.079
flat angles C4'-P-C4' energy: -39.234
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -340.175115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.175115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.175115 (E_RNA)
where:
Base-Base interactions energy: -206.889
where: short stacking energy: -101.610
Base-Backbone interact. energy: -0.864
local terms energy: -132.421817
where:
bonds (distance) C4'-P energy: -37.022
bonds (distance) P-C4' energy: -39.479
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -262.996785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.996785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.996785 (E_RNA)
where:
Base-Base interactions energy: -129.570
where: short stacking energy: -70.261
Base-Backbone interact. energy: -0.847
local terms energy: -132.579204
where:
bonds (distance) C4'-P energy: -29.951
bonds (distance) P-C4' energy: -41.909
flat angles C4'-P-C4' energy: -34.554
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: -6.326
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: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -161.576914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.576914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.576914 (E_RNA)
where:
Base-Base interactions energy: -50.388
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.419
local terms energy: -110.769713
where:
bonds (distance) C4'-P energy: -34.381
bonds (distance) P-C4' energy: -34.886
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: 4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -654.715865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.715865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.715865 (E_RNA)
where:
Base-Base interactions energy: -459.640
where: short stacking energy: -188.205
Base-Backbone interact. energy: -0.821
local terms energy: -194.254623
where:
bonds (distance) C4'-P energy: -40.385
bonds (distance) P-C4' energy: -40.711
flat angles C4'-P-C4' energy: -41.637
flat angles P-C4'-P energy: -24.106
tors. eta vs tors. theta energy: -47.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -638.237865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.237865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.237865 (E_RNA)
where:
Base-Base interactions energy: -437.969
where: short stacking energy: -192.453
Base-Backbone interact. energy: -0.146
local terms energy: -200.122145
where:
bonds (distance) C4'-P energy: -38.215
bonds (distance) P-C4' energy: -33.867
flat angles C4'-P-C4' energy: -42.723
flat angles P-C4'-P energy: -30.888
tors. eta vs tors. theta energy: -54.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -635.807220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.807220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.807220 (E_RNA)
where:
Base-Base interactions energy: -414.010
where: short stacking energy: -173.758
Base-Backbone interact. energy: 0.289
local terms energy: -222.085904
where:
bonds (distance) C4'-P energy: -41.372
bonds (distance) P-C4' energy: -44.953
flat angles C4'-P-C4' energy: -44.329
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: -58.372
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: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -563.900806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.900806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.900806 (E_RNA)
where:
Base-Base interactions energy: -366.455
where: short stacking energy: -175.536
Base-Backbone interact. energy: -0.232
local terms energy: -197.213584
where:
bonds (distance) C4'-P energy: -37.680
bonds (distance) P-C4' energy: -40.402
flat angles C4'-P-C4' energy: -41.181
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -49.948
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: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -569.944902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.944902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.944902 (E_RNA)
where:
Base-Base interactions energy: -381.841
where: short stacking energy: -165.256
Base-Backbone interact. energy: -1.264
local terms energy: -186.839296
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -40.801
flat angles C4'-P-C4' energy: -47.870
flat angles P-C4'-P energy: -25.514
tors. eta vs tors. theta energy: -40.458
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: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -446.077575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.077575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.077575 (E_RNA)
where:
Base-Base interactions energy: -287.143
where: short stacking energy: -128.343
Base-Backbone interact. energy: -1.069
local terms energy: -157.865972
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -44.221
flat angles C4'-P-C4' energy: -32.951
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -34.173
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: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -470.166544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.166544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.166544 (E_RNA)
where:
Base-Base interactions energy: -293.884
where: short stacking energy: -150.715
Base-Backbone interact. energy: 2.021
local terms energy: -178.304037
where:
bonds (distance) C4'-P energy: -37.233
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -42.631
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -45.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -338.890866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.890866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.890866 (E_RNA)
where:
Base-Base interactions energy: -196.176
where: short stacking energy: -90.803
Base-Backbone interact. energy: -0.507
local terms energy: -142.208498
where:
bonds (distance) C4'-P energy: -36.968
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -17.555
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: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -284.250169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.250169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.250169 (E_RNA)
where:
Base-Base interactions energy: -140.183
where: short stacking energy: -81.521
Base-Backbone interact. energy: -0.920
local terms energy: -143.147279
where:
bonds (distance) C4'-P energy: -38.538
bonds (distance) P-C4' energy: -41.518
flat angles C4'-P-C4' energy: -29.815
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -9.421
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: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -186.792524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.792524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.792524 (E_RNA)
where:
Base-Base interactions energy: -75.484
where: short stacking energy: -54.169
Base-Backbone interact. energy: -0.860
local terms energy: -110.448338
where:
bonds (distance) C4'-P energy: -32.014
bonds (distance) P-C4' energy: -31.289
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -1.573
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: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -643.882674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.882674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.882674 (E_RNA)
where:
Base-Base interactions energy: -445.616
where: short stacking energy: -180.060
Base-Backbone interact. energy: -0.658
local terms energy: -197.608605
where:
bonds (distance) C4'-P energy: -36.785
bonds (distance) P-C4' energy: -41.678
flat angles C4'-P-C4' energy: -41.765
flat angles P-C4'-P energy: -27.513
tors. eta vs tors. theta energy: -49.867
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: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -643.160226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.160226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.160226 (E_RNA)
where:
Base-Base interactions energy: -432.848
where: short stacking energy: -181.729
Base-Backbone interact. energy: -1.540
local terms energy: -208.772482
where:
bonds (distance) C4'-P energy: -40.963
bonds (distance) P-C4' energy: -34.180
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: -60.406
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: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -606.557173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.557173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.557173 (E_RNA)
where:
Base-Base interactions energy: -403.396
where: short stacking energy: -174.527
Base-Backbone interact. energy: -0.833
local terms energy: -202.327700
where:
bonds (distance) C4'-P energy: -38.131
bonds (distance) P-C4' energy: -38.408
flat angles C4'-P-C4' energy: -46.688
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -54.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -549.213343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.213343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.213343 (E_RNA)
where:
Base-Base interactions energy: -363.891
where: short stacking energy: -167.001
Base-Backbone interact. energy: -1.017
local terms energy: -184.304894
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -36.300
flat angles C4'-P-C4' energy: -42.510
flat angles P-C4'-P energy: -24.114
tors. eta vs tors. theta energy: -47.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -546.659587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.659587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.659587 (E_RNA)
where:
Base-Base interactions energy: -361.006
where: short stacking energy: -169.247
Base-Backbone interact. energy: -0.495
local terms energy: -185.158893
where:
bonds (distance) C4'-P energy: -33.909
bonds (distance) P-C4' energy: -35.884
flat angles C4'-P-C4' energy: -40.486
flat angles P-C4'-P energy: -27.023
tors. eta vs tors. theta energy: -47.858
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: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -475.707289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.707289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.707289 (E_RNA)
where:
Base-Base interactions energy: -311.462
where: short stacking energy: -143.367
Base-Backbone interact. energy: -0.827
local terms energy: -163.417927
where:
bonds (distance) C4'-P energy: -39.478
bonds (distance) P-C4' energy: -38.980
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -22.972
tors. eta vs tors. theta energy: -29.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -428.260141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.260141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.260141 (E_RNA)
where:
Base-Base interactions energy: -271.669
where: short stacking energy: -128.753
Base-Backbone interact. energy: 0.322
local terms energy: -156.912902
where:
bonds (distance) C4'-P energy: -35.554
bonds (distance) P-C4' energy: -31.921
flat angles C4'-P-C4' energy: -31.522
flat angles P-C4'-P energy: -28.740
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: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -322.862274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.862274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.862274 (E_RNA)
where:
Base-Base interactions energy: -178.855
where: short stacking energy: -83.515
Base-Backbone interact. energy: -0.813
local terms energy: -143.193546
where:
bonds (distance) C4'-P energy: -35.642
bonds (distance) P-C4' energy: -38.283
flat angles C4'-P-C4' energy: -37.048
flat angles P-C4'-P energy: -23.926
tors. eta vs tors. theta energy: -8.295
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: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -289.101844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.101844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.101844 (E_RNA)
where:
Base-Base interactions energy: -177.398
where: short stacking energy: -78.245
Base-Backbone interact. energy: -1.646
local terms energy: -110.057567
where:
bonds (distance) C4'-P energy: -30.329
bonds (distance) P-C4' energy: -32.867
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -1.866
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: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -172.268023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.268023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.268023 (E_RNA)
where:
Base-Base interactions energy: -61.778
where: short stacking energy: -50.878
Base-Backbone interact. energy: -0.120
local terms energy: -110.370768
where:
bonds (distance) C4'-P energy: -24.867
bonds (distance) P-C4' energy: -34.756
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -0.254
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: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -644.823762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.823762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.823762 (E_RNA)
where:
Base-Base interactions energy: -444.131
where: short stacking energy: -191.960
Base-Backbone interact. energy: -0.421
local terms energy: -200.271795
where:
bonds (distance) C4'-P energy: -32.520
bonds (distance) P-C4' energy: -40.301
flat angles C4'-P-C4' energy: -42.641
flat angles P-C4'-P energy: -30.496
tors. eta vs tors. theta energy: -54.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -616.323284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.323284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.323284 (E_RNA)
where:
Base-Base interactions energy: -409.699
where: short stacking energy: -175.291
Base-Backbone interact. energy: 0.236
local terms energy: -206.860384
where:
bonds (distance) C4'-P energy: -33.026
bonds (distance) P-C4' energy: -39.585
flat angles C4'-P-C4' energy: -43.602
flat angles P-C4'-P energy: -35.646
tors. eta vs tors. theta energy: -55.001
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: 374
Temperature: 1.000000
Total energy: -621.224143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.224143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.224143 (E_RNA)
where:
Base-Base interactions energy: -430.832
where: short stacking energy: -185.823
Base-Backbone interact. energy: -0.248
local terms energy: -190.144176
where:
bonds (distance) C4'-P energy: -33.520
bonds (distance) P-C4' energy: -37.146
flat angles C4'-P-C4' energy: -41.665
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: -51.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -559.227964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.227964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.227964 (E_RNA)
where:
Base-Base interactions energy: -383.229
where: short stacking energy: -175.843
Base-Backbone interact. energy: -0.174
local terms energy: -175.825174
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -38.598
flat angles C4'-P-C4' energy: -40.081
flat angles P-C4'-P energy: -20.872
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: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -506.388400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.388400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.388400 (E_RNA)
where:
Base-Base interactions energy: -338.507
where: short stacking energy: -145.296
Base-Backbone interact. energy: 7.026
local terms energy: -174.907059
where:
bonds (distance) C4'-P energy: -31.210
bonds (distance) P-C4' energy: -42.717
flat angles C4'-P-C4' energy: -34.857
flat angles P-C4'-P energy: -27.470
tors. eta vs tors. theta energy: -38.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -489.692659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.692659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.692659 (E_RNA)
where:
Base-Base interactions energy: -312.035
where: short stacking energy: -148.287
Base-Backbone interact. energy: -0.533
local terms energy: -177.124809
where:
bonds (distance) C4'-P energy: -44.325
bonds (distance) P-C4' energy: -37.398
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -39.898
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: 374
Temperature: 1.200000
Total energy: -414.600272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.600272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.600272 (E_RNA)
where:
Base-Base interactions energy: -272.793
where: short stacking energy: -123.410
Base-Backbone interact. energy: -0.989
local terms energy: -140.817405
where:
bonds (distance) C4'-P energy: -25.167
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: -29.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -326.830325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.830325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.830325 (E_RNA)
where:
Base-Base interactions energy: -191.571
where: short stacking energy: -92.621
Base-Backbone interact. energy: -0.432
local terms energy: -134.827165
where:
bonds (distance) C4'-P energy: -37.387
bonds (distance) P-C4' energy: -30.547
flat angles C4'-P-C4' energy: -38.123
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -8.241
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: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -264.477152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.477152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.477152 (E_RNA)
where:
Base-Base interactions energy: -138.011
where: short stacking energy: -82.203
Base-Backbone interact. energy: -0.491
local terms energy: -125.974804
where:
bonds (distance) C4'-P energy: -34.057
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -22.452
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -180.832835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.832835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.832835 (E_RNA)
where:
Base-Base interactions energy: -71.078
where: short stacking energy: -58.579
Base-Backbone interact. energy: -0.516
local terms energy: -109.239058
where:
bonds (distance) C4'-P energy: -31.968
bonds (distance) P-C4' energy: -32.055
flat angles C4'-P-C4' energy: -27.803
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -639.803384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.803384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.803384 (E_RNA)
where:
Base-Base interactions energy: -452.952
where: short stacking energy: -183.590
Base-Backbone interact. energy: -0.125
local terms energy: -186.726870
where:
bonds (distance) C4'-P energy: -39.399
bonds (distance) P-C4' energy: -34.491
flat angles C4'-P-C4' energy: -41.594
flat angles P-C4'-P energy: -22.992
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: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -650.573552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.573552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.573552 (E_RNA)
where:
Base-Base interactions energy: -444.096
where: short stacking energy: -189.352
Base-Backbone interact. energy: -0.996
local terms energy: -205.481348
where:
bonds (distance) C4'-P energy: -34.748
bonds (distance) P-C4' energy: -39.636
flat angles C4'-P-C4' energy: -43.233
flat angles P-C4'-P energy: -31.864
tors. eta vs tors. theta energy: -56.001
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: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -598.885820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.885820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.885820 (E_RNA)
where:
Base-Base interactions energy: -413.678
where: short stacking energy: -170.403
Base-Backbone interact. energy: 1.638
local terms energy: -186.846347
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -39.602
flat angles C4'-P-C4' energy: -37.296
flat angles P-C4'-P energy: -28.472
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: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -532.784414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.784414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.784414 (E_RNA)
where:
Base-Base interactions energy: -350.932
where: short stacking energy: -162.545
Base-Backbone interact. energy: -0.639
local terms energy: -181.213432
where:
bonds (distance) C4'-P energy: -35.978
bonds (distance) P-C4' energy: -37.008
flat angles C4'-P-C4' energy: -39.538
flat angles P-C4'-P energy: -32.190
tors. eta vs tors. theta energy: -36.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -551.228546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.228546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.228546 (E_RNA)
where:
Base-Base interactions energy: -372.737
where: short stacking energy: -172.152
Base-Backbone interact. energy: -0.265
local terms energy: -178.226543
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -36.414
flat angles C4'-P-C4' energy: -34.870
flat angles P-C4'-P energy: -27.871
tors. eta vs tors. theta energy: -47.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -484.331869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.331869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.331869 (E_RNA)
where:
Base-Base interactions energy: -304.302
where: short stacking energy: -153.386
Base-Backbone interact. energy: -0.881
local terms energy: -179.148765
where:
bonds (distance) C4'-P energy: -33.821
bonds (distance) P-C4' energy: -35.844
flat angles C4'-P-C4' energy: -39.994
flat angles P-C4'-P energy: -29.650
tors. eta vs tors. theta energy: -39.840
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: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -394.382181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.382181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.382181 (E_RNA)
where:
Base-Base interactions energy: -246.265
where: short stacking energy: -108.222
Base-Backbone interact. energy: -1.494
local terms energy: -146.623537
where:
bonds (distance) C4'-P energy: -38.345
bonds (distance) P-C4' energy: -29.179
flat angles C4'-P-C4' energy: -37.850
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -21.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -271.500525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.500525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.500525 (E_RNA)
where:
Base-Base interactions energy: -135.033
where: short stacking energy: -79.953
Base-Backbone interact. energy: -0.321
local terms energy: -136.146802
where:
bonds (distance) C4'-P energy: -32.953
bonds (distance) P-C4' energy: -33.489
flat angles C4'-P-C4' energy: -38.139
flat angles P-C4'-P energy: -23.927
tors. eta vs tors. theta energy: -7.640
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: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -347.235159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.235159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.235159 (E_RNA)
where:
Base-Base interactions energy: -211.637
where: short stacking energy: -111.195
Base-Backbone interact. energy: -0.421
local terms energy: -135.177589
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -34.839
flat angles C4'-P-C4' energy: -37.898
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -159.579157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.579157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.579157 (E_RNA)
where:
Base-Base interactions energy: -63.476
where: short stacking energy: -43.519
Base-Backbone interact. energy: -0.790
local terms energy: -95.313443
where:
bonds (distance) C4'-P energy: -32.612
bonds (distance) P-C4' energy: -35.723
flat angles C4'-P-C4' energy: -8.568
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: 1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -644.105307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.105307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.105307 (E_RNA)
where:
Base-Base interactions energy: -440.829
where: short stacking energy: -189.943
Base-Backbone interact. energy: 0.035
local terms energy: -203.310874
where:
bonds (distance) C4'-P energy: -36.031
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -43.318
flat angles P-C4'-P energy: -32.150
tors. eta vs tors. theta energy: -57.193
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: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -645.814530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.814530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.814530 (E_RNA)
where:
Base-Base interactions energy: -452.162
where: short stacking energy: -196.745
Base-Backbone interact. energy: -0.567
local terms energy: -193.085263
where:
bonds (distance) C4'-P energy: -42.835
bonds (distance) P-C4' energy: -32.497
flat angles C4'-P-C4' energy: -39.179
flat angles P-C4'-P energy: -25.466
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: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -627.640966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.640966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.640966 (E_RNA)
where:
Base-Base interactions energy: -425.588
where: short stacking energy: -174.390
Base-Backbone interact. energy: -0.445
local terms energy: -201.608125
where:
bonds (distance) C4'-P energy: -42.784
bonds (distance) P-C4' energy: -35.092
flat angles C4'-P-C4' energy: -43.475
flat angles P-C4'-P energy: -26.056
tors. eta vs tors. theta energy: -54.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -545.196765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.196765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.196765 (E_RNA)
where:
Base-Base interactions energy: -360.075
where: short stacking energy: -170.665
Base-Backbone interact. energy: -0.435
local terms energy: -184.687144
where:
bonds (distance) C4'-P energy: -39.444
bonds (distance) P-C4' energy: -42.629
flat angles C4'-P-C4' energy: -33.243
flat angles P-C4'-P energy: -29.796
tors. eta vs tors. theta energy: -39.576
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: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -537.481306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.481306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.481306 (E_RNA)
where:
Base-Base interactions energy: -356.531
where: short stacking energy: -166.039
Base-Backbone interact. energy: -0.545
local terms energy: -180.405266
where:
bonds (distance) C4'-P energy: -36.322
bonds (distance) P-C4' energy: -33.745
flat angles C4'-P-C4' energy: -41.023
flat angles P-C4'-P energy: -24.177
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: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -478.290496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.290496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.290496 (E_RNA)
where:
Base-Base interactions energy: -308.555
where: short stacking energy: -143.711
Base-Backbone interact. energy: -0.381
local terms energy: -169.353699
where:
bonds (distance) C4'-P energy: -38.770
bonds (distance) P-C4' energy: -31.921
flat angles C4'-P-C4' energy: -37.410
flat angles P-C4'-P energy: -24.760
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: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -387.062299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.062299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.062299 (E_RNA)
where:
Base-Base interactions energy: -230.587
where: short stacking energy: -116.450
Base-Backbone interact. energy: -0.284
local terms energy: -156.191873
where:
bonds (distance) C4'-P energy: -40.195
bonds (distance) P-C4' energy: -35.118
flat angles C4'-P-C4' energy: -34.732
flat angles P-C4'-P energy: -31.895
tors. eta vs tors. theta energy: -14.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -287.693160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.693160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.693160 (E_RNA)
where:
Base-Base interactions energy: -153.791
where: short stacking energy: -77.142
Base-Backbone interact. energy: -0.166
local terms energy: -133.735838
where:
bonds (distance) C4'-P energy: -40.876
bonds (distance) P-C4' energy: -31.759
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -324.044229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.044229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.044229 (E_RNA)
where:
Base-Base interactions energy: -203.737
where: short stacking energy: -97.652
Base-Backbone interact. energy: 1.289
local terms energy: -121.596026
where:
bonds (distance) C4'-P energy: -31.816
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -22.818
tors. eta vs tors. theta energy: -13.169
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: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -194.252081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.252081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.252081 (E_RNA)
where:
Base-Base interactions energy: -68.319
where: short stacking energy: -34.858
Base-Backbone interact. energy: -0.464
local terms energy: -125.469539
where:
bonds (distance) C4'-P energy: -40.484
bonds (distance) P-C4' energy: -44.424
flat angles C4'-P-C4' energy: -25.310
flat angles P-C4'-P energy: -22.949
tors. eta vs tors. theta energy: 7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -635.983045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.983045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.983045 (E_RNA)
where:
Base-Base interactions energy: -429.469
where: short stacking energy: -185.646
Base-Backbone interact. energy: 0.226
local terms energy: -206.740287
where:
bonds (distance) C4'-P energy: -31.792
bonds (distance) P-C4' energy: -45.266
flat angles C4'-P-C4' energy: -44.826
flat angles P-C4'-P energy: -30.780
tors. eta vs tors. theta energy: -54.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -646.297219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.297219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.297219 (E_RNA)
where:
Base-Base interactions energy: -464.823
where: short stacking energy: -192.100
Base-Backbone interact. energy: 0.943
local terms energy: -182.417019
where:
bonds (distance) C4'-P energy: -35.277
bonds (distance) P-C4' energy: -34.829
flat angles C4'-P-C4' energy: -42.678
flat angles P-C4'-P energy: -24.858
tors. eta vs tors. theta energy: -44.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -620.420030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.420030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.420030 (E_RNA)
where:
Base-Base interactions energy: -413.358
where: short stacking energy: -177.686
Base-Backbone interact. energy: -0.582
local terms energy: -206.480112
where:
bonds (distance) C4'-P energy: -40.521
bonds (distance) P-C4' energy: -36.683
flat angles C4'-P-C4' energy: -42.806
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: -58.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -551.357568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.357568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.357568 (E_RNA)
where:
Base-Base interactions energy: -365.881
where: short stacking energy: -162.254
Base-Backbone interact. energy: 2.545
local terms energy: -188.022249
where:
bonds (distance) C4'-P energy: -42.278
bonds (distance) P-C4' energy: -37.329
flat angles C4'-P-C4' energy: -42.431
flat angles P-C4'-P energy: -20.447
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: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -516.835782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.835782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.835782 (E_RNA)
where:
Base-Base interactions energy: -349.238
where: short stacking energy: -149.416
Base-Backbone interact. energy: -1.046
local terms energy: -166.552473
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -35.647
flat angles C4'-P-C4' energy: -35.098
flat angles P-C4'-P energy: -29.760
tors. eta vs tors. theta energy: -39.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -451.742453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.742453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.742453 (E_RNA)
where:
Base-Base interactions energy: -282.852
where: short stacking energy: -124.560
Base-Backbone interact. energy: 1.032
local terms energy: -169.923194
where:
bonds (distance) C4'-P energy: -32.207
bonds (distance) P-C4' energy: -40.955
flat angles C4'-P-C4' energy: -38.915
flat angles P-C4'-P energy: -26.946
tors. eta vs tors. theta energy: -30.900
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: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -406.145856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.145856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.145856 (E_RNA)
where:
Base-Base interactions energy: -262.546
where: short stacking energy: -118.295
Base-Backbone interact. energy: 0.412
local terms energy: -144.012514
where:
bonds (distance) C4'-P energy: -33.495
bonds (distance) P-C4' energy: -41.041
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -23.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -340.420932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.420932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.420932 (E_RNA)
where:
Base-Base interactions energy: -203.291
where: short stacking energy: -97.275
Base-Backbone interact. energy: 0.712
local terms energy: -137.841248
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -41.771
flat angles C4'-P-C4' energy: -31.397
flat angles P-C4'-P energy: -24.272
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -271.178194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.178194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.178194 (E_RNA)
where:
Base-Base interactions energy: -150.656
where: short stacking energy: -86.075
Base-Backbone interact. energy: -1.782
local terms energy: -118.740533
where:
bonds (distance) C4'-P energy: -38.092
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -30.136
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -9.869
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: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -171.513442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.513442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.513442 (E_RNA)
where:
Base-Base interactions energy: -67.777
where: short stacking energy: -35.262
Base-Backbone interact. energy: 0.155
local terms energy: -103.891481
where:
bonds (distance) C4'-P energy: -32.971
bonds (distance) P-C4' energy: -34.764
flat angles C4'-P-C4' energy: -30.986
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: 11.405
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: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -663.034143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.034143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.034143 (E_RNA)
where:
Base-Base interactions energy: -453.492
where: short stacking energy: -186.453
Base-Backbone interact. energy: -0.091
local terms energy: -209.451427
where:
bonds (distance) C4'-P energy: -38.902
bonds (distance) P-C4' energy: -43.334
flat angles C4'-P-C4' energy: -43.829
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -48.523
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: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -632.561523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.561523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.561523 (E_RNA)
where:
Base-Base interactions energy: -433.431
where: short stacking energy: -192.970
Base-Backbone interact. energy: 0.470
local terms energy: -199.600548
where:
bonds (distance) C4'-P energy: -35.486
bonds (distance) P-C4' energy: -40.614
flat angles C4'-P-C4' energy: -36.753
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -58.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -623.850527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.850527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.850527 (E_RNA)
where:
Base-Base interactions energy: -433.750
where: short stacking energy: -188.618
Base-Backbone interact. energy: -0.566
local terms energy: -189.534932
where:
bonds (distance) C4'-P energy: -30.274
bonds (distance) P-C4' energy: -42.452
flat angles C4'-P-C4' energy: -34.817
flat angles P-C4'-P energy: -25.314
tors. eta vs tors. theta energy: -56.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -555.566225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.566225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.566225 (E_RNA)
where:
Base-Base interactions energy: -369.688
where: short stacking energy: -178.624
Base-Backbone interact. energy: -0.494
local terms energy: -185.384121
where:
bonds (distance) C4'-P energy: -36.974
bonds (distance) P-C4' energy: -31.758
flat angles C4'-P-C4' energy: -41.601
flat angles P-C4'-P energy: -26.007
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: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -507.244233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.244233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.244233 (E_RNA)
where:
Base-Base interactions energy: -346.395
where: short stacking energy: -139.743
Base-Backbone interact. energy: 0.284
local terms energy: -161.133144
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -39.108
flat angles C4'-P-C4' energy: -40.751
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -27.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -480.142555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.142555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.142555 (E_RNA)
where:
Base-Base interactions energy: -332.822
where: short stacking energy: -165.561
Base-Backbone interact. energy: 1.246
local terms energy: -148.566372
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -35.413
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -33.476
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: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -421.024871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.024871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.024871 (E_RNA)
where:
Base-Base interactions energy: -269.153
where: short stacking energy: -125.111
Base-Backbone interact. energy: 0.368
local terms energy: -152.239429
where:
bonds (distance) C4'-P energy: -37.580
bonds (distance) P-C4' energy: -40.244
flat angles C4'-P-C4' energy: -33.638
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -27.045
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: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -375.555880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.555880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.555880 (E_RNA)
where:
Base-Base interactions energy: -224.897
where: short stacking energy: -94.309
Base-Backbone interact. energy: 2.120
local terms energy: -152.779466
where:
bonds (distance) C4'-P energy: -34.835
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -26.542
tors. eta vs tors. theta energy: -18.757
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: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -287.428908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.428908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.428908 (E_RNA)
where:
Base-Base interactions energy: -171.931
where: short stacking energy: -85.852
Base-Backbone interact. energy: -1.411
local terms energy: -114.086210
where:
bonds (distance) C4'-P energy: -37.661
bonds (distance) P-C4' energy: -27.342
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -165.353834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.353834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.353834 (E_RNA)
where:
Base-Base interactions energy: -67.738
where: short stacking energy: -40.682
Base-Backbone interact. energy: -2.469
local terms energy: -95.147400
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -35.635
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: 6.503
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: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -666.024928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.024928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.024928 (E_RNA)
where:
Base-Base interactions energy: -461.437
where: short stacking energy: -188.999
Base-Backbone interact. energy: -0.600
local terms energy: -203.988363
where:
bonds (distance) C4'-P energy: -44.383
bonds (distance) P-C4' energy: -38.021
flat angles C4'-P-C4' energy: -41.642
flat angles P-C4'-P energy: -28.363
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: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -627.498024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.498024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.498024 (E_RNA)
where:
Base-Base interactions energy: -424.477
where: short stacking energy: -175.891
Base-Backbone interact. energy: 1.315
local terms energy: -204.336100
where:
bonds (distance) C4'-P energy: -41.452
bonds (distance) P-C4' energy: -36.814
flat angles C4'-P-C4' energy: -41.636
flat angles P-C4'-P energy: -31.837
tors. eta vs tors. theta energy: -52.597
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: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -608.311343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.311343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.311343 (E_RNA)
where:
Base-Base interactions energy: -431.166
where: short stacking energy: -168.346
Base-Backbone interact. energy: -1.220
local terms energy: -175.925881
where:
bonds (distance) C4'-P energy: -33.479
bonds (distance) P-C4' energy: -30.102
flat angles C4'-P-C4' energy: -36.529
flat angles P-C4'-P energy: -24.369
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: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -573.332602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.332602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.332602 (E_RNA)
where:
Base-Base interactions energy: -387.038
where: short stacking energy: -177.857
Base-Backbone interact. energy: -0.872
local terms energy: -185.422672
where:
bonds (distance) C4'-P energy: -35.945
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -36.777
flat angles P-C4'-P energy: -26.398
tors. eta vs tors. theta energy: -55.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -505.089257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.089257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.089257 (E_RNA)
where:
Base-Base interactions energy: -337.757
where: short stacking energy: -151.890
Base-Backbone interact. energy: -1.247
local terms energy: -166.085707
where:
bonds (distance) C4'-P energy: -28.611
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -40.484
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: -35.890
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: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -475.612102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.612102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.612102 (E_RNA)
where:
Base-Base interactions energy: -302.895
where: short stacking energy: -134.050
Base-Backbone interact. energy: -0.288
local terms energy: -172.429052
where:
bonds (distance) C4'-P energy: -37.777
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -36.065
flat angles P-C4'-P energy: -23.952
tors. eta vs tors. theta energy: -37.386
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: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -488.786077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.786077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.786077 (E_RNA)
where:
Base-Base interactions energy: -317.557
where: short stacking energy: -149.739
Base-Backbone interact. energy: -0.137
local terms energy: -171.091677
where:
bonds (distance) C4'-P energy: -30.984
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -36.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -275.211853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.211853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.211853 (E_RNA)
where:
Base-Base interactions energy: -145.125
where: short stacking energy: -72.302
Base-Backbone interact. energy: -0.327
local terms energy: -129.759799
where:
bonds (distance) C4'-P energy: -29.152
bonds (distance) P-C4' energy: -37.002
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -303.668410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.668410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.668410 (E_RNA)
where:
Base-Base interactions energy: -171.565
where: short stacking energy: -75.271
Base-Backbone interact. energy: -0.894
local terms energy: -131.208825
where:
bonds (distance) C4'-P energy: -35.212
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -36.836
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -164.881592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.881592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.881592 (E_RNA)
where:
Base-Base interactions energy: -58.999
where: short stacking energy: -47.691
Base-Backbone interact. energy: 0.585
local terms energy: -106.467416
where:
bonds (distance) C4'-P energy: -30.609
bonds (distance) P-C4' energy: -35.367
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: 0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -655.141646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.141646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.141646 (E_RNA)
where:
Base-Base interactions energy: -449.632
where: short stacking energy: -189.954
Base-Backbone interact. energy: 0.656
local terms energy: -206.165122
where:
bonds (distance) C4'-P energy: -36.335
bonds (distance) P-C4' energy: -41.164
flat angles C4'-P-C4' energy: -45.390
flat angles P-C4'-P energy: -31.163
tors. eta vs tors. theta energy: -52.113
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: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -639.464740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.464740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.464740 (E_RNA)
where:
Base-Base interactions energy: -439.397
where: short stacking energy: -178.653
Base-Backbone interact. energy: -0.443
local terms energy: -199.623921
where:
bonds (distance) C4'-P energy: -35.710
bonds (distance) P-C4' energy: -41.331
flat angles C4'-P-C4' energy: -43.038
flat angles P-C4'-P energy: -25.940
tors. eta vs tors. theta energy: -53.605
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: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -624.339329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.339329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.339329 (E_RNA)
where:
Base-Base interactions energy: -423.112
where: short stacking energy: -182.743
Base-Backbone interact. energy: -0.055
local terms energy: -201.172433
where:
bonds (distance) C4'-P energy: -40.182
bonds (distance) P-C4' energy: -35.754
flat angles C4'-P-C4' energy: -42.359
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -57.877
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: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -603.114443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.114443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.114443 (E_RNA)
where:
Base-Base interactions energy: -405.543
where: short stacking energy: -190.144
Base-Backbone interact. energy: -1.714
local terms energy: -195.857342
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -36.506
flat angles P-C4'-P energy: -28.640
tors. eta vs tors. theta energy: -62.205
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: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -503.618909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.618909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.618909 (E_RNA)
where:
Base-Base interactions energy: -336.675
where: short stacking energy: -136.269
Base-Backbone interact. energy: -0.798
local terms energy: -166.145664
where:
bonds (distance) C4'-P energy: -36.991
bonds (distance) P-C4' energy: -33.168
flat angles C4'-P-C4' energy: -31.612
flat angles P-C4'-P energy: -26.645
tors. eta vs tors. theta energy: -37.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -475.131381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.131381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.131381 (E_RNA)
where:
Base-Base interactions energy: -317.797
where: short stacking energy: -154.949
Base-Backbone interact. energy: -2.509
local terms energy: -154.825163
where:
bonds (distance) C4'-P energy: -30.545
bonds (distance) P-C4' energy: -37.930
flat angles C4'-P-C4' energy: -32.580
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -32.214
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: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -443.331454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.331454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.331454 (E_RNA)
where:
Base-Base interactions energy: -281.283
where: short stacking energy: -122.905
Base-Backbone interact. energy: -0.446
local terms energy: -161.602544
where:
bonds (distance) C4'-P energy: -35.864
bonds (distance) P-C4' energy: -33.843
flat angles C4'-P-C4' energy: -37.923
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -33.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -283.393266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.393266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.393266 (E_RNA)
where:
Base-Base interactions energy: -148.040
where: short stacking energy: -91.033
Base-Backbone interact. energy: -0.771
local terms energy: -134.582604
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -29.652
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -29.607
tors. eta vs tors. theta energy: -6.605
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: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -181.471963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.471963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.471963 (E_RNA)
where:
Base-Base interactions energy: -66.902
where: short stacking energy: -62.941
Base-Backbone interact. energy: 0.391
local terms energy: -114.960397
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -27.974
flat angles P-C4'-P energy: -20.300
tors. eta vs tors. theta energy: -5.970
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: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -256.853258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.853258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.853258 (E_RNA)
where:
Base-Base interactions energy: -132.601
where: short stacking energy: -77.075
Base-Backbone interact. energy: 0.438
local terms energy: -124.691081
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -38.637
flat angles C4'-P-C4' energy: -35.096
flat angles P-C4'-P energy: -13.605
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: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -666.595077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.595077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.595077 (E_RNA)
where:
Base-Base interactions energy: -465.788
where: short stacking energy: -195.452
Base-Backbone interact. energy: -0.293
local terms energy: -200.514404
where:
bonds (distance) C4'-P energy: -36.466
bonds (distance) P-C4' energy: -39.062
flat angles C4'-P-C4' energy: -41.285
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -55.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -622.031932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.031932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.031932 (E_RNA)
where:
Base-Base interactions energy: -418.868
where: short stacking energy: -184.590
Base-Backbone interact. energy: -1.201
local terms energy: -201.963448
where:
bonds (distance) C4'-P energy: -36.930
bonds (distance) P-C4' energy: -40.794
flat angles C4'-P-C4' energy: -44.079
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -57.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -590.484325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.484325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.484325 (E_RNA)
where:
Base-Base interactions energy: -405.289
where: short stacking energy: -175.709
Base-Backbone interact. energy: -0.343
local terms energy: -184.853008
where:
bonds (distance) C4'-P energy: -38.281
bonds (distance) P-C4' energy: -33.173
flat angles C4'-P-C4' energy: -40.394
flat angles P-C4'-P energy: -26.446
tors. eta vs tors. theta energy: -46.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -615.478694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.478694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.478694 (E_RNA)
where:
Base-Base interactions energy: -418.810
where: short stacking energy: -192.161
Base-Backbone interact. energy: -0.758
local terms energy: -195.910938
where:
bonds (distance) C4'-P energy: -38.493
bonds (distance) P-C4' energy: -35.720
flat angles C4'-P-C4' energy: -35.397
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -61.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -521.620887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.620887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.620887 (E_RNA)
where:
Base-Base interactions energy: -331.002
where: short stacking energy: -147.629
Base-Backbone interact. energy: 0.173
local terms energy: -190.792359
where:
bonds (distance) C4'-P energy: -39.264
bonds (distance) P-C4' energy: -41.376
flat angles C4'-P-C4' energy: -42.168
flat angles P-C4'-P energy: -28.317
tors. eta vs tors. theta energy: -39.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -496.241845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.241845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.241845 (E_RNA)
where:
Base-Base interactions energy: -323.884
where: short stacking energy: -143.514
Base-Backbone interact. energy: -0.196
local terms energy: -172.161831
where:
bonds (distance) C4'-P energy: -39.309
bonds (distance) P-C4' energy: -35.956
flat angles C4'-P-C4' energy: -37.888
flat angles P-C4'-P energy: -27.230
tors. eta vs tors. theta energy: -31.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -415.413029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.413029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.413029 (E_RNA)
where:
Base-Base interactions energy: -256.766
where: short stacking energy: -118.804
Base-Backbone interact. energy: -1.159
local terms energy: -157.488196
where:
bonds (distance) C4'-P energy: -27.352
bonds (distance) P-C4' energy: -44.338
flat angles C4'-P-C4' energy: -34.937
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -27.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -269.511032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.511032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.511032 (E_RNA)
where:
Base-Base interactions energy: -141.526
where: short stacking energy: -68.950
Base-Backbone interact. energy: 0.163
local terms energy: -128.148259
where:
bonds (distance) C4'-P energy: -40.418
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -23.037
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -192.860602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.860602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.860602 (E_RNA)
where:
Base-Base interactions energy: -70.424
where: short stacking energy: -65.188
Base-Backbone interact. energy: 0.434
local terms energy: -122.870410
where:
bonds (distance) C4'-P energy: -30.858
bonds (distance) P-C4' energy: -32.197
flat angles C4'-P-C4' energy: -32.725
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: 0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -255.055269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.055269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.055269 (E_RNA)
where:
Base-Base interactions energy: -128.996
where: short stacking energy: -68.658
Base-Backbone interact. energy: -1.182
local terms energy: -124.877553
where:
bonds (distance) C4'-P energy: -33.038
bonds (distance) P-C4' energy: -32.581
flat angles C4'-P-C4' energy: -27.719
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -12.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -661.160469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.160469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.160469 (E_RNA)
where:
Base-Base interactions energy: -445.539
where: short stacking energy: -191.655
Base-Backbone interact. energy: -1.487
local terms energy: -214.134471
where:
bonds (distance) C4'-P energy: -42.690
bonds (distance) P-C4' energy: -40.669
flat angles C4'-P-C4' energy: -44.652
flat angles P-C4'-P energy: -32.490
tors. eta vs tors. theta energy: -53.633
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: 382
Temperature: 0.950000
Total energy: -623.561602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.561602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.561602 (E_RNA)
where:
Base-Base interactions energy: -421.419
where: short stacking energy: -193.977
Base-Backbone interact. energy: -0.203
local terms energy: -201.939719
where:
bonds (distance) C4'-P energy: -34.415
bonds (distance) P-C4' energy: -39.445
flat angles C4'-P-C4' energy: -43.950
flat angles P-C4'-P energy: -23.721
tors. eta vs tors. theta energy: -60.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -635.953409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.953409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.953409 (E_RNA)
where:
Base-Base interactions energy: -426.916
where: short stacking energy: -199.048
Base-Backbone interact. energy: -0.169
local terms energy: -208.868533
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -36.488
flat angles C4'-P-C4' energy: -44.726
flat angles P-C4'-P energy: -34.265
tors. eta vs tors. theta energy: -65.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -590.908254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.908254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.908254 (E_RNA)
where:
Base-Base interactions energy: -394.295
where: short stacking energy: -176.911
Base-Backbone interact. energy: -0.807
local terms energy: -195.805574
where:
bonds (distance) C4'-P energy: -34.461
bonds (distance) P-C4' energy: -42.749
flat angles C4'-P-C4' energy: -39.372
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -57.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -526.135518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.135518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.135518 (E_RNA)
where:
Base-Base interactions energy: -350.208
where: short stacking energy: -154.833
Base-Backbone interact. energy: -1.193
local terms energy: -174.735050
where:
bonds (distance) C4'-P energy: -37.136
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -42.746
flat angles P-C4'-P energy: -22.387
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: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -483.445409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.445409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.445409 (E_RNA)
where:
Base-Base interactions energy: -327.887
where: short stacking energy: -152.149
Base-Backbone interact. energy: -0.601
local terms energy: -154.957472
where:
bonds (distance) C4'-P energy: -32.619
bonds (distance) P-C4' energy: -31.670
flat angles C4'-P-C4' energy: -35.757
flat angles P-C4'-P energy: -26.660
tors. eta vs tors. theta energy: -28.251
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: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -442.202969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.202969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.202969 (E_RNA)
where:
Base-Base interactions energy: -296.147
where: short stacking energy: -131.011
Base-Backbone interact. energy: 2.806
local terms energy: -148.862498
where:
bonds (distance) C4'-P energy: -32.823
bonds (distance) P-C4' energy: -34.080
flat angles C4'-P-C4' energy: -29.269
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -32.578
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: 2
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -267.862183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.862183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.862183 (E_RNA)
where:
Base-Base interactions energy: -134.558
where: short stacking energy: -71.378
Base-Backbone interact. energy: -0.244
local terms energy: -133.060219
where:
bonds (distance) C4'-P energy: -34.541
bonds (distance) P-C4' energy: -40.977
flat angles C4'-P-C4' energy: -36.730
flat angles P-C4'-P energy: -21.916
tors. eta vs tors. theta energy: 1.105
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: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -259.555307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.555307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.555307 (E_RNA)
where:
Base-Base interactions energy: -147.781
where: short stacking energy: -65.858
Base-Backbone interact. energy: -1.802
local terms energy: -109.972889
where:
bonds (distance) C4'-P energy: -30.150
bonds (distance) P-C4' energy: -29.487
flat angles C4'-P-C4' energy: -31.465
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -170.599603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.599603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.599603 (E_RNA)
where:
Base-Base interactions energy: -55.538
where: short stacking energy: -50.079
Base-Backbone interact. energy: -0.331
local terms energy: -114.730852
where:
bonds (distance) C4'-P energy: -32.974
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -21.632
tors. eta vs tors. theta energy: 5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -655.184800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.184800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.184800 (E_RNA)
where:
Base-Base interactions energy: -448.358
where: short stacking energy: -183.321
Base-Backbone interact. energy: -0.686
local terms energy: -206.140846
where:
bonds (distance) C4'-P energy: -42.325
bonds (distance) P-C4' energy: -41.933
flat angles C4'-P-C4' energy: -35.172
flat angles P-C4'-P energy: -29.992
tors. eta vs tors. theta energy: -56.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -644.067648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.067648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.067648 (E_RNA)
where:
Base-Base interactions energy: -427.945
where: short stacking energy: -194.660
Base-Backbone interact. energy: -1.185
local terms energy: -214.937417
where:
bonds (distance) C4'-P energy: -44.415
bonds (distance) P-C4' energy: -34.986
flat angles C4'-P-C4' energy: -41.065
flat angles P-C4'-P energy: -33.642
tors. eta vs tors. theta energy: -60.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -616.020209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.020209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.020209 (E_RNA)
where:
Base-Base interactions energy: -408.265
where: short stacking energy: -187.524
Base-Backbone interact. energy: -0.349
local terms energy: -207.405637
where:
bonds (distance) C4'-P energy: -35.837
bonds (distance) P-C4' energy: -40.222
flat angles C4'-P-C4' energy: -44.002
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -58.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -593.053731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.053731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.053731 (E_RNA)
where:
Base-Base interactions energy: -401.894
where: short stacking energy: -165.667
Base-Backbone interact. energy: -1.041
local terms energy: -190.118911
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -39.822
flat angles C4'-P-C4' energy: -46.721
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -47.630
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: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -534.965509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.965509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.965509 (E_RNA)
where:
Base-Base interactions energy: -351.432
where: short stacking energy: -154.109
Base-Backbone interact. energy: -0.421
local terms energy: -183.112859
where:
bonds (distance) C4'-P energy: -35.631
bonds (distance) P-C4' energy: -35.410
flat angles C4'-P-C4' energy: -41.782
flat angles P-C4'-P energy: -29.871
tors. eta vs tors. theta energy: -40.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -463.503309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.503309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.503309 (E_RNA)
where:
Base-Base interactions energy: -294.323
where: short stacking energy: -127.521
Base-Backbone interact. energy: -0.351
local terms energy: -168.829634
where:
bonds (distance) C4'-P energy: -29.451
bonds (distance) P-C4' energy: -42.972
flat angles C4'-P-C4' energy: -37.399
flat angles P-C4'-P energy: -28.908
tors. eta vs tors. theta energy: -30.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -470.268034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.268034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.268034 (E_RNA)
where:
Base-Base interactions energy: -321.509
where: short stacking energy: -150.549
Base-Backbone interact. energy: -1.040
local terms energy: -147.719189
where:
bonds (distance) C4'-P energy: -29.331
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -45.671
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -30.905
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: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -278.919516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.919516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.919516 (E_RNA)
where:
Base-Base interactions energy: -156.719
where: short stacking energy: -79.023
Base-Backbone interact. energy: -0.662
local terms energy: -121.537948
where:
bonds (distance) C4'-P energy: -35.491
bonds (distance) P-C4' energy: -36.417
flat angles C4'-P-C4' energy: -37.410
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -257.408304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.408304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.408304 (E_RNA)
where:
Base-Base interactions energy: -134.449
where: short stacking energy: -78.762
Base-Backbone interact. energy: -0.598
local terms energy: -122.360678
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -33.517
flat angles C4'-P-C4' energy: -33.096
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -6.851
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: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -162.257122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.257122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.257122 (E_RNA)
where:
Base-Base interactions energy: -56.555
where: short stacking energy: -47.634
Base-Backbone interact. energy: 0.662
local terms energy: -106.364869
where:
bonds (distance) C4'-P energy: -32.932
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -19.251
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: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -651.741224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.741224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.741224 (E_RNA)
where:
Base-Base interactions energy: -434.436
where: short stacking energy: -202.296
Base-Backbone interact. energy: 0.222
local terms energy: -217.527000
where:
bonds (distance) C4'-P energy: -37.665
bonds (distance) P-C4' energy: -40.860
flat angles C4'-P-C4' energy: -44.898
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -65.647
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: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -640.619870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.619870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.619870 (E_RNA)
where:
Base-Base interactions energy: -437.521
where: short stacking energy: -179.781
Base-Backbone interact. energy: 0.733
local terms energy: -203.830911
where:
bonds (distance) C4'-P energy: -37.128
bonds (distance) P-C4' energy: -41.724
flat angles C4'-P-C4' energy: -47.204
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: -49.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -627.906307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906307 (E_RNA)
where:
Base-Base interactions energy: -417.690
where: short stacking energy: -189.972
Base-Backbone interact. energy: -0.020
local terms energy: -210.196350
where:
bonds (distance) C4'-P energy: -37.387
bonds (distance) P-C4' energy: -39.386
flat angles C4'-P-C4' energy: -39.597
flat angles P-C4'-P energy: -36.651
tors. eta vs tors. theta energy: -57.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -615.045567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.045567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.045567 (E_RNA)
where:
Base-Base interactions energy: -416.782
where: short stacking energy: -185.138
Base-Backbone interact. energy: -0.883
local terms energy: -197.380659
where:
bonds (distance) C4'-P energy: -29.798
bonds (distance) P-C4' energy: -36.301
flat angles C4'-P-C4' energy: -41.749
flat angles P-C4'-P energy: -31.332
tors. eta vs tors. theta energy: -58.199
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: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -471.196725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.196725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.196725 (E_RNA)
where:
Base-Base interactions energy: -300.230
where: short stacking energy: -139.441
Base-Backbone interact. energy: -0.407
local terms energy: -170.559679
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -39.459
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -33.936
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: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -515.357011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.357011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.357011 (E_RNA)
where:
Base-Base interactions energy: -345.640
where: short stacking energy: -170.158
Base-Backbone interact. energy: -0.455
local terms energy: -169.262263
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -39.931
flat angles C4'-P-C4' energy: -35.874
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -46.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -452.825568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.825568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.825568 (E_RNA)
where:
Base-Base interactions energy: -283.090
where: short stacking energy: -122.613
Base-Backbone interact. energy: -1.457
local terms energy: -168.278297
where:
bonds (distance) C4'-P energy: -39.143
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -31.036
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -296.344081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.344081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.344081 (E_RNA)
where:
Base-Base interactions energy: -162.016
where: short stacking energy: -89.117
Base-Backbone interact. energy: -0.288
local terms energy: -134.039729
where:
bonds (distance) C4'-P energy: -29.689
bonds (distance) P-C4' energy: -36.426
flat angles C4'-P-C4' energy: -32.371
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -261.952804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.952804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.952804 (E_RNA)
where:
Base-Base interactions energy: -148.650
where: short stacking energy: -80.728
Base-Backbone interact. energy: 0.533
local terms energy: -113.835953
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -37.408
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -20.280
tors. eta vs tors. theta energy: 0.349
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: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -186.282276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.282276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.282276 (E_RNA)
where:
Base-Base interactions energy: -69.243
where: short stacking energy: -62.980
Base-Backbone interact. energy: 0.492
local terms energy: -117.531034
where:
bonds (distance) C4'-P energy: -31.732
bonds (distance) P-C4' energy: -34.507
flat angles C4'-P-C4' energy: -30.958
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: 1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -653.015884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.015884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.015884 (E_RNA)
where:
Base-Base interactions energy: -424.516
where: short stacking energy: -196.596
Base-Backbone interact. energy: -1.805
local terms energy: -226.694924
where:
bonds (distance) C4'-P energy: -33.974
bonds (distance) P-C4' energy: -45.971
flat angles C4'-P-C4' energy: -46.906
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -65.394
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: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -641.171966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.171966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.171966 (E_RNA)
where:
Base-Base interactions energy: -443.883
where: short stacking energy: -190.740
Base-Backbone interact. energy: 0.639
local terms energy: -197.928249
where:
bonds (distance) C4'-P energy: -38.686
bonds (distance) P-C4' energy: -37.729
flat angles C4'-P-C4' energy: -40.027
flat angles P-C4'-P energy: -27.248
tors. eta vs tors. theta energy: -54.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -631.675045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.675045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.675045 (E_RNA)
where:
Base-Base interactions energy: -425.548
where: short stacking energy: -190.501
Base-Backbone interact. energy: -0.308
local terms energy: -205.819361
where:
bonds (distance) C4'-P energy: -36.056
bonds (distance) P-C4' energy: -44.972
flat angles C4'-P-C4' energy: -44.176
flat angles P-C4'-P energy: -30.734
tors. eta vs tors. theta energy: -49.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -600.799278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.799278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.799278 (E_RNA)
where:
Base-Base interactions energy: -411.848
where: short stacking energy: -165.105
Base-Backbone interact. energy: -0.738
local terms energy: -188.212965
where:
bonds (distance) C4'-P energy: -36.157
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -43.990
flat angles P-C4'-P energy: -33.891
tors. eta vs tors. theta energy: -47.310
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: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -480.922111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.922111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.922111 (E_RNA)
where:
Base-Base interactions energy: -305.943
where: short stacking energy: -149.785
Base-Backbone interact. energy: 0.059
local terms energy: -175.038050
where:
bonds (distance) C4'-P energy: -31.198
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -39.023
flat angles P-C4'-P energy: -24.369
tors. eta vs tors. theta energy: -43.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -468.562750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.562750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.562750 (E_RNA)
where:
Base-Base interactions energy: -300.479
where: short stacking energy: -138.391
Base-Backbone interact. energy: -0.308
local terms energy: -167.774841
where:
bonds (distance) C4'-P energy: -37.316
bonds (distance) P-C4' energy: -38.240
flat angles C4'-P-C4' energy: -36.164
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -31.773
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: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -434.949903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.949903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.949903 (E_RNA)
where:
Base-Base interactions energy: -281.005
where: short stacking energy: -129.066
Base-Backbone interact. energy: 1.130
local terms energy: -155.075100
where:
bonds (distance) C4'-P energy: -28.003
bonds (distance) P-C4' energy: -36.594
flat angles C4'-P-C4' energy: -38.437
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -28.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -262.488936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.488936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.488936 (E_RNA)
where:
Base-Base interactions energy: -136.664
where: short stacking energy: -74.821
Base-Backbone interact. energy: 0.485
local terms energy: -126.310034
where:
bonds (distance) C4'-P energy: -33.242
bonds (distance) P-C4' energy: -34.467
flat angles C4'-P-C4' energy: -35.344
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: 2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -346.108322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.108322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.108322 (E_RNA)
where:
Base-Base interactions energy: -229.097
where: short stacking energy: -93.277
Base-Backbone interact. energy: 2.233
local terms energy: -119.245018
where:
bonds (distance) C4'-P energy: -32.649
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -37.320
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -13.486
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: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -170.812639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.812639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.812639 (E_RNA)
where:
Base-Base interactions energy: -59.013
where: short stacking energy: -55.665
Base-Backbone interact. energy: -0.732
local terms energy: -111.066773
where:
bonds (distance) C4'-P energy: -35.400
bonds (distance) P-C4' energy: -40.306
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -0.558
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: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -645.072084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.072084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.072084 (E_RNA)
where:
Base-Base interactions energy: -451.468
where: short stacking energy: -187.092
Base-Backbone interact. energy: -0.557
local terms energy: -193.047314
where:
bonds (distance) C4'-P energy: -39.155
bonds (distance) P-C4' energy: -36.803
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -33.975
tors. eta vs tors. theta energy: -44.840
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: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -639.713731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.713731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.713731 (E_RNA)
where:
Base-Base interactions energy: -425.136
where: short stacking energy: -193.860
Base-Backbone interact. energy: -0.782
local terms energy: -213.796281
where:
bonds (distance) C4'-P energy: -41.629
bonds (distance) P-C4' energy: -40.123
flat angles C4'-P-C4' energy: -44.185
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -59.344
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: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -629.865243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.865243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.865243 (E_RNA)
where:
Base-Base interactions energy: -432.052
where: short stacking energy: -190.679
Base-Backbone interact. energy: 0.098
local terms energy: -197.911570
where:
bonds (distance) C4'-P energy: -36.618
bonds (distance) P-C4' energy: -35.724
flat angles C4'-P-C4' energy: -42.229
flat angles P-C4'-P energy: -26.060
tors. eta vs tors. theta energy: -57.280
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: 386
Temperature: 1.050000
Total energy: -594.509302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.509302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.509302 (E_RNA)
where:
Base-Base interactions energy: -402.226
where: short stacking energy: -174.300
Base-Backbone interact. energy: -0.693
local terms energy: -191.590114
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -41.656
flat angles C4'-P-C4' energy: -44.925
flat angles P-C4'-P energy: -28.591
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: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -498.004297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.004297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.004297 (E_RNA)
where:
Base-Base interactions energy: -322.171
where: short stacking energy: -151.066
Base-Backbone interact. energy: -2.079
local terms energy: -173.754458
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -35.992
flat angles C4'-P-C4' energy: -42.729
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -36.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -461.075668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.075668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.075668 (E_RNA)
where:
Base-Base interactions energy: -287.307
where: short stacking energy: -127.928
Base-Backbone interact. energy: 0.471
local terms energy: -174.240365
where:
bonds (distance) C4'-P energy: -42.250
bonds (distance) P-C4' energy: -37.791
flat angles C4'-P-C4' energy: -36.443
flat angles P-C4'-P energy: -24.857
tors. eta vs tors. theta energy: -32.899
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: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -427.522574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.522574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.522574 (E_RNA)
where:
Base-Base interactions energy: -270.822
where: short stacking energy: -119.480
Base-Backbone interact. energy: 0.333
local terms energy: -157.033695
where:
bonds (distance) C4'-P energy: -27.400
bonds (distance) P-C4' energy: -36.679
flat angles C4'-P-C4' energy: -37.839
flat angles P-C4'-P energy: -25.217
tors. eta vs tors. theta energy: -29.899
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: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -280.692627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.692627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.692627 (E_RNA)
where:
Base-Base interactions energy: -144.465
where: short stacking energy: -81.217
Base-Backbone interact. energy: -1.038
local terms energy: -135.190329
where:
bonds (distance) C4'-P energy: -36.337
bonds (distance) P-C4' energy: -35.222
flat angles C4'-P-C4' energy: -38.385
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -329.304267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.304267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.304267 (E_RNA)
where:
Base-Base interactions energy: -198.631
where: short stacking energy: -82.037
Base-Backbone interact. energy: 0.360
local terms energy: -131.032845
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -35.734
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -181.772929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.772929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.772929 (E_RNA)
where:
Base-Base interactions energy: -60.779
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.336
local terms energy: -120.657620
where:
bonds (distance) C4'-P energy: -38.435
bonds (distance) P-C4' energy: -30.529
flat angles C4'-P-C4' energy: -31.545
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -3.897
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: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -681.573401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.573401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.573401 (E_RNA)
where:
Base-Base interactions energy: -477.490
where: short stacking energy: -193.208
Base-Backbone interact. energy: 0.835
local terms energy: -204.918108
where:
bonds (distance) C4'-P energy: -38.628
bonds (distance) P-C4' energy: -37.876
flat angles C4'-P-C4' energy: -46.728
flat angles P-C4'-P energy: -31.434
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: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -639.666338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.666338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.666338 (E_RNA)
where:
Base-Base interactions energy: -442.543
where: short stacking energy: -217.962
Base-Backbone interact. energy: 0.034
local terms energy: -197.156923
where:
bonds (distance) C4'-P energy: -35.006
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -43.060
flat angles P-C4'-P energy: -25.808
tors. eta vs tors. theta energy: -64.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -621.670530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.670530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.670530 (E_RNA)
where:
Base-Base interactions energy: -441.167
where: short stacking energy: -188.137
Base-Backbone interact. energy: -0.821
local terms energy: -179.682347
where:
bonds (distance) C4'-P energy: -28.177
bonds (distance) P-C4' energy: -31.646
flat angles C4'-P-C4' energy: -35.529
flat angles P-C4'-P energy: -26.947
tors. eta vs tors. theta energy: -57.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -600.082881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.082881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.082881 (E_RNA)
where:
Base-Base interactions energy: -419.930
where: short stacking energy: -174.560
Base-Backbone interact. energy: -0.405
local terms energy: -179.747306
where:
bonds (distance) C4'-P energy: -34.671
bonds (distance) P-C4' energy: -35.871
flat angles C4'-P-C4' energy: -39.857
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -45.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -507.184455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.184455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.184455 (E_RNA)
where:
Base-Base interactions energy: -320.120
where: short stacking energy: -156.434
Base-Backbone interact. energy: 0.734
local terms energy: -187.797945
where:
bonds (distance) C4'-P energy: -36.790
bonds (distance) P-C4' energy: -39.778
flat angles C4'-P-C4' energy: -36.771
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -48.102
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: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -426.637771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.637771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.637771 (E_RNA)
where:
Base-Base interactions energy: -263.202
where: short stacking energy: -121.614
Base-Backbone interact. energy: -0.453
local terms energy: -162.982598
where:
bonds (distance) C4'-P energy: -36.870
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -41.139
flat angles P-C4'-P energy: -29.070
tors. eta vs tors. theta energy: -30.489
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: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -440.168758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.168758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.168758 (E_RNA)
where:
Base-Base interactions energy: -282.792
where: short stacking energy: -126.375
Base-Backbone interact. energy: -0.255
local terms energy: -157.121082
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -31.905
flat angles C4'-P-C4' energy: -38.349
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -31.666
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: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -312.201765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.201765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.201765 (E_RNA)
where:
Base-Base interactions energy: -183.345
where: short stacking energy: -84.097
Base-Backbone interact. energy: -0.231
local terms energy: -128.625432
where:
bonds (distance) C4'-P energy: -37.871
bonds (distance) P-C4' energy: -33.185
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -273.452280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.452280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.452280 (E_RNA)
where:
Base-Base interactions energy: -131.622
where: short stacking energy: -74.618
Base-Backbone interact. energy: 0.051
local terms energy: -141.881142
where:
bonds (distance) C4'-P energy: -32.229
bonds (distance) P-C4' energy: -34.110
flat angles C4'-P-C4' energy: -36.246
flat angles P-C4'-P energy: -23.831
tors. eta vs tors. theta energy: -15.466
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: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -168.476571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.476571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.476571 (E_RNA)
where:
Base-Base interactions energy: -63.447
where: short stacking energy: -51.248
Base-Backbone interact. energy: -0.457
local terms energy: -104.571959
where:
bonds (distance) C4'-P energy: -40.723
bonds (distance) P-C4' energy: -32.930
flat angles C4'-P-C4' energy: -30.114
flat angles P-C4'-P energy: -2.268
tors. eta vs tors. theta energy: 1.463
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: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -677.536071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.536071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.536071 (E_RNA)
where:
Base-Base interactions energy: -471.868
where: short stacking energy: -189.031
Base-Backbone interact. energy: 1.015
local terms energy: -206.683363
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -40.781
flat angles C4'-P-C4' energy: -42.956
flat angles P-C4'-P energy: -31.808
tors. eta vs tors. theta energy: -57.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -629.203759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.203759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.203759 (E_RNA)
where:
Base-Base interactions energy: -430.524
where: short stacking energy: -200.819
Base-Backbone interact. energy: -0.090
local terms energy: -198.589134
where:
bonds (distance) C4'-P energy: -33.313
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -42.389
flat angles P-C4'-P energy: -28.685
tors. eta vs tors. theta energy: -58.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -624.820055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.820055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.820055 (E_RNA)
where:
Base-Base interactions energy: -430.763
where: short stacking energy: -177.252
Base-Backbone interact. energy: 4.338
local terms energy: -198.395146
where:
bonds (distance) C4'-P energy: -28.430
bonds (distance) P-C4' energy: -42.337
flat angles C4'-P-C4' energy: -44.604
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: -53.661
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: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -594.114482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.114482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.114482 (E_RNA)
where:
Base-Base interactions energy: -401.629
where: short stacking energy: -165.813
Base-Backbone interact. energy: -0.448
local terms energy: -192.036798
where:
bonds (distance) C4'-P energy: -36.702
bonds (distance) P-C4' energy: -37.436
flat angles C4'-P-C4' energy: -38.342
flat angles P-C4'-P energy: -33.599
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: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -490.922452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.922452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.922452 (E_RNA)
where:
Base-Base interactions energy: -335.507
where: short stacking energy: -151.864
Base-Backbone interact. energy: -0.268
local terms energy: -155.147510
where:
bonds (distance) C4'-P energy: -35.348
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -25.397
tors. eta vs tors. theta energy: -30.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -416.892100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.892100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.892100 (E_RNA)
where:
Base-Base interactions energy: -252.000
where: short stacking energy: -127.879
Base-Backbone interact. energy: -0.942
local terms energy: -163.950084
where:
bonds (distance) C4'-P energy: -34.364
bonds (distance) P-C4' energy: -38.919
flat angles C4'-P-C4' energy: -37.868
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -25.290
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: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -432.194395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.194395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.194395 (E_RNA)
where:
Base-Base interactions energy: -272.537
where: short stacking energy: -114.641
Base-Backbone interact. energy: -0.493
local terms energy: -159.164325
where:
bonds (distance) C4'-P energy: -35.963
bonds (distance) P-C4' energy: -41.682
flat angles C4'-P-C4' energy: -38.089
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -24.008
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: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -339.664685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.664685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.664685 (E_RNA)
where:
Base-Base interactions energy: -197.517
where: short stacking energy: -102.229
Base-Backbone interact. energy: -0.548
local terms energy: -141.599296
where:
bonds (distance) C4'-P energy: -37.188
bonds (distance) P-C4' energy: -32.222
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -194.993199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.993199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.993199 (E_RNA)
where:
Base-Base interactions energy: -84.919
where: short stacking energy: -51.524
Base-Backbone interact. energy: -0.472
local terms energy: -109.601629
where:
bonds (distance) C4'-P energy: -26.559
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -33.651
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -0.581
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: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -257.926718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.926718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.926718 (E_RNA)
where:
Base-Base interactions energy: -135.572
where: short stacking energy: -81.722
Base-Backbone interact. energy: -0.476
local terms energy: -121.878702
where:
bonds (distance) C4'-P energy: -33.747
bonds (distance) P-C4' energy: -27.294
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -8.917
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: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -670.133175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.133175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.133175 (E_RNA)
where:
Base-Base interactions energy: -475.648
where: short stacking energy: -198.664
Base-Backbone interact. energy: 0.016
local terms energy: -194.501322
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -39.615
flat angles C4'-P-C4' energy: -39.458
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -56.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -655.627617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.627617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.627617 (E_RNA)
where:
Base-Base interactions energy: -453.280
where: short stacking energy: -204.737
Base-Backbone interact. energy: -0.169
local terms energy: -202.178327
where:
bonds (distance) C4'-P energy: -31.993
bonds (distance) P-C4' energy: -36.771
flat angles C4'-P-C4' energy: -44.109
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -62.340
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: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -629.336624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.336624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.336624 (E_RNA)
where:
Base-Base interactions energy: -412.242
where: short stacking energy: -195.976
Base-Backbone interact. energy: -0.715
local terms energy: -216.379753
where:
bonds (distance) C4'-P energy: -36.662
bonds (distance) P-C4' energy: -43.382
flat angles C4'-P-C4' energy: -45.186
flat angles P-C4'-P energy: -29.838
tors. eta vs tors. theta energy: -61.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -601.350142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.350142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.350142 (E_RNA)
where:
Base-Base interactions energy: -404.961
where: short stacking energy: -165.722
Base-Backbone interact. energy: -0.607
local terms energy: -195.781628
where:
bonds (distance) C4'-P energy: -33.527
bonds (distance) P-C4' energy: -38.468
flat angles C4'-P-C4' energy: -38.040
flat angles P-C4'-P energy: -28.756
tors. eta vs tors. theta energy: -56.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -492.766968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.766968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.766968 (E_RNA)
where:
Base-Base interactions energy: -320.438
where: short stacking energy: -148.850
Base-Backbone interact. energy: -0.326
local terms energy: -172.003700
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -38.681
flat angles C4'-P-C4' energy: -36.376
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -42.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -476.753805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.753805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.753805 (E_RNA)
where:
Base-Base interactions energy: -315.934
where: short stacking energy: -157.320
Base-Backbone interact. energy: -1.359
local terms energy: -159.461161
where:
bonds (distance) C4'-P energy: -29.714
bonds (distance) P-C4' energy: -41.475
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -35.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -398.963190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.963190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.963190 (E_RNA)
where:
Base-Base interactions energy: -263.654
where: short stacking energy: -122.522
Base-Backbone interact. energy: -0.677
local terms energy: -134.633079
where:
bonds (distance) C4'-P energy: -31.614
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -32.946
flat angles P-C4'-P energy: -27.223
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -351.155273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.155273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.155273 (E_RNA)
where:
Base-Base interactions energy: -206.625
where: short stacking energy: -100.621
Base-Backbone interact. energy: -0.413
local terms energy: -144.117523
where:
bonds (distance) C4'-P energy: -32.407
bonds (distance) P-C4' energy: -43.767
flat angles C4'-P-C4' energy: -40.089
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -177.532381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.532381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.532381 (E_RNA)
where:
Base-Base interactions energy: -74.207
where: short stacking energy: -61.778
Base-Backbone interact. energy: 1.397
local terms energy: -104.722219
where:
bonds (distance) C4'-P energy: -25.060
bonds (distance) P-C4' energy: -37.305
flat angles C4'-P-C4' energy: -30.575
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: 2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -236.278256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.278256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.278256 (E_RNA)
where:
Base-Base interactions energy: -125.613
where: short stacking energy: -68.880
Base-Backbone interact. energy: -0.446
local terms energy: -110.220119
where:
bonds (distance) C4'-P energy: -32.170
bonds (distance) P-C4' energy: -28.712
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -6.252
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: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -695.764346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.764346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.764346 (E_RNA)
where:
Base-Base interactions energy: -480.254
where: short stacking energy: -191.834
Base-Backbone interact. energy: -0.782
local terms energy: -214.728275
where:
bonds (distance) C4'-P energy: -41.520
bonds (distance) P-C4' energy: -38.291
flat angles C4'-P-C4' energy: -48.817
flat angles P-C4'-P energy: -30.633
tors. eta vs tors. theta energy: -55.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -664.846375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.846375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.846375 (E_RNA)
where:
Base-Base interactions energy: -444.680
where: short stacking energy: -192.130
Base-Backbone interact. energy: -0.430
local terms energy: -219.736560
where:
bonds (distance) C4'-P energy: -35.786
bonds (distance) P-C4' energy: -44.370
flat angles C4'-P-C4' energy: -44.412
flat angles P-C4'-P energy: -28.903
tors. eta vs tors. theta energy: -66.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -615.704379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.704379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.704379 (E_RNA)
where:
Base-Base interactions energy: -413.283
where: short stacking energy: -181.769
Base-Backbone interact. energy: -1.075
local terms energy: -201.346426
where:
bonds (distance) C4'-P energy: -35.358
bonds (distance) P-C4' energy: -42.320
flat angles C4'-P-C4' energy: -35.789
flat angles P-C4'-P energy: -31.012
tors. eta vs tors. theta energy: -56.868
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: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -609.756908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.756908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.756908 (E_RNA)
where:
Base-Base interactions energy: -415.462
where: short stacking energy: -186.402
Base-Backbone interact. energy: 2.701
local terms energy: -196.996040
where:
bonds (distance) C4'-P energy: -32.527
bonds (distance) P-C4' energy: -39.267
flat angles C4'-P-C4' energy: -41.051
flat angles P-C4'-P energy: -30.898
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: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -474.373324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.373324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.373324 (E_RNA)
where:
Base-Base interactions energy: -309.599
where: short stacking energy: -144.529
Base-Backbone interact. energy: -0.230
local terms energy: -164.544450
where:
bonds (distance) C4'-P energy: -31.545
bonds (distance) P-C4' energy: -37.739
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -37.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -496.849024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.849024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.849024 (E_RNA)
where:
Base-Base interactions energy: -321.654
where: short stacking energy: -155.099
Base-Backbone interact. energy: -1.531
local terms energy: -173.664561
where:
bonds (distance) C4'-P energy: -31.707
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -29.501
tors. eta vs tors. theta energy: -42.932
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: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -400.880252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.880252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.880252 (E_RNA)
where:
Base-Base interactions energy: -248.028
where: short stacking energy: -107.227
Base-Backbone interact. energy: -0.020
local terms energy: -152.832642
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -38.065
flat angles C4'-P-C4' energy: -35.707
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: -29.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -344.734221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.734221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.734221 (E_RNA)
where:
Base-Base interactions energy: -211.377
where: short stacking energy: -90.132
Base-Backbone interact. energy: 0.506
local terms energy: -133.863697
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -37.834
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -256.275602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.275602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.275602 (E_RNA)
where:
Base-Base interactions energy: -134.874
where: short stacking energy: -67.059
Base-Backbone interact. energy: 0.408
local terms energy: -121.809406
where:
bonds (distance) C4'-P energy: -37.629
bonds (distance) P-C4' energy: -34.647
flat angles C4'-P-C4' energy: -34.753
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -192.118942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.118942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.118942 (E_RNA)
where:
Base-Base interactions energy: -77.561
where: short stacking energy: -62.466
Base-Backbone interact. energy: -1.549
local terms energy: -113.008983
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -29.652
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -682.108846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.108846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.108846 (E_RNA)
where:
Base-Base interactions energy: -487.659
where: short stacking energy: -196.907
Base-Backbone interact. energy: -0.306
local terms energy: -194.143235
where:
bonds (distance) C4'-P energy: -32.671
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -42.463
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -57.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -634.418245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.418245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.418245 (E_RNA)
where:
Base-Base interactions energy: -434.830
where: short stacking energy: -178.095
Base-Backbone interact. energy: -0.696
local terms energy: -198.892146
where:
bonds (distance) C4'-P energy: -40.902
bonds (distance) P-C4' energy: -43.557
flat angles C4'-P-C4' energy: -36.607
flat angles P-C4'-P energy: -24.633
tors. eta vs tors. theta energy: -53.193
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: 391
Temperature: 1.000000
Total energy: -646.212898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.212898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.212898 (E_RNA)
where:
Base-Base interactions energy: -427.633
where: short stacking energy: -190.398
Base-Backbone interact. energy: -0.161
local terms energy: -218.418920
where:
bonds (distance) C4'-P energy: -44.205
bonds (distance) P-C4' energy: -32.314
flat angles C4'-P-C4' energy: -43.164
flat angles P-C4'-P energy: -32.444
tors. eta vs tors. theta energy: -66.292
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: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -613.155758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.155758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.155758 (E_RNA)
where:
Base-Base interactions energy: -412.538
where: short stacking energy: -180.799
Base-Backbone interact. energy: -0.260
local terms energy: -200.358685
where:
bonds (distance) C4'-P energy: -36.586
bonds (distance) P-C4' energy: -37.142
flat angles C4'-P-C4' energy: -42.127
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -59.412
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: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -527.738536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.738536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.738536 (E_RNA)
where:
Base-Base interactions energy: -361.231
where: short stacking energy: -164.381
Base-Backbone interact. energy: -0.327
local terms energy: -166.179879
where:
bonds (distance) C4'-P energy: -29.868
bonds (distance) P-C4' energy: -28.640
flat angles C4'-P-C4' energy: -37.053
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -47.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -503.703043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.703043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.703043 (E_RNA)
where:
Base-Base interactions energy: -334.162
where: short stacking energy: -147.863
Base-Backbone interact. energy: 0.280
local terms energy: -169.820797
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -38.037
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -23.845
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: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -425.582260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.582260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.582260 (E_RNA)
where:
Base-Base interactions energy: -260.204
where: short stacking energy: -121.442
Base-Backbone interact. energy: -0.361
local terms energy: -165.017535
where:
bonds (distance) C4'-P energy: -40.248
bonds (distance) P-C4' energy: -38.896
flat angles C4'-P-C4' energy: -29.476
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -31.998
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: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -330.720235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.720235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.720235 (E_RNA)
where:
Base-Base interactions energy: -192.008
where: short stacking energy: -89.189
Base-Backbone interact. energy: -1.071
local terms energy: -137.641738
where:
bonds (distance) C4'-P energy: -27.554
bonds (distance) P-C4' energy: -39.791
flat angles C4'-P-C4' energy: -37.611
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -260.186227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.186227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.186227 (E_RNA)
where:
Base-Base interactions energy: -139.161
where: short stacking energy: -85.604
Base-Backbone interact. energy: 1.830
local terms energy: -122.854927
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -37.771
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -174.909513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.909513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.909513 (E_RNA)
where:
Base-Base interactions energy: -44.218
where: short stacking energy: -42.252
Base-Backbone interact. energy: 0.800
local terms energy: -131.492186
where:
bonds (distance) C4'-P energy: -44.200
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -36.281
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: 2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -679.335082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.335082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.335082 (E_RNA)
where:
Base-Base interactions energy: -468.578
where: short stacking energy: -185.320
Base-Backbone interact. energy: 0.877
local terms energy: -211.634416
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -43.011
flat angles C4'-P-C4' energy: -43.921
flat angles P-C4'-P energy: -35.159
tors. eta vs tors. theta energy: -55.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -628.775386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.775386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.775386 (E_RNA)
where:
Base-Base interactions energy: -420.284
where: short stacking energy: -181.112
Base-Backbone interact. energy: -1.129
local terms energy: -207.362225
where:
bonds (distance) C4'-P energy: -41.345
bonds (distance) P-C4' energy: -42.480
flat angles C4'-P-C4' energy: -43.914
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -55.003
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: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -617.171659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.171659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.171659 (E_RNA)
where:
Base-Base interactions energy: -413.124
where: short stacking energy: -187.362
Base-Backbone interact. energy: -2.501
local terms energy: -201.546331
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -39.535
flat angles C4'-P-C4' energy: -39.733
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -58.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -636.630833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.630833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.630833 (E_RNA)
where:
Base-Base interactions energy: -438.363
where: short stacking energy: -192.153
Base-Backbone interact. energy: -0.121
local terms energy: -198.147068
where:
bonds (distance) C4'-P energy: -35.552
bonds (distance) P-C4' energy: -30.877
flat angles C4'-P-C4' energy: -42.213
flat angles P-C4'-P energy: -28.277
tors. eta vs tors. theta energy: -61.227
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: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -529.694696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.694696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.694696 (E_RNA)
where:
Base-Base interactions energy: -349.736
where: short stacking energy: -163.084
Base-Backbone interact. energy: -0.803
local terms energy: -179.155146
where:
bonds (distance) C4'-P energy: -34.427
bonds (distance) P-C4' energy: -35.274
flat angles C4'-P-C4' energy: -39.184
flat angles P-C4'-P energy: -22.864
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: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -507.728523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.728523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.728523 (E_RNA)
where:
Base-Base interactions energy: -337.332
where: short stacking energy: -146.057
Base-Backbone interact. energy: 0.775
local terms energy: -171.171156
where:
bonds (distance) C4'-P energy: -41.003
bonds (distance) P-C4' energy: -28.875
flat angles C4'-P-C4' energy: -40.598
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -35.263
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: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -438.391361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.391361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.391361 (E_RNA)
where:
Base-Base interactions energy: -279.714
where: short stacking energy: -130.860
Base-Backbone interact. energy: -0.321
local terms energy: -158.356581
where:
bonds (distance) C4'-P energy: -32.257
bonds (distance) P-C4' energy: -34.046
flat angles C4'-P-C4' energy: -35.295
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -35.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -344.933437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.933437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.933437 (E_RNA)
where:
Base-Base interactions energy: -197.623
where: short stacking energy: -102.386
Base-Backbone interact. energy: -0.404
local terms energy: -146.905813
where:
bonds (distance) C4'-P energy: -27.562
bonds (distance) P-C4' energy: -36.859
flat angles C4'-P-C4' energy: -37.581
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -283.269724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.269724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.269724 (E_RNA)
where:
Base-Base interactions energy: -171.072
where: short stacking energy: -80.075
Base-Backbone interact. energy: -0.571
local terms energy: -111.626374
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -30.050
flat angles C4'-P-C4' energy: -31.296
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -185.024285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.024285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.024285 (E_RNA)
where:
Base-Base interactions energy: -76.534
where: short stacking energy: -47.637
Base-Backbone interact. energy: -0.769
local terms energy: -107.720981
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -38.416
flat angles C4'-P-C4' energy: -30.007
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: 2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -678.611126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.611126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.611126 (E_RNA)
where:
Base-Base interactions energy: -482.540
where: short stacking energy: -192.673
Base-Backbone interact. energy: -1.129
local terms energy: -194.942671
where:
bonds (distance) C4'-P energy: -24.355
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -44.157
flat angles P-C4'-P energy: -32.661
tors. eta vs tors. theta energy: -53.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -641.673177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.673177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.673177 (E_RNA)
where:
Base-Base interactions energy: -434.304
where: short stacking energy: -198.642
Base-Backbone interact. energy: -0.114
local terms energy: -207.254643
where:
bonds (distance) C4'-P energy: -40.368
bonds (distance) P-C4' energy: -37.969
flat angles C4'-P-C4' energy: -40.128
flat angles P-C4'-P energy: -27.003
tors. eta vs tors. theta energy: -61.787
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: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -609.001911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.001911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.001911 (E_RNA)
where:
Base-Base interactions energy: -421.225
where: short stacking energy: -173.546
Base-Backbone interact. energy: -0.366
local terms energy: -187.411462
where:
bonds (distance) C4'-P energy: -41.571
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -34.586
flat angles P-C4'-P energy: -25.684
tors. eta vs tors. theta energy: -52.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -534.111108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.111108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.111108 (E_RNA)
where:
Base-Base interactions energy: -347.013
where: short stacking energy: -157.052
Base-Backbone interact. energy: -0.278
local terms energy: -186.820366
where:
bonds (distance) C4'-P energy: -41.507
bonds (distance) P-C4' energy: -40.146
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -26.392
tors. eta vs tors. theta energy: -41.883
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: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -594.031211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.031211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.031211 (E_RNA)
where:
Base-Base interactions energy: -402.815
where: short stacking energy: -173.195
Base-Backbone interact. energy: -0.052
local terms energy: -191.164111
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -29.875
flat angles C4'-P-C4' energy: -46.944
flat angles P-C4'-P energy: -29.975
tors. eta vs tors. theta energy: -51.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -485.264746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.264746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.264746 (E_RNA)
where:
Base-Base interactions energy: -317.678
where: short stacking energy: -137.987
Base-Backbone interact. energy: -0.640
local terms energy: -166.946103
where:
bonds (distance) C4'-P energy: -40.391
bonds (distance) P-C4' energy: -32.665
flat angles C4'-P-C4' energy: -34.233
flat angles P-C4'-P energy: -28.795
tors. eta vs tors. theta energy: -30.862
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: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -441.441139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.441139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.441139 (E_RNA)
where:
Base-Base interactions energy: -275.541
where: short stacking energy: -132.210
Base-Backbone interact. energy: -1.175
local terms energy: -164.724952
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -40.082
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -28.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -361.062567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.062567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.062567 (E_RNA)
where:
Base-Base interactions energy: -225.355
where: short stacking energy: -82.985
Base-Backbone interact. energy: -0.370
local terms energy: -135.337939
where:
bonds (distance) C4'-P energy: -33.847
bonds (distance) P-C4' energy: -38.451
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -21.800
tors. eta vs tors. theta energy: -12.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -257.144640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.144640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.144640 (E_RNA)
where:
Base-Base interactions energy: -128.100
where: short stacking energy: -61.993
Base-Backbone interact. energy: -1.523
local terms energy: -127.521744
where:
bonds (distance) C4'-P energy: -34.789
bonds (distance) P-C4' energy: -37.446
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -160.615068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.615068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.615068 (E_RNA)
where:
Base-Base interactions energy: -57.441
where: short stacking energy: -44.257
Base-Backbone interact. energy: -1.575
local terms energy: -101.599081
where:
bonds (distance) C4'-P energy: -29.052
bonds (distance) P-C4' energy: -32.020
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -675.416743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.416743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.416743 (E_RNA)
where:
Base-Base interactions energy: -473.176
where: short stacking energy: -199.564
Base-Backbone interact. energy: -1.294
local terms energy: -200.946483
where:
bonds (distance) C4'-P energy: -34.724
bonds (distance) P-C4' energy: -36.806
flat angles C4'-P-C4' energy: -46.180
flat angles P-C4'-P energy: -29.650
tors. eta vs tors. theta energy: -53.586
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: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -613.994448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.994448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.994448 (E_RNA)
where:
Base-Base interactions energy: -408.134
where: short stacking energy: -177.268
Base-Backbone interact. energy: -0.487
local terms energy: -205.374121
where:
bonds (distance) C4'-P energy: -34.824
bonds (distance) P-C4' energy: -45.442
flat angles C4'-P-C4' energy: -43.380
flat angles P-C4'-P energy: -24.619
tors. eta vs tors. theta energy: -57.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -603.917249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.917249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.917249 (E_RNA)
where:
Base-Base interactions energy: -404.244
where: short stacking energy: -173.225
Base-Backbone interact. energy: -0.237
local terms energy: -199.436130
where:
bonds (distance) C4'-P energy: -34.725
bonds (distance) P-C4' energy: -34.910
flat angles C4'-P-C4' energy: -42.098
flat angles P-C4'-P energy: -33.517
tors. eta vs tors. theta energy: -54.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -539.783225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.783225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.783225 (E_RNA)
where:
Base-Base interactions energy: -379.386
where: short stacking energy: -160.786
Base-Backbone interact. energy: -0.242
local terms energy: -160.155456
where:
bonds (distance) C4'-P energy: -29.831
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -36.438
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -43.224
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: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -589.056548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.056548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.056548 (E_RNA)
where:
Base-Base interactions energy: -396.847
where: short stacking energy: -176.871
Base-Backbone interact. energy: -0.883
local terms energy: -191.326695
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -38.198
flat angles C4'-P-C4' energy: -41.833
flat angles P-C4'-P energy: -29.614
tors. eta vs tors. theta energy: -51.615
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: 394
Temperature: 1.150000
Total energy: -453.248648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.248648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.248648 (E_RNA)
where:
Base-Base interactions energy: -303.734
where: short stacking energy: -129.413
Base-Backbone interact. energy: -1.596
local terms energy: -147.917985
where:
bonds (distance) C4'-P energy: -37.277
bonds (distance) P-C4' energy: -37.237
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -23.105
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: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -372.909141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.909141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.909141 (E_RNA)
where:
Base-Base interactions energy: -244.767
where: short stacking energy: -86.750
Base-Backbone interact. energy: -1.674
local terms energy: -126.467474
where:
bonds (distance) C4'-P energy: -29.825
bonds (distance) P-C4' energy: -33.560
flat angles C4'-P-C4' energy: -29.892
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -17.227
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: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -402.813236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.813236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.813236 (E_RNA)
where:
Base-Base interactions energy: -263.611
where: short stacking energy: -115.601
Base-Backbone interact. energy: -1.070
local terms energy: -138.132589
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -34.038
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -249.002881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.002881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.002881 (E_RNA)
where:
Base-Base interactions energy: -137.621
where: short stacking energy: -70.411
Base-Backbone interact. energy: -0.443
local terms energy: -110.938831
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -35.944
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -167.961089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.961089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.961089 (E_RNA)
where:
Base-Base interactions energy: -65.815
where: short stacking energy: -58.733
Base-Backbone interact. energy: 0.084
local terms energy: -102.230723
where:
bonds (distance) C4'-P energy: -33.186
bonds (distance) P-C4' energy: -27.755
flat angles C4'-P-C4' energy: -28.012
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: 0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -685.185551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.185551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.185551 (E_RNA)
where:
Base-Base interactions energy: -483.365
where: short stacking energy: -192.460
Base-Backbone interact. energy: -0.677
local terms energy: -201.142882
where:
bonds (distance) C4'-P energy: -33.769
bonds (distance) P-C4' energy: -41.581
flat angles C4'-P-C4' energy: -47.447
flat angles P-C4'-P energy: -23.455
tors. eta vs tors. theta energy: -54.890
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: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -639.628641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.628641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.628641 (E_RNA)
where:
Base-Base interactions energy: -438.087
where: short stacking energy: -198.312
Base-Backbone interact. energy: -0.238
local terms energy: -201.303578
where:
bonds (distance) C4'-P energy: -32.912
bonds (distance) P-C4' energy: -37.474
flat angles C4'-P-C4' energy: -41.950
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -65.084
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: 395
Temperature: 1.000000
Total energy: -599.874839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.874839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.874839 (E_RNA)
where:
Base-Base interactions energy: -401.528
where: short stacking energy: -174.987
Base-Backbone interact. energy: -0.201
local terms energy: -198.144926
where:
bonds (distance) C4'-P energy: -34.673
bonds (distance) P-C4' energy: -40.472
flat angles C4'-P-C4' energy: -44.475
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: -54.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -570.061031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.061031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.061031 (E_RNA)
where:
Base-Base interactions energy: -385.373
where: short stacking energy: -179.879
Base-Backbone interact. energy: -0.433
local terms energy: -184.255070
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -39.947
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -23.725
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: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -512.773186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.773186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.773186 (E_RNA)
where:
Base-Base interactions energy: -329.049
where: short stacking energy: -148.973
Base-Backbone interact. energy: 0.948
local terms energy: -184.672210
where:
bonds (distance) C4'-P energy: -31.729
bonds (distance) P-C4' energy: -40.478
flat angles C4'-P-C4' energy: -38.846
flat angles P-C4'-P energy: -29.498
tors. eta vs tors. theta energy: -44.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -452.472065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.472065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.472065 (E_RNA)
where:
Base-Base interactions energy: -292.428
where: short stacking energy: -128.963
Base-Backbone interact. energy: -0.036
local terms energy: -160.008313
where:
bonds (distance) C4'-P energy: -36.294
bonds (distance) P-C4' energy: -37.181
flat angles C4'-P-C4' energy: -33.122
flat angles P-C4'-P energy: -24.023
tors. eta vs tors. theta energy: -29.388
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: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -361.130855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.130855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.130855 (E_RNA)
where:
Base-Base interactions energy: -208.580
where: short stacking energy: -95.006
Base-Backbone interact. energy: -0.181
local terms energy: -152.369528
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -40.662
flat angles C4'-P-C4' energy: -35.635
flat angles P-C4'-P energy: -23.370
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -426.867383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.867383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.867383 (E_RNA)
where:
Base-Base interactions energy: -278.469
where: short stacking energy: -129.436
Base-Backbone interact. energy: 0.630
local terms energy: -149.028343
where:
bonds (distance) C4'-P energy: -35.462
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -25.836
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -275.305637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.305637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.305637 (E_RNA)
where:
Base-Base interactions energy: -143.851
where: short stacking energy: -73.331
Base-Backbone interact. energy: 2.557
local terms energy: -134.011973
where:
bonds (distance) C4'-P energy: -35.432
bonds (distance) P-C4' energy: -41.406
flat angles C4'-P-C4' energy: -31.474
flat angles P-C4'-P energy: -16.603
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: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -179.935174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.935174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.935174 (E_RNA)
where:
Base-Base interactions energy: -74.007
where: short stacking energy: -56.318
Base-Backbone interact. energy: -1.268
local terms energy: -104.659377
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -35.500
flat angles C4'-P-C4' energy: -28.524
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: 2.952
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: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -691.288761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.288761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.288761 (E_RNA)
where:
Base-Base interactions energy: -475.906
where: short stacking energy: -192.863
Base-Backbone interact. energy: 0.166
local terms energy: -215.549704
where:
bonds (distance) C4'-P energy: -40.756
bonds (distance) P-C4' energy: -45.448
flat angles C4'-P-C4' energy: -37.803
flat angles P-C4'-P energy: -34.296
tors. eta vs tors. theta energy: -57.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -635.601310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.601310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.601310 (E_RNA)
where:
Base-Base interactions energy: -419.230
where: short stacking energy: -187.746
Base-Backbone interact. energy: -0.292
local terms energy: -216.079827
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -43.551
flat angles C4'-P-C4' energy: -46.591
flat angles P-C4'-P energy: -35.441
tors. eta vs tors. theta energy: -62.010
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: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -615.852671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.852671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.852671 (E_RNA)
where:
Base-Base interactions energy: -410.460
where: short stacking energy: -176.728
Base-Backbone interact. energy: -0.633
local terms energy: -204.760000
where:
bonds (distance) C4'-P energy: -41.308
bonds (distance) P-C4' energy: -35.734
flat angles C4'-P-C4' energy: -41.702
flat angles P-C4'-P energy: -30.051
tors. eta vs tors. theta energy: -55.965
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: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -590.597634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.597634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.597634 (E_RNA)
where:
Base-Base interactions energy: -396.295
where: short stacking energy: -180.350
Base-Backbone interact. energy: -0.274
local terms energy: -194.028844
where:
bonds (distance) C4'-P energy: -34.556
bonds (distance) P-C4' energy: -36.220
flat angles C4'-P-C4' energy: -45.104
flat angles P-C4'-P energy: -26.563
tors. eta vs tors. theta energy: -51.585
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: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -480.373004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.373004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.373004 (E_RNA)
where:
Base-Base interactions energy: -308.512
where: short stacking energy: -144.903
Base-Backbone interact. energy: -0.264
local terms energy: -171.596735
where:
bonds (distance) C4'-P energy: -32.845
bonds (distance) P-C4' energy: -39.144
flat angles C4'-P-C4' energy: -35.081
flat angles P-C4'-P energy: -24.800
tors. eta vs tors. theta energy: -39.727
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: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -522.076472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.076472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.076472 (E_RNA)
where:
Base-Base interactions energy: -351.932
where: short stacking energy: -153.034
Base-Backbone interact. energy: -0.645
local terms energy: -169.499009
where:
bonds (distance) C4'-P energy: -34.387
bonds (distance) P-C4' energy: -31.647
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -43.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -428.075803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.075803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.075803 (E_RNA)
where:
Base-Base interactions energy: -272.355
where: short stacking energy: -120.449
Base-Backbone interact. energy: -1.193
local terms energy: -154.527400
where:
bonds (distance) C4'-P energy: -38.902
bonds (distance) P-C4' energy: -40.185
flat angles C4'-P-C4' energy: -37.651
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -24.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -366.803885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.803885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.803885 (E_RNA)
where:
Base-Base interactions energy: -224.954
where: short stacking energy: -112.307
Base-Backbone interact. energy: -1.268
local terms energy: -140.581679
where:
bonds (distance) C4'-P energy: -27.970
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -39.084
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -22.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -265.089766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.089766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.089766 (E_RNA)
where:
Base-Base interactions energy: -130.669
where: short stacking energy: -79.037
Base-Backbone interact. energy: -0.381
local terms energy: -134.040558
where:
bonds (distance) C4'-P energy: -31.950
bonds (distance) P-C4' energy: -41.709
flat angles C4'-P-C4' energy: -39.318
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -7.207
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: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -178.005448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.005448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.005448 (E_RNA)
where:
Base-Base interactions energy: -62.775
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.159
local terms energy: -115.071488
where:
bonds (distance) C4'-P energy: -24.220
bonds (distance) P-C4' energy: -37.164
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -11.350
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: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -680.021138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.021138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.021138 (E_RNA)
where:
Base-Base interactions energy: -472.575
where: short stacking energy: -189.224
Base-Backbone interact. energy: -0.188
local terms energy: -207.258319
where:
bonds (distance) C4'-P energy: -41.244
bonds (distance) P-C4' energy: -41.540
flat angles C4'-P-C4' energy: -42.202
flat angles P-C4'-P energy: -27.728
tors. eta vs tors. theta energy: -54.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -648.708697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.708697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.708697 (E_RNA)
where:
Base-Base interactions energy: -438.629
where: short stacking energy: -198.722
Base-Backbone interact. energy: -0.266
local terms energy: -209.814052
where:
bonds (distance) C4'-P energy: -39.274
bonds (distance) P-C4' energy: -37.593
flat angles C4'-P-C4' energy: -40.089
flat angles P-C4'-P energy: -29.193
tors. eta vs tors. theta energy: -63.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -621.029773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.029773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.029773 (E_RNA)
where:
Base-Base interactions energy: -424.961
where: short stacking energy: -171.883
Base-Backbone interact. energy: -0.822
local terms energy: -195.246378
where:
bonds (distance) C4'-P energy: -38.196
bonds (distance) P-C4' energy: -36.934
flat angles C4'-P-C4' energy: -38.276
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -54.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -530.674446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.674446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.674446 (E_RNA)
where:
Base-Base interactions energy: -344.170
where: short stacking energy: -170.685
Base-Backbone interact. energy: -0.131
local terms energy: -186.373382
where:
bonds (distance) C4'-P energy: -33.092
bonds (distance) P-C4' energy: -38.622
flat angles C4'-P-C4' energy: -39.640
flat angles P-C4'-P energy: -30.988
tors. eta vs tors. theta energy: -44.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -581.499397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.499397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.499397 (E_RNA)
where:
Base-Base interactions energy: -392.763
where: short stacking energy: -184.181
Base-Backbone interact. energy: -0.304
local terms energy: -188.432247
where:
bonds (distance) C4'-P energy: -36.330
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -36.787
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: -56.533
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: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -463.193069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.193069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.193069 (E_RNA)
where:
Base-Base interactions energy: -300.400
where: short stacking energy: -127.685
Base-Backbone interact. energy: -0.444
local terms energy: -162.349713
where:
bonds (distance) C4'-P energy: -37.893
bonds (distance) P-C4' energy: -33.198
flat angles C4'-P-C4' energy: -38.169
flat angles P-C4'-P energy: -28.571
tors. eta vs tors. theta energy: -24.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -386.021489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.021489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.021489 (E_RNA)
where:
Base-Base interactions energy: -236.560
where: short stacking energy: -113.543
Base-Backbone interact. energy: -1.411
local terms energy: -148.050316
where:
bonds (distance) C4'-P energy: -32.903
bonds (distance) P-C4' energy: -33.913
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -25.878
tors. eta vs tors. theta energy: -18.826
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: 397
Temperature: 1.250000
Total energy: -345.956817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.956817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.956817 (E_RNA)
where:
Base-Base interactions energy: -196.324
where: short stacking energy: -96.211
Base-Backbone interact. energy: -2.197
local terms energy: -147.435062
where:
bonds (distance) C4'-P energy: -40.242
bonds (distance) P-C4' energy: -39.449
flat angles C4'-P-C4' energy: -38.527
flat angles P-C4'-P energy: -20.496
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -264.797493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.797493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.797493 (E_RNA)
where:
Base-Base interactions energy: -146.963
where: short stacking energy: -81.871
Base-Backbone interact. energy: -1.183
local terms energy: -116.651612
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -32.778
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -165.080192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.080192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.080192 (E_RNA)
where:
Base-Base interactions energy: -53.500
where: short stacking energy: -40.946
Base-Backbone interact. energy: -0.779
local terms energy: -110.801551
where:
bonds (distance) C4'-P energy: -33.001
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -33.976
flat angles P-C4'-P energy: -19.710
tors. eta vs tors. theta energy: 5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -682.097087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.097087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.097087 (E_RNA)
where:
Base-Base interactions energy: -484.541
where: short stacking energy: -198.546
Base-Backbone interact. energy: -0.929
local terms energy: -196.627427
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -32.338
flat angles C4'-P-C4' energy: -44.331
flat angles P-C4'-P energy: -32.952
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: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -642.324307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.324307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.324307 (E_RNA)
where:
Base-Base interactions energy: -436.246
where: short stacking energy: -200.461
Base-Backbone interact. energy: 0.356
local terms energy: -206.434643
where:
bonds (distance) C4'-P energy: -39.753
bonds (distance) P-C4' energy: -38.088
flat angles C4'-P-C4' energy: -37.437
flat angles P-C4'-P energy: -29.566
tors. eta vs tors. theta energy: -61.591
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: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -604.115687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.115687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.115687 (E_RNA)
where:
Base-Base interactions energy: -415.346
where: short stacking energy: -175.877
Base-Backbone interact. energy: -0.405
local terms energy: -188.364698
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -38.819
flat angles P-C4'-P energy: -33.554
tors. eta vs tors. theta energy: -50.726
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: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -493.958819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.958819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.958819 (E_RNA)
where:
Base-Base interactions energy: -329.305
where: short stacking energy: -159.445
Base-Backbone interact. energy: -0.063
local terms energy: -164.590238
where:
bonds (distance) C4'-P energy: -35.905
bonds (distance) P-C4' energy: -34.459
flat angles C4'-P-C4' energy: -40.635
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: -29.956
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: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -598.034150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.034150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.034150 (E_RNA)
where:
Base-Base interactions energy: -415.545
where: short stacking energy: -175.816
Base-Backbone interact. energy: 1.804
local terms energy: -184.292754
where:
bonds (distance) C4'-P energy: -31.682
bonds (distance) P-C4' energy: -29.182
flat angles C4'-P-C4' energy: -41.255
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -52.369
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: 398
Temperature: 1.150000
Total energy: -466.549773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.549773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.549773 (E_RNA)
where:
Base-Base interactions energy: -296.357
where: short stacking energy: -140.446
Base-Backbone interact. energy: -0.991
local terms energy: -169.201587
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -38.144
flat angles C4'-P-C4' energy: -39.367
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -34.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -365.595352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.595352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.595352 (E_RNA)
where:
Base-Base interactions energy: -222.317
where: short stacking energy: -106.258
Base-Backbone interact. energy: -0.689
local terms energy: -142.588372
where:
bonds (distance) C4'-P energy: -31.495
bonds (distance) P-C4' energy: -33.972
flat angles C4'-P-C4' energy: -32.666
flat angles P-C4'-P energy: -20.959
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: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -359.922735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.922735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.922735 (E_RNA)
where:
Base-Base interactions energy: -213.572
where: short stacking energy: -92.608
Base-Backbone interact. energy: -0.761
local terms energy: -145.589863
where:
bonds (distance) C4'-P energy: -33.574
bonds (distance) P-C4' energy: -35.687
flat angles C4'-P-C4' energy: -36.649
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -282.044237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.044237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.044237 (E_RNA)
where:
Base-Base interactions energy: -146.509
where: short stacking energy: -92.335
Base-Backbone interact. energy: -0.891
local terms energy: -134.644397
where:
bonds (distance) C4'-P energy: -27.827
bonds (distance) P-C4' energy: -34.476
flat angles C4'-P-C4' energy: -33.874
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -181.337261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.337261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.337261 (E_RNA)
where:
Base-Base interactions energy: -64.564
where: short stacking energy: -55.099
Base-Backbone interact. energy: -0.643
local terms energy: -116.129728
where:
bonds (distance) C4'-P energy: -32.353
bonds (distance) P-C4' energy: -32.618
flat angles C4'-P-C4' energy: -39.075
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -691.901110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.901110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.901110 (E_RNA)
where:
Base-Base interactions energy: -490.291
where: short stacking energy: -201.101
Base-Backbone interact. energy: -1.611
local terms energy: -199.999247
where:
bonds (distance) C4'-P energy: -38.907
bonds (distance) P-C4' energy: -43.046
flat angles C4'-P-C4' energy: -38.954
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -51.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -635.671458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.671458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.671458 (E_RNA)
where:
Base-Base interactions energy: -434.440
where: short stacking energy: -181.580
Base-Backbone interact. energy: -0.583
local terms energy: -200.648371
where:
bonds (distance) C4'-P energy: -38.563
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -43.298
flat angles P-C4'-P energy: -29.038
tors. eta vs tors. theta energy: -55.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -618.537047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.537047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.537047 (E_RNA)
where:
Base-Base interactions energy: -418.467
where: short stacking energy: -190.992
Base-Backbone interact. energy: -0.632
local terms energy: -199.437478
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -36.507
flat angles C4'-P-C4' energy: -43.721
flat angles P-C4'-P energy: -25.868
tors. eta vs tors. theta energy: -61.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -607.489535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.489535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.489535 (E_RNA)
where:
Base-Base interactions energy: -408.963
where: short stacking energy: -177.753
Base-Backbone interact. energy: -0.137
local terms energy: -198.389164
where:
bonds (distance) C4'-P energy: -46.829
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -38.191
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -52.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -464.347067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.347067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.347067 (E_RNA)
where:
Base-Base interactions energy: -305.895
where: short stacking energy: -144.834
Base-Backbone interact. energy: 1.551
local terms energy: -160.003229
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -30.933
flat angles C4'-P-C4' energy: -37.485
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -34.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -481.287296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.287296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.287296 (E_RNA)
where:
Base-Base interactions energy: -303.502
where: short stacking energy: -146.613
Base-Backbone interact. energy: 4.230
local terms energy: -182.015696
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -39.103
flat angles C4'-P-C4' energy: -41.279
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: -36.455
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: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -360.334417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.334417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.334417 (E_RNA)
where:
Base-Base interactions energy: -216.119
where: short stacking energy: -107.021
Base-Backbone interact. energy: -0.838
local terms energy: -143.377096
where:
bonds (distance) C4'-P energy: -38.185
bonds (distance) P-C4' energy: -33.874
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: -20.733
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: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -387.598522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.598522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.598522 (E_RNA)
where:
Base-Base interactions energy: -244.756
where: short stacking energy: -96.248
Base-Backbone interact. energy: -1.089
local terms energy: -141.754197
where:
bonds (distance) C4'-P energy: -39.642
bonds (distance) P-C4' energy: -38.150
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -266.830833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.830833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.830833 (E_RNA)
where:
Base-Base interactions energy: -137.100
where: short stacking energy: -63.851
Base-Backbone interact. energy: 2.223
local terms energy: -131.954278
where:
bonds (distance) C4'-P energy: -40.035
bonds (distance) P-C4' energy: -35.349
flat angles C4'-P-C4' energy: -32.576
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: -3.573
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: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -179.758888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.758888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.758888 (E_RNA)
where:
Base-Base interactions energy: -62.945
where: short stacking energy: -45.726
Base-Backbone interact. energy: -0.104
local terms energy: -116.709812
where:
bonds (distance) C4'-P energy: -39.281
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -23.601
tors. eta vs tors. theta energy: 1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -654.433705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.433705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.433705 (E_RNA)
where:
Base-Base interactions energy: -439.794
where: short stacking energy: -183.443
Base-Backbone interact. energy: -0.574
local terms energy: -214.065401
where:
bonds (distance) C4'-P energy: -44.247
bonds (distance) P-C4' energy: -39.971
flat angles C4'-P-C4' energy: -45.669
flat angles P-C4'-P energy: -30.066
tors. eta vs tors. theta energy: -54.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -676.426238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.426238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.426238 (E_RNA)
where:
Base-Base interactions energy: -476.312
where: short stacking energy: -190.586
Base-Backbone interact. energy: -0.678
local terms energy: -199.437041
where:
bonds (distance) C4'-P energy: -37.870
bonds (distance) P-C4' energy: -37.372
flat angles C4'-P-C4' energy: -42.731
flat angles P-C4'-P energy: -29.334
tors. eta vs tors. theta energy: -52.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -619.646845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.646845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.646845 (E_RNA)
where:
Base-Base interactions energy: -409.729
where: short stacking energy: -194.518
Base-Backbone interact. energy: -0.703
local terms energy: -209.215335
where:
bonds (distance) C4'-P energy: -40.231
bonds (distance) P-C4' energy: -42.784
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -29.349
tors. eta vs tors. theta energy: -60.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -602.215102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.215102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.215102 (E_RNA)
where:
Base-Base interactions energy: -405.888
where: short stacking energy: -189.891
Base-Backbone interact. energy: -0.006
local terms energy: -196.321469
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -42.820
flat angles P-C4'-P energy: -28.817
tors. eta vs tors. theta energy: -56.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -497.079140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.079140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.079140 (E_RNA)
where:
Base-Base interactions energy: -329.043
where: short stacking energy: -154.403
Base-Backbone interact. energy: 1.737
local terms energy: -169.773534
where:
bonds (distance) C4'-P energy: -31.714
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -41.936
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -38.569
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: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -481.474564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.474564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.474564 (E_RNA)
where:
Base-Base interactions energy: -312.188
where: short stacking energy: -149.963
Base-Backbone interact. energy: -1.761
local terms energy: -167.525657
where:
bonds (distance) C4'-P energy: -31.508
bonds (distance) P-C4' energy: -37.918
flat angles C4'-P-C4' energy: -32.022
flat angles P-C4'-P energy: -28.939
tors. eta vs tors. theta energy: -37.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -394.237784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.237784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.237784 (E_RNA)
where:
Base-Base interactions energy: -250.935
where: short stacking energy: -110.187
Base-Backbone interact. energy: 0.004
local terms energy: -143.306669
where:
bonds (distance) C4'-P energy: -34.431
bonds (distance) P-C4' energy: -32.416
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -28.360
tors. eta vs tors. theta energy: -18.892
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: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -331.995249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.995249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.995249 (E_RNA)
where:
Base-Base interactions energy: -191.288
where: short stacking energy: -89.755
Base-Backbone interact. energy: -2.685
local terms energy: -138.022711
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -40.354
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -279.978180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.978180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.978180 (E_RNA)
where:
Base-Base interactions energy: -150.902
where: short stacking energy: -68.231
Base-Backbone interact. energy: 2.078
local terms energy: -131.153486
where:
bonds (distance) C4'-P energy: -28.863
bonds (distance) P-C4' energy: -31.739
flat angles C4'-P-C4' energy: -32.876
flat angles P-C4'-P energy: -25.783
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -184.478988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.478988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.478988 (E_RNA)
where:
Base-Base interactions energy: -76.554
where: short stacking energy: -61.546
Base-Backbone interact. energy: 3.424
local terms energy: -111.348561
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -29.153
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -27.543
tors. eta vs tors. theta energy: 3.261
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: 401
Temperature: 0.900000
Total energy: -643.025221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.025221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.025221 (E_RNA)
where:
Base-Base interactions energy: -436.593
where: short stacking energy: -188.990
Base-Backbone interact. energy: -0.061
local terms energy: -206.371399
where:
bonds (distance) C4'-P energy: -35.689
bonds (distance) P-C4' energy: -40.497
flat angles C4'-P-C4' energy: -39.823
flat angles P-C4'-P energy: -32.626
tors. eta vs tors. theta energy: -57.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -681.853689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.853689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.853689 (E_RNA)
where:
Base-Base interactions energy: -479.723
where: short stacking energy: -199.445
Base-Backbone interact. energy: 0.272
local terms energy: -202.402920
where:
bonds (distance) C4'-P energy: -31.871
bonds (distance) P-C4' energy: -44.136
flat angles C4'-P-C4' energy: -40.950
flat angles P-C4'-P energy: -29.371
tors. eta vs tors. theta energy: -56.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -624.027946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.027946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.027946 (E_RNA)
where:
Base-Base interactions energy: -418.461
where: short stacking energy: -191.630
Base-Backbone interact. energy: -0.134
local terms energy: -205.432738
where:
bonds (distance) C4'-P energy: -37.238
bonds (distance) P-C4' energy: -39.414
flat angles C4'-P-C4' energy: -41.389
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: -60.777
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: 401
Temperature: 1.050000
Total energy: -613.604483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.604483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.604483 (E_RNA)
where:
Base-Base interactions energy: -419.591
where: short stacking energy: -180.540
Base-Backbone interact. energy: 0.430
local terms energy: -194.444188
where:
bonds (distance) C4'-P energy: -44.296
bonds (distance) P-C4' energy: -38.339
flat angles C4'-P-C4' energy: -35.368
flat angles P-C4'-P energy: -25.241
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: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -485.877789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.877789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.877789 (E_RNA)
where:
Base-Base interactions energy: -319.992
where: short stacking energy: -157.559
Base-Backbone interact. energy: -0.259
local terms energy: -165.626562
where:
bonds (distance) C4'-P energy: -30.432
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -36.946
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -42.382
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: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -432.602286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.602286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.602286 (E_RNA)
where:
Base-Base interactions energy: -278.154
where: short stacking energy: -132.514
Base-Backbone interact. energy: 2.040
local terms energy: -156.488079
where:
bonds (distance) C4'-P energy: -39.484
bonds (distance) P-C4' energy: -36.014
flat angles C4'-P-C4' energy: -33.363
flat angles P-C4'-P energy: -24.928
tors. eta vs tors. theta energy: -22.698
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: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -471.500035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.500035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.500035 (E_RNA)
where:
Base-Base interactions energy: -297.672
where: short stacking energy: -141.828
Base-Backbone interact. energy: -0.878
local terms energy: -172.949768
where:
bonds (distance) C4'-P energy: -32.373
bonds (distance) P-C4' energy: -39.720
flat angles C4'-P-C4' energy: -41.789
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -38.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -339.111272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.111272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.111272 (E_RNA)
where:
Base-Base interactions energy: -212.138
where: short stacking energy: -83.414
Base-Backbone interact. energy: -0.982
local terms energy: -125.991366
where:
bonds (distance) C4'-P energy: -32.367
bonds (distance) P-C4' energy: -32.881
flat angles C4'-P-C4' energy: -32.314
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -262.115826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.115826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.115826 (E_RNA)
where:
Base-Base interactions energy: -137.359
where: short stacking energy: -75.994
Base-Backbone interact. energy: -1.236
local terms energy: -123.521262
where:
bonds (distance) C4'-P energy: -37.093
bonds (distance) P-C4' energy: -28.305
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -8.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -175.029705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.029705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.029705 (E_RNA)
where:
Base-Base interactions energy: -49.494
where: short stacking energy: -44.811
Base-Backbone interact. energy: -0.704
local terms energy: -124.832254
where:
bonds (distance) C4'-P energy: -35.776
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -27.843
flat angles P-C4'-P energy: -14.168
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: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -679.809368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.809368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.809368 (E_RNA)
where:
Base-Base interactions energy: -478.919
where: short stacking energy: -192.914
Base-Backbone interact. energy: 0.098
local terms energy: -200.988851
where:
bonds (distance) C4'-P energy: -35.982
bonds (distance) P-C4' energy: -38.235
flat angles C4'-P-C4' energy: -43.550
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -57.086
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: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -619.800747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.800747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.800747 (E_RNA)
where:
Base-Base interactions energy: -415.496
where: short stacking energy: -167.384
Base-Backbone interact. energy: -0.948
local terms energy: -203.356979
where:
bonds (distance) C4'-P energy: -39.684
bonds (distance) P-C4' energy: -37.415
flat angles C4'-P-C4' energy: -43.116
flat angles P-C4'-P energy: -27.949
tors. eta vs tors. theta energy: -55.194
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: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -617.948236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.948236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.948236 (E_RNA)
where:
Base-Base interactions energy: -419.771
where: short stacking energy: -195.649
Base-Backbone interact. energy: 1.177
local terms energy: -199.354163
where:
bonds (distance) C4'-P energy: -33.535
bonds (distance) P-C4' energy: -38.791
flat angles C4'-P-C4' energy: -40.397
flat angles P-C4'-P energy: -28.357
tors. eta vs tors. theta energy: -58.274
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: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -582.365407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.365407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.365407 (E_RNA)
where:
Base-Base interactions energy: -394.944
where: short stacking energy: -162.656
Base-Backbone interact. energy: 0.008
local terms energy: -187.429003
where:
bonds (distance) C4'-P energy: -36.600
bonds (distance) P-C4' energy: -37.511
flat angles C4'-P-C4' energy: -37.597
flat angles P-C4'-P energy: -26.320
tors. eta vs tors. theta energy: -49.401
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: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -485.655678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.655678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.655678 (E_RNA)
where:
Base-Base interactions energy: -309.509
where: short stacking energy: -150.575
Base-Backbone interact. energy: -0.164
local terms energy: -175.982718
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -38.300
flat angles C4'-P-C4' energy: -38.097
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: -41.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -488.033483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.033483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.033483 (E_RNA)
where:
Base-Base interactions energy: -327.699
where: short stacking energy: -150.386
Base-Backbone interact. energy: -0.715
local terms energy: -159.619734
where:
bonds (distance) C4'-P energy: -30.605
bonds (distance) P-C4' energy: -37.223
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -40.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -493.027906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.027906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.027906 (E_RNA)
where:
Base-Base interactions energy: -329.918
where: short stacking energy: -148.863
Base-Backbone interact. energy: 0.019
local terms energy: -163.128924
where:
bonds (distance) C4'-P energy: -26.552
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -39.994
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -38.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -369.481561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.481561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.481561 (E_RNA)
where:
Base-Base interactions energy: -230.385
where: short stacking energy: -110.069
Base-Backbone interact. energy: -0.927
local terms energy: -138.169688
where:
bonds (distance) C4'-P energy: -31.265
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -24.573
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -262.222121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.222121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.222121 (E_RNA)
where:
Base-Base interactions energy: -142.513
where: short stacking energy: -68.719
Base-Backbone interact. energy: -0.641
local terms energy: -119.068103
where:
bonds (distance) C4'-P energy: -31.045
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -34.159
flat angles P-C4'-P energy: -22.416
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: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -176.014914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.014914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.014914 (E_RNA)
where:
Base-Base interactions energy: -57.370
where: short stacking energy: -55.401
Base-Backbone interact. energy: -1.501
local terms energy: -117.144563
where:
bonds (distance) C4'-P energy: -36.235
bonds (distance) P-C4' energy: -31.319
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -25.648
tors. eta vs tors. theta energy: 5.735
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: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -679.318511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.318511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.318511 (E_RNA)
where:
Base-Base interactions energy: -483.973
where: short stacking energy: -193.194
Base-Backbone interact. energy: 0.721
local terms energy: -196.066508
where:
bonds (distance) C4'-P energy: -39.245
bonds (distance) P-C4' energy: -34.704
flat angles C4'-P-C4' energy: -40.223
flat angles P-C4'-P energy: -29.128
tors. eta vs tors. theta energy: -52.767
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: 403
Temperature: 0.950000
Total energy: -630.241127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.241127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.241127 (E_RNA)
where:
Base-Base interactions energy: -428.354
where: short stacking energy: -191.953
Base-Backbone interact. energy: -0.385
local terms energy: -201.501807
where:
bonds (distance) C4'-P energy: -34.891
bonds (distance) P-C4' energy: -36.990
flat angles C4'-P-C4' energy: -42.814
flat angles P-C4'-P energy: -28.069
tors. eta vs tors. theta energy: -58.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -636.633692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.633692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.633692 (E_RNA)
where:
Base-Base interactions energy: -428.448
where: short stacking energy: -206.270
Base-Backbone interact. energy: -0.703
local terms energy: -207.483091
where:
bonds (distance) C4'-P energy: -35.607
bonds (distance) P-C4' energy: -34.655
flat angles C4'-P-C4' energy: -41.598
flat angles P-C4'-P energy: -32.641
tors. eta vs tors. theta energy: -62.982
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: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -560.090520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.090520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.090520 (E_RNA)
where:
Base-Base interactions energy: -381.318
where: short stacking energy: -164.030
Base-Backbone interact. energy: -1.166
local terms energy: -177.606762
where:
bonds (distance) C4'-P energy: -35.690
bonds (distance) P-C4' energy: -29.024
flat angles C4'-P-C4' energy: -37.192
flat angles P-C4'-P energy: -28.924
tors. eta vs tors. theta energy: -46.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -501.069387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.069387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.069387 (E_RNA)
where:
Base-Base interactions energy: -327.741
where: short stacking energy: -154.270
Base-Backbone interact. energy: 1.501
local terms energy: -174.828788
where:
bonds (distance) C4'-P energy: -33.643
bonds (distance) P-C4' energy: -28.357
flat angles C4'-P-C4' energy: -45.424
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -38.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -511.689244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.689244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.689244 (E_RNA)
where:
Base-Base interactions energy: -350.536
where: short stacking energy: -159.758
Base-Backbone interact. energy: -0.251
local terms energy: -160.902052
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -38.270
flat angles P-C4'-P energy: -26.662
tors. eta vs tors. theta energy: -40.308
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: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -457.962768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.962768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.962768 (E_RNA)
where:
Base-Base interactions energy: -305.164
where: short stacking energy: -146.909
Base-Backbone interact. energy: -0.316
local terms energy: -152.481890
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -33.549
flat angles C4'-P-C4' energy: -36.242
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -38.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -362.208892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.208892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.208892 (E_RNA)
where:
Base-Base interactions energy: -218.588
where: short stacking energy: -114.540
Base-Backbone interact. energy: -0.897
local terms energy: -142.724348
where:
bonds (distance) C4'-P energy: -34.269
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -27.615
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -24.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -259.406915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.406915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.406915 (E_RNA)
where:
Base-Base interactions energy: -142.770
where: short stacking energy: -70.223
Base-Backbone interact. energy: -0.620
local terms energy: -116.017032
where:
bonds (distance) C4'-P energy: -33.657
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -32.718
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -5.559
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: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -164.357555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.357555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.357555 (E_RNA)
where:
Base-Base interactions energy: -50.889
where: short stacking energy: -48.783
Base-Backbone interact. energy: -1.740
local terms energy: -111.728561
where:
bonds (distance) C4'-P energy: -33.819
bonds (distance) P-C4' energy: -38.755
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -15.715
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)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -656.533830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.533830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.533830 (E_RNA)
where:
Base-Base interactions energy: -455.369
where: short stacking energy: -188.289
Base-Backbone interact. energy: -0.425
local terms energy: -200.739188
where:
bonds (distance) C4'-P energy: -40.253
bonds (distance) P-C4' energy: -35.342
flat angles C4'-P-C4' energy: -43.241
flat angles P-C4'-P energy: -28.370
tors. eta vs tors. theta energy: -53.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -620.004099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.004099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.004099 (E_RNA)
where:
Base-Base interactions energy: -409.699
where: short stacking energy: -187.859
Base-Backbone interact. energy: 1.489
local terms energy: -211.794059
where:
bonds (distance) C4'-P energy: -41.319
bonds (distance) P-C4' energy: -43.039
flat angles C4'-P-C4' energy: -38.974
flat angles P-C4'-P energy: -35.369
tors. eta vs tors. theta energy: -53.094
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: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -587.949761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.949761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.949761 (E_RNA)
where:
Base-Base interactions energy: -403.952
where: short stacking energy: -168.164
Base-Backbone interact. energy: -1.064
local terms energy: -182.934344
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -35.513
flat angles C4'-P-C4' energy: -38.461
flat angles P-C4'-P energy: -26.410
tors. eta vs tors. theta energy: -51.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -608.594779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.594779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.594779 (E_RNA)
where:
Base-Base interactions energy: -405.478
where: short stacking energy: -188.997
Base-Backbone interact. energy: -0.385
local terms energy: -202.731506
where:
bonds (distance) C4'-P energy: -37.230
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -44.656
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -57.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -502.180397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.180397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.180397 (E_RNA)
where:
Base-Base interactions energy: -316.237
where: short stacking energy: -145.358
Base-Backbone interact. energy: -0.296
local terms energy: -185.646772
where:
bonds (distance) C4'-P energy: -38.090
bonds (distance) P-C4' energy: -34.782
flat angles C4'-P-C4' energy: -37.218
flat angles P-C4'-P energy: -30.498
tors. eta vs tors. theta energy: -45.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -481.586209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.586209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.586209 (E_RNA)
where:
Base-Base interactions energy: -313.800
where: short stacking energy: -149.618
Base-Backbone interact. energy: -1.075
local terms energy: -166.711646
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -38.228
flat angles C4'-P-C4' energy: -37.500
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -36.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -430.897555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.897555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.897555 (E_RNA)
where:
Base-Base interactions energy: -271.340
where: short stacking energy: -124.641
Base-Backbone interact. energy: 1.066
local terms energy: -160.623099
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -41.799
flat angles C4'-P-C4' energy: -36.831
flat angles P-C4'-P energy: -29.471
tors. eta vs tors. theta energy: -25.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -350.958010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.958010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.958010 (E_RNA)
where:
Base-Base interactions energy: -219.825
where: short stacking energy: -94.084
Base-Backbone interact. energy: -0.681
local terms energy: -130.451835
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -36.944
flat angles C4'-P-C4' energy: -29.326
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -10.269
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: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -269.548239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.548239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.548239 (E_RNA)
where:
Base-Base interactions energy: -133.819
where: short stacking energy: -79.551
Base-Backbone interact. energy: -1.263
local terms energy: -134.466203
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -41.049
flat angles C4'-P-C4' energy: -35.194
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -6.618
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: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -180.348180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.348180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.348180 (E_RNA)
where:
Base-Base interactions energy: -59.631
where: short stacking energy: -52.913
Base-Backbone interact. energy: -0.382
local terms energy: -120.335174
where:
bonds (distance) C4'-P energy: -33.973
bonds (distance) P-C4' energy: -41.377
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -19.063
tors. eta vs tors. theta energy: 3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -682.732175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.732175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.732175 (E_RNA)
where:
Base-Base interactions energy: -473.754
where: short stacking energy: -194.441
Base-Backbone interact. energy: -2.289
local terms energy: -206.689686
where:
bonds (distance) C4'-P energy: -35.838
bonds (distance) P-C4' energy: -43.440
flat angles C4'-P-C4' energy: -43.866
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: -54.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -617.309246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.309246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.309246 (E_RNA)
where:
Base-Base interactions energy: -422.892
where: short stacking energy: -184.046
Base-Backbone interact. energy: -0.389
local terms energy: -194.028655
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -36.895
flat angles C4'-P-C4' energy: -43.309
flat angles P-C4'-P energy: -29.473
tors. eta vs tors. theta energy: -54.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -623.521647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.521647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.521647 (E_RNA)
where:
Base-Base interactions energy: -417.379
where: short stacking energy: -172.798
Base-Backbone interact. energy: -0.282
local terms energy: -205.859756
where:
bonds (distance) C4'-P energy: -41.081
bonds (distance) P-C4' energy: -39.029
flat angles C4'-P-C4' energy: -41.805
flat angles P-C4'-P energy: -33.769
tors. eta vs tors. theta energy: -50.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -602.759645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.759645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.759645 (E_RNA)
where:
Base-Base interactions energy: -400.697
where: short stacking energy: -177.539
Base-Backbone interact. energy: 0.056
local terms energy: -202.118824
where:
bonds (distance) C4'-P energy: -34.330
bonds (distance) P-C4' energy: -35.836
flat angles C4'-P-C4' energy: -42.802
flat angles P-C4'-P energy: -31.318
tors. eta vs tors. theta energy: -57.832
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: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -491.721350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.721350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.721350 (E_RNA)
where:
Base-Base interactions energy: -325.894
where: short stacking energy: -150.025
Base-Backbone interact. energy: 0.074
local terms energy: -165.901421
where:
bonds (distance) C4'-P energy: -33.718
bonds (distance) P-C4' energy: -38.256
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -40.776
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: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -495.263486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.263486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.263486 (E_RNA)
where:
Base-Base interactions energy: -338.066
where: short stacking energy: -142.484
Base-Backbone interact. energy: 0.758
local terms energy: -157.955550
where:
bonds (distance) C4'-P energy: -31.362
bonds (distance) P-C4' energy: -29.158
flat angles C4'-P-C4' energy: -41.056
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: -34.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -417.446989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.446989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.446989 (E_RNA)
where:
Base-Base interactions energy: -269.759
where: short stacking energy: -114.734
Base-Backbone interact. energy: -1.539
local terms energy: -146.148239
where:
bonds (distance) C4'-P energy: -37.592
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -35.618
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -24.063
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: 8, replica: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -335.107174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.107174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.107174 (E_RNA)
where:
Base-Base interactions energy: -203.552
where: short stacking energy: -104.943
Base-Backbone interact. energy: 1.014
local terms energy: -132.569507
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -31.812
flat angles C4'-P-C4' energy: -33.230
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: -20.037
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: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -245.972975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.972975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.972975 (E_RNA)
where:
Base-Base interactions energy: -119.126
where: short stacking energy: -65.406
Base-Backbone interact. energy: 0.034
local terms energy: -126.880942
where:
bonds (distance) C4'-P energy: -33.636
bonds (distance) P-C4' energy: -35.671
flat angles C4'-P-C4' energy: -33.978
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: -0.610
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: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -182.245466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.245466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.245466 (E_RNA)
where:
Base-Base interactions energy: -67.580
where: short stacking energy: -27.812
Base-Backbone interact. energy: -1.818
local terms energy: -112.847459
where:
bonds (distance) C4'-P energy: -36.150
bonds (distance) P-C4' energy: -36.153
flat angles C4'-P-C4' energy: -30.729
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: 8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -680.606700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.606700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.606700 (E_RNA)
where:
Base-Base interactions energy: -475.907
where: short stacking energy: -192.260
Base-Backbone interact. energy: 0.044
local terms energy: -204.743469
where:
bonds (distance) C4'-P energy: -41.775
bonds (distance) P-C4' energy: -40.355
flat angles C4'-P-C4' energy: -42.721
flat angles P-C4'-P energy: -30.013
tors. eta vs tors. theta energy: -49.880
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: 406
Temperature: 0.950000
Total energy: -651.663747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.663747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.663747 (E_RNA)
where:
Base-Base interactions energy: -448.317
where: short stacking energy: -208.580
Base-Backbone interact. energy: -0.801
local terms energy: -202.545818
where:
bonds (distance) C4'-P energy: -35.353
bonds (distance) P-C4' energy: -34.609
flat angles C4'-P-C4' energy: -40.160
flat angles P-C4'-P energy: -26.679
tors. eta vs tors. theta energy: -65.745
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: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -611.538635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.538635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.538635 (E_RNA)
where:
Base-Base interactions energy: -412.480
where: short stacking energy: -182.264
Base-Backbone interact. energy: -0.930
local terms energy: -198.128751
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -37.420
flat angles C4'-P-C4' energy: -42.670
flat angles P-C4'-P energy: -31.188
tors. eta vs tors. theta energy: -55.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -618.511538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.511538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.511538 (E_RNA)
where:
Base-Base interactions energy: -421.321
where: short stacking energy: -195.006
Base-Backbone interact. energy: -0.165
local terms energy: -197.025492
where:
bonds (distance) C4'-P energy: -35.489
bonds (distance) P-C4' energy: -35.952
flat angles C4'-P-C4' energy: -40.835
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -59.163
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: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -469.836018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.836018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.836018 (E_RNA)
where:
Base-Base interactions energy: -316.908
where: short stacking energy: -136.607
Base-Backbone interact. energy: -1.754
local terms energy: -151.173331
where:
bonds (distance) C4'-P energy: -26.762
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -43.429
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -32.614
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: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -476.662783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.662783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.662783 (E_RNA)
where:
Base-Base interactions energy: -313.410
where: short stacking energy: -146.649
Base-Backbone interact. energy: -0.364
local terms energy: -162.888568
where:
bonds (distance) C4'-P energy: -32.596
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -37.120
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: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -461.524352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.524352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.524352 (E_RNA)
where:
Base-Base interactions energy: -295.380
where: short stacking energy: -118.725
Base-Backbone interact. energy: -0.837
local terms energy: -165.307226
where:
bonds (distance) C4'-P energy: -34.055
bonds (distance) P-C4' energy: -38.244
flat angles C4'-P-C4' energy: -40.870
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -31.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -344.364724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.364724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.364724 (E_RNA)
where:
Base-Base interactions energy: -213.395
where: short stacking energy: -101.325
Base-Backbone interact. energy: 0.005
local terms energy: -130.975244
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -42.338
flat angles C4'-P-C4' energy: -34.413
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -190.197874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.197874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.197874 (E_RNA)
where:
Base-Base interactions energy: -69.471
where: short stacking energy: -65.973
Base-Backbone interact. energy: -1.519
local terms energy: -119.208417
where:
bonds (distance) C4'-P energy: -34.241
bonds (distance) P-C4' energy: -36.265
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -4.784
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: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -239.412654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.412654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.412654 (E_RNA)
where:
Base-Base interactions energy: -119.509
where: short stacking energy: -55.431
Base-Backbone interact. energy: 4.647
local terms energy: -124.550897
where:
bonds (distance) C4'-P energy: -40.665
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -42.079
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: 2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -681.635905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.635905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.635905 (E_RNA)
where:
Base-Base interactions energy: -478.968
where: short stacking energy: -197.640
Base-Backbone interact. energy: -0.467
local terms energy: -202.200814
where:
bonds (distance) C4'-P energy: -38.239
bonds (distance) P-C4' energy: -45.435
flat angles C4'-P-C4' energy: -36.693
flat angles P-C4'-P energy: -27.570
tors. eta vs tors. theta energy: -54.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -651.314275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.314275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.314275 (E_RNA)
where:
Base-Base interactions energy: -429.453
where: short stacking energy: -189.943
Base-Backbone interact. energy: -0.776
local terms energy: -221.084735
where:
bonds (distance) C4'-P energy: -44.132
bonds (distance) P-C4' energy: -41.799
flat angles C4'-P-C4' energy: -45.266
flat angles P-C4'-P energy: -29.161
tors. eta vs tors. theta energy: -60.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -622.613929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.613929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.613929 (E_RNA)
where:
Base-Base interactions energy: -424.520
where: short stacking energy: -182.905
Base-Backbone interact. energy: 2.219
local terms energy: -200.312675
where:
bonds (distance) C4'-P energy: -36.105
bonds (distance) P-C4' energy: -40.284
flat angles C4'-P-C4' energy: -43.682
flat angles P-C4'-P energy: -24.675
tors. eta vs tors. theta energy: -55.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -609.910467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.910467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.910467 (E_RNA)
where:
Base-Base interactions energy: -410.592
where: short stacking energy: -195.211
Base-Backbone interact. energy: -0.473
local terms energy: -198.846103
where:
bonds (distance) C4'-P energy: -33.865
bonds (distance) P-C4' energy: -39.136
flat angles C4'-P-C4' energy: -42.432
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -58.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -476.760131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.760131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.760131 (E_RNA)
where:
Base-Base interactions energy: -316.789
where: short stacking energy: -135.061
Base-Backbone interact. energy: -1.047
local terms energy: -158.923801
where:
bonds (distance) C4'-P energy: -36.314
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -37.235
flat angles P-C4'-P energy: -27.043
tors. eta vs tors. theta energy: -32.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -472.655441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.655441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.655441 (E_RNA)
where:
Base-Base interactions energy: -301.291
where: short stacking energy: -134.073
Base-Backbone interact. energy: -0.233
local terms energy: -171.131671
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -36.034
flat angles C4'-P-C4' energy: -34.601
flat angles P-C4'-P energy: -27.571
tors. eta vs tors. theta energy: -39.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -414.848906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.848906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.848906 (E_RNA)
where:
Base-Base interactions energy: -272.149
where: short stacking energy: -129.235
Base-Backbone interact. energy: -0.261
local terms energy: -142.439288
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -32.857
flat angles P-C4'-P energy: -25.359
tors. eta vs tors. theta energy: -28.366
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: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -382.866605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.866605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.866605 (E_RNA)
where:
Base-Base interactions energy: -240.075
where: short stacking energy: -97.928
Base-Backbone interact. energy: 1.171
local terms energy: -143.962655
where:
bonds (distance) C4'-P energy: -32.966
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -35.092
flat angles P-C4'-P energy: -26.034
tors. eta vs tors. theta energy: -19.517
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: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -181.768747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.768747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.768747 (E_RNA)
where:
Base-Base interactions energy: -70.245
where: short stacking energy: -55.371
Base-Backbone interact. energy: 2.334
local terms energy: -113.858150
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -32.460
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -255.989437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.989437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.989437 (E_RNA)
where:
Base-Base interactions energy: -140.168
where: short stacking energy: -57.274
Base-Backbone interact. energy: -1.001
local terms energy: -114.820374
where:
bonds (distance) C4'-P energy: -42.171
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: -6.405
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: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -695.861550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.861550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.861550 (E_RNA)
where:
Base-Base interactions energy: -494.027
where: short stacking energy: -196.574
Base-Backbone interact. energy: -0.555
local terms energy: -201.280004
where:
bonds (distance) C4'-P energy: -32.043
bonds (distance) P-C4' energy: -37.572
flat angles C4'-P-C4' energy: -45.880
flat angles P-C4'-P energy: -29.440
tors. eta vs tors. theta energy: -56.346
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: 408
Temperature: 0.950000
Total energy: -631.532335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.532335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.532335 (E_RNA)
where:
Base-Base interactions energy: -426.022
where: short stacking energy: -188.506
Base-Backbone interact. energy: 0.122
local terms energy: -205.632875
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -37.400
flat angles C4'-P-C4' energy: -45.458
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: -62.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -618.965728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.965728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.965728 (E_RNA)
where:
Base-Base interactions energy: -417.673
where: short stacking energy: -192.028
Base-Backbone interact. energy: -0.029
local terms energy: -201.263982
where:
bonds (distance) C4'-P energy: -38.015
bonds (distance) P-C4' energy: -36.343
flat angles C4'-P-C4' energy: -40.837
flat angles P-C4'-P energy: -29.536
tors. eta vs tors. theta energy: -56.533
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: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -590.364035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.364035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.364035 (E_RNA)
where:
Base-Base interactions energy: -398.406
where: short stacking energy: -186.181
Base-Backbone interact. energy: -0.113
local terms energy: -191.845631
where:
bonds (distance) C4'-P energy: -40.681
bonds (distance) P-C4' energy: -30.003
flat angles C4'-P-C4' energy: -40.662
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -56.886
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: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -471.356078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.356078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.356078 (E_RNA)
where:
Base-Base interactions energy: -299.278
where: short stacking energy: -136.495
Base-Backbone interact. energy: -0.341
local terms energy: -171.737119
where:
bonds (distance) C4'-P energy: -39.849
bonds (distance) P-C4' energy: -34.401
flat angles C4'-P-C4' energy: -34.789
flat angles P-C4'-P energy: -25.788
tors. eta vs tors. theta energy: -36.910
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: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -485.355921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.355921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.355921 (E_RNA)
where:
Base-Base interactions energy: -321.267
where: short stacking energy: -151.222
Base-Backbone interact. energy: -2.311
local terms energy: -161.777590
where:
bonds (distance) C4'-P energy: -40.437
bonds (distance) P-C4' energy: -37.060
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -36.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -370.425587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.425587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.425587 (E_RNA)
where:
Base-Base interactions energy: -228.496
where: short stacking energy: -111.321
Base-Backbone interact. energy: 0.076
local terms energy: -142.006324
where:
bonds (distance) C4'-P energy: -35.305
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -29.889
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -19.945
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: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -412.254501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.254501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.254501 (E_RNA)
where:
Base-Base interactions energy: -261.087
where: short stacking energy: -108.442
Base-Backbone interact. energy: -1.063
local terms energy: -150.103968
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -35.990
flat angles C4'-P-C4' energy: -36.384
flat angles P-C4'-P energy: -25.654
tors. eta vs tors. theta energy: -24.877
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: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -282.231939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.231939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.231939 (E_RNA)
where:
Base-Base interactions energy: -150.541
where: short stacking energy: -81.533
Base-Backbone interact. energy: -0.332
local terms energy: -131.359271
where:
bonds (distance) C4'-P energy: -25.949
bonds (distance) P-C4' energy: -46.456
flat angles C4'-P-C4' energy: -27.478
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -12.077
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: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -197.856012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.856012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.856012 (E_RNA)
where:
Base-Base interactions energy: -75.168
where: short stacking energy: -70.436
Base-Backbone interact. energy: 0.475
local terms energy: -123.162135
where:
bonds (distance) C4'-P energy: -37.558
bonds (distance) P-C4' energy: -33.649
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -27.038
tors. eta vs tors. theta energy: -6.602
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: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -686.434125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.434125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.434125 (E_RNA)
where:
Base-Base interactions energy: -486.697
where: short stacking energy: -193.434
Base-Backbone interact. energy: -0.806
local terms energy: -198.930476
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -32.172
flat angles C4'-P-C4' energy: -40.868
flat angles P-C4'-P energy: -31.528
tors. eta vs tors. theta energy: -53.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -620.663087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.663087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.663087 (E_RNA)
where:
Base-Base interactions energy: -417.542
where: short stacking energy: -173.119
Base-Backbone interact. energy: -2.183
local terms energy: -200.937573
where:
bonds (distance) C4'-P energy: -40.559
bonds (distance) P-C4' energy: -41.382
flat angles C4'-P-C4' energy: -36.887
flat angles P-C4'-P energy: -26.110
tors. eta vs tors. theta energy: -55.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -628.214763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.214763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.214763 (E_RNA)
where:
Base-Base interactions energy: -417.694
where: short stacking energy: -186.023
Base-Backbone interact. energy: -0.511
local terms energy: -210.009535
where:
bonds (distance) C4'-P energy: -43.183
bonds (distance) P-C4' energy: -40.962
flat angles C4'-P-C4' energy: -35.897
flat angles P-C4'-P energy: -32.734
tors. eta vs tors. theta energy: -57.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -582.991105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.991105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.991105 (E_RNA)
where:
Base-Base interactions energy: -378.681
where: short stacking energy: -172.777
Base-Backbone interact. energy: -0.888
local terms energy: -203.421569
where:
bonds (distance) C4'-P energy: -38.826
bonds (distance) P-C4' energy: -39.389
flat angles C4'-P-C4' energy: -41.406
flat angles P-C4'-P energy: -27.650
tors. eta vs tors. theta energy: -56.150
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: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -511.353347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.353347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.353347 (E_RNA)
where:
Base-Base interactions energy: -341.654
where: short stacking energy: -139.565
Base-Backbone interact. energy: -0.490
local terms energy: -169.209689
where:
bonds (distance) C4'-P energy: -33.893
bonds (distance) P-C4' energy: -32.846
flat angles C4'-P-C4' energy: -35.374
flat angles P-C4'-P energy: -34.923
tors. eta vs tors. theta energy: -32.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -483.318047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.318047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.318047 (E_RNA)
where:
Base-Base interactions energy: -314.852
where: short stacking energy: -147.873
Base-Backbone interact. energy: 5.090
local terms energy: -173.555255
where:
bonds (distance) C4'-P energy: -38.859
bonds (distance) P-C4' energy: -35.815
flat angles C4'-P-C4' energy: -41.104
flat angles P-C4'-P energy: -21.452
tors. eta vs tors. theta energy: -36.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -419.843839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.843839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.843839 (E_RNA)
where:
Base-Base interactions energy: -269.336
where: short stacking energy: -129.007
Base-Backbone interact. energy: 0.231
local terms energy: -150.738667
where:
bonds (distance) C4'-P energy: -32.492
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -27.897
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -30.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -384.855835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.855835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.855835 (E_RNA)
where:
Base-Base interactions energy: -219.254
where: short stacking energy: -97.574
Base-Backbone interact. energy: -0.330
local terms energy: -165.271908
where:
bonds (distance) C4'-P energy: -40.870
bonds (distance) P-C4' energy: -39.202
flat angles C4'-P-C4' energy: -37.946
flat angles P-C4'-P energy: -30.299
tors. eta vs tors. theta energy: -16.955
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: 2
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -272.694661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.694661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.694661 (E_RNA)
where:
Base-Base interactions energy: -159.938
where: short stacking energy: -98.777
Base-Backbone interact. energy: -1.335
local terms energy: -111.421718
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -173.670630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.670630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.670630 (E_RNA)
where:
Base-Base interactions energy: -75.077
where: short stacking energy: -66.067
Base-Backbone interact. energy: 1.444
local terms energy: -100.036862
where:
bonds (distance) C4'-P energy: -32.889
bonds (distance) P-C4' energy: -30.539
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -8.641
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: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -686.151117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.151117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.151117 (E_RNA)
where:
Base-Base interactions energy: -489.055
where: short stacking energy: -198.679
Base-Backbone interact. energy: -1.344
local terms energy: -195.751808
where:
bonds (distance) C4'-P energy: -35.500
bonds (distance) P-C4' energy: -37.625
flat angles C4'-P-C4' energy: -46.840
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: -53.248
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: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -614.619425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.619425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.619425 (E_RNA)
where:
Base-Base interactions energy: -414.533
where: short stacking energy: -190.581
Base-Backbone interact. energy: 0.351
local terms energy: -200.437941
where:
bonds (distance) C4'-P energy: -39.345
bonds (distance) P-C4' energy: -39.670
flat angles C4'-P-C4' energy: -43.708
flat angles P-C4'-P energy: -22.080
tors. eta vs tors. theta energy: -55.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -609.066453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.066453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.066453 (E_RNA)
where:
Base-Base interactions energy: -402.708
where: short stacking energy: -172.888
Base-Backbone interact. energy: 1.033
local terms energy: -207.391142
where:
bonds (distance) C4'-P energy: -32.908
bonds (distance) P-C4' energy: -42.634
flat angles C4'-P-C4' energy: -40.650
flat angles P-C4'-P energy: -29.010
tors. eta vs tors. theta energy: -62.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -624.577585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.577585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.577585 (E_RNA)
where:
Base-Base interactions energy: -425.415
where: short stacking energy: -182.176
Base-Backbone interact. energy: 0.617
local terms energy: -199.779514
where:
bonds (distance) C4'-P energy: -36.169
bonds (distance) P-C4' energy: -41.500
flat angles C4'-P-C4' energy: -35.147
flat angles P-C4'-P energy: -27.435
tors. eta vs tors. theta energy: -59.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -520.076406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.076406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.076406 (E_RNA)
where:
Base-Base interactions energy: -349.319
where: short stacking energy: -148.564
Base-Backbone interact. energy: -0.105
local terms energy: -170.652405
where:
bonds (distance) C4'-P energy: -35.311
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -35.880
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -36.927
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: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -488.044379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.044379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.044379 (E_RNA)
where:
Base-Base interactions energy: -327.975
where: short stacking energy: -137.340
Base-Backbone interact. energy: -0.974
local terms energy: -159.094791
where:
bonds (distance) C4'-P energy: -42.765
bonds (distance) P-C4' energy: -39.668
flat angles C4'-P-C4' energy: -29.186
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -29.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -390.028220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.028220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.028220 (E_RNA)
where:
Base-Base interactions energy: -244.648
where: short stacking energy: -124.821
Base-Backbone interact. energy: 2.429
local terms energy: -147.809570
where:
bonds (distance) C4'-P energy: -35.740
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -37.974
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -23.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -354.910355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.910355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.910355 (E_RNA)
where:
Base-Base interactions energy: -207.118
where: short stacking energy: -106.128
Base-Backbone interact. energy: 1.093
local terms energy: -148.885777
where:
bonds (distance) C4'-P energy: -29.754
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -36.349
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -28.300
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: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -266.930996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.930996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.930996 (E_RNA)
where:
Base-Base interactions energy: -141.285
where: short stacking energy: -81.747
Base-Backbone interact. energy: -0.134
local terms energy: -125.511576
where:
bonds (distance) C4'-P energy: -27.677
bonds (distance) P-C4' energy: -39.876
flat angles C4'-P-C4' energy: -36.773
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -190.409434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.409434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.409434 (E_RNA)
where:
Base-Base interactions energy: -79.476
where: short stacking energy: -69.724
Base-Backbone interact. energy: -1.048
local terms energy: -109.885694
where:
bonds (distance) C4'-P energy: -29.671
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -28.980
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -689.473608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.473608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.473608 (E_RNA)
where:
Base-Base interactions energy: -479.972
where: short stacking energy: -194.254
Base-Backbone interact. energy: -0.818
local terms energy: -208.683679
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -41.725
flat angles C4'-P-C4' energy: -45.904
flat angles P-C4'-P energy: -33.302
tors. eta vs tors. theta energy: -51.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -619.543549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.543549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.543549 (E_RNA)
where:
Base-Base interactions energy: -414.654
where: short stacking energy: -181.702
Base-Backbone interact. energy: -0.262
local terms energy: -204.627165
where:
bonds (distance) C4'-P energy: -37.759
bonds (distance) P-C4' energy: -38.929
flat angles C4'-P-C4' energy: -44.558
flat angles P-C4'-P energy: -29.272
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: 3, replica: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -607.684882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.684882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.684882 (E_RNA)
where:
Base-Base interactions energy: -414.210
where: short stacking energy: -204.806
Base-Backbone interact. energy: -0.014
local terms energy: -193.461513
where:
bonds (distance) C4'-P energy: -31.077
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -44.361
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -54.738
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: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -622.317185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.317185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.317185 (E_RNA)
where:
Base-Base interactions energy: -424.408
where: short stacking energy: -179.653
Base-Backbone interact. energy: -0.226
local terms energy: -197.683061
where:
bonds (distance) C4'-P energy: -37.314
bonds (distance) P-C4' energy: -38.553
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -24.939
tors. eta vs tors. theta energy: -55.800
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: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -507.482455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.482455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.482455 (E_RNA)
where:
Base-Base interactions energy: -339.012
where: short stacking energy: -148.581
Base-Backbone interact. energy: 1.427
local terms energy: -169.897732
where:
bonds (distance) C4'-P energy: -39.395
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -39.148
flat angles P-C4'-P energy: -32.544
tors. eta vs tors. theta energy: -37.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -394.893842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.893842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.893842 (E_RNA)
where:
Base-Base interactions energy: -234.843
where: short stacking energy: -107.474
Base-Backbone interact. energy: 0.319
local terms energy: -160.369509
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -38.714
flat angles C4'-P-C4' energy: -37.764
flat angles P-C4'-P energy: -31.467
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -438.604496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.604496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.604496 (E_RNA)
where:
Base-Base interactions energy: -274.511
where: short stacking energy: -120.646
Base-Backbone interact. energy: -0.772
local terms energy: -163.322268
where:
bonds (distance) C4'-P energy: -35.300
bonds (distance) P-C4' energy: -37.508
flat angles C4'-P-C4' energy: -39.886
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -23.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -350.931569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.931569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.931569 (E_RNA)
where:
Base-Base interactions energy: -216.761
where: short stacking energy: -105.329
Base-Backbone interact. energy: -0.432
local terms energy: -133.737924
where:
bonds (distance) C4'-P energy: -32.125
bonds (distance) P-C4' energy: -37.679
flat angles C4'-P-C4' energy: -34.646
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -16.770
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: 9, replica: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -259.982757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.982757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.982757 (E_RNA)
where:
Base-Base interactions energy: -137.739
where: short stacking energy: -69.976
Base-Backbone interact. energy: -0.965
local terms energy: -121.279562
where:
bonds (distance) C4'-P energy: -27.066
bonds (distance) P-C4' energy: -37.252
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -25.116
tors. eta vs tors. theta energy: -7.074
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: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -174.502873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.502873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.502873 (E_RNA)
where:
Base-Base interactions energy: -69.488
where: short stacking energy: -60.399
Base-Backbone interact. energy: -0.280
local terms energy: -104.734251
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -29.018
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: 0.824
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: 1, replica: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -697.695962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.695962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.695962 (E_RNA)
where:
Base-Base interactions energy: -497.989
where: short stacking energy: -197.858
Base-Backbone interact. energy: -0.408
local terms energy: -199.298714
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -46.768
flat angles P-C4'-P energy: -31.877
tors. eta vs tors. theta energy: -49.992
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: 412
Temperature: 0.950000
Total energy: -629.462400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.462400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.462400 (E_RNA)
where:
Base-Base interactions energy: -426.686
where: short stacking energy: -179.950
Base-Backbone interact. energy: -1.421
local terms energy: -201.356031
where:
bonds (distance) C4'-P energy: -41.820
bonds (distance) P-C4' energy: -40.126
flat angles C4'-P-C4' energy: -40.204
flat angles P-C4'-P energy: -29.185
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: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -604.168584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.168584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.168584 (E_RNA)
where:
Base-Base interactions energy: -397.435
where: short stacking energy: -191.572
Base-Backbone interact. energy: -0.779
local terms energy: -205.954173
where:
bonds (distance) C4'-P energy: -41.527
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -43.869
flat angles P-C4'-P energy: -28.093
tors. eta vs tors. theta energy: -60.486
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: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -605.301406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.301406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.301406 (E_RNA)
where:
Base-Base interactions energy: -412.532
where: short stacking energy: -168.110
Base-Backbone interact. energy: -0.033
local terms energy: -192.736679
where:
bonds (distance) C4'-P energy: -37.281
bonds (distance) P-C4' energy: -36.833
flat angles C4'-P-C4' energy: -39.440
flat angles P-C4'-P energy: -25.690
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: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -527.983652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.983652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.983652 (E_RNA)
where:
Base-Base interactions energy: -335.404
where: short stacking energy: -149.988
Base-Backbone interact. energy: -0.250
local terms energy: -192.328914
where:
bonds (distance) C4'-P energy: -32.986
bonds (distance) P-C4' energy: -36.906
flat angles C4'-P-C4' energy: -41.585
flat angles P-C4'-P energy: -30.571
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: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -424.113245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.113245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.113245 (E_RNA)
where:
Base-Base interactions energy: -268.248
where: short stacking energy: -117.244
Base-Backbone interact. energy: -0.268
local terms energy: -155.597120
where:
bonds (distance) C4'-P energy: -38.629
bonds (distance) P-C4' energy: -41.973
flat angles C4'-P-C4' energy: -30.526
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -23.627
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: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -442.567795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.567795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.567795 (E_RNA)
where:
Base-Base interactions energy: -287.230
where: short stacking energy: -129.829
Base-Backbone interact. energy: 0.346
local terms energy: -155.683830
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -40.078
flat angles C4'-P-C4' energy: -35.656
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -27.791
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: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -347.455339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.455339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.455339 (E_RNA)
where:
Base-Base interactions energy: -207.835
where: short stacking energy: -96.246
Base-Backbone interact. energy: -1.118
local terms energy: -138.502756
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -33.812
flat angles C4'-P-C4' energy: -37.505
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -18.727
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: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -280.219661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.219661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.219661 (E_RNA)
where:
Base-Base interactions energy: -143.861
where: short stacking energy: -86.868
Base-Backbone interact. energy: -0.014
local terms energy: -136.344558
where:
bonds (distance) C4'-P energy: -34.179
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -32.855
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: -10.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -170.027537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.027537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.027537 (E_RNA)
where:
Base-Base interactions energy: -64.580
where: short stacking energy: -63.739
Base-Backbone interact. energy: -0.427
local terms energy: -105.020478
where:
bonds (distance) C4'-P energy: -35.239
bonds (distance) P-C4' energy: -25.590
flat angles C4'-P-C4' energy: -26.820
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -4.388
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: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -691.486651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.486651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.486651 (E_RNA)
where:
Base-Base interactions energy: -491.601
where: short stacking energy: -185.770
Base-Backbone interact. energy: -0.506
local terms energy: -199.380143
where:
bonds (distance) C4'-P energy: -36.834
bonds (distance) P-C4' energy: -34.834
flat angles C4'-P-C4' energy: -42.269
flat angles P-C4'-P energy: -31.968
tors. eta vs tors. theta energy: -53.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -634.641333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.641333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.641333 (E_RNA)
where:
Base-Base interactions energy: -430.636
where: short stacking energy: -194.789
Base-Backbone interact. energy: 0.193
local terms energy: -204.198553
where:
bonds (distance) C4'-P energy: -39.800
bonds (distance) P-C4' energy: -41.943
flat angles C4'-P-C4' energy: -39.449
flat angles P-C4'-P energy: -31.783
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: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -602.242337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.242337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.242337 (E_RNA)
where:
Base-Base interactions energy: -406.075
where: short stacking energy: -184.407
Base-Backbone interact. energy: -0.705
local terms energy: -195.461976
where:
bonds (distance) C4'-P energy: -37.384
bonds (distance) P-C4' energy: -44.434
flat angles C4'-P-C4' energy: -40.700
flat angles P-C4'-P energy: -24.108
tors. eta vs tors. theta energy: -48.835
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: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -626.542253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.542253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.542253 (E_RNA)
where:
Base-Base interactions energy: -425.662
where: short stacking energy: -186.020
Base-Backbone interact. energy: -0.145
local terms energy: -200.734788
where:
bonds (distance) C4'-P energy: -39.065
bonds (distance) P-C4' energy: -36.682
flat angles C4'-P-C4' energy: -42.154
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -58.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -512.453569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.453569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.453569 (E_RNA)
where:
Base-Base interactions energy: -328.499
where: short stacking energy: -147.858
Base-Backbone interact. energy: -1.599
local terms energy: -182.355538
where:
bonds (distance) C4'-P energy: -39.399
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -38.198
flat angles P-C4'-P energy: -29.494
tors. eta vs tors. theta energy: -42.095
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: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -476.851280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.851280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.851280 (E_RNA)
where:
Base-Base interactions energy: -307.733
where: short stacking energy: -131.714
Base-Backbone interact. energy: -0.922
local terms energy: -168.195862
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -41.681
flat angles C4'-P-C4' energy: -40.504
flat angles P-C4'-P energy: -26.610
tors. eta vs tors. theta energy: -28.414
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: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -397.724215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.724215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.724215 (E_RNA)
where:
Base-Base interactions energy: -253.275
where: short stacking energy: -100.764
Base-Backbone interact. energy: 0.347
local terms energy: -144.796374
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -34.155
flat angles C4'-P-C4' energy: -32.734
flat angles P-C4'-P energy: -29.317
tors. eta vs tors. theta energy: -22.176
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: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -335.300471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.300471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.300471 (E_RNA)
where:
Base-Base interactions energy: -197.347
where: short stacking energy: -93.374
Base-Backbone interact. energy: -0.415
local terms energy: -137.537853
where:
bonds (distance) C4'-P energy: -31.154
bonds (distance) P-C4' energy: -40.193
flat angles C4'-P-C4' energy: -32.650
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -14.743
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: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -303.827970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.827970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.827970 (E_RNA)
where:
Base-Base interactions energy: -177.307
where: short stacking energy: -90.953
Base-Backbone interact. energy: -1.219
local terms energy: -125.302396
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -33.204
flat angles C4'-P-C4' energy: -27.049
flat angles P-C4'-P energy: -21.468
tors. eta vs tors. theta energy: -10.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -197.856398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.856398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.856398 (E_RNA)
where:
Base-Base interactions energy: -69.158
where: short stacking energy: -68.627
Base-Backbone interact. energy: 1.666
local terms energy: -130.364204
where:
bonds (distance) C4'-P energy: -37.148
bonds (distance) P-C4' energy: -31.663
flat angles C4'-P-C4' energy: -29.598
flat angles P-C4'-P energy: -18.642
tors. eta vs tors. theta energy: -13.313
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: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -690.745444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.745444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.745444 (E_RNA)
where:
Base-Base interactions energy: -487.546
where: short stacking energy: -195.995
Base-Backbone interact. energy: -0.928
local terms energy: -202.271307
where:
bonds (distance) C4'-P energy: -32.409
bonds (distance) P-C4' energy: -42.487
flat angles C4'-P-C4' energy: -43.615
flat angles P-C4'-P energy: -29.857
tors. eta vs tors. theta energy: -53.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -643.724776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.724776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.724776 (E_RNA)
where:
Base-Base interactions energy: -436.175
where: short stacking energy: -189.750
Base-Backbone interact. energy: -0.635
local terms energy: -206.915464
where:
bonds (distance) C4'-P energy: -41.578
bonds (distance) P-C4' energy: -43.119
flat angles C4'-P-C4' energy: -41.286
flat angles P-C4'-P energy: -29.430
tors. eta vs tors. theta energy: -51.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -633.112234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.112234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.112234 (E_RNA)
where:
Base-Base interactions energy: -428.245
where: short stacking energy: -203.508
Base-Backbone interact. energy: -1.238
local terms energy: -203.629484
where:
bonds (distance) C4'-P energy: -33.779
bonds (distance) P-C4' energy: -34.083
flat angles C4'-P-C4' energy: -40.435
flat angles P-C4'-P energy: -32.883
tors. eta vs tors. theta energy: -62.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -612.540597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.540597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.540597 (E_RNA)
where:
Base-Base interactions energy: -408.903
where: short stacking energy: -174.650
Base-Backbone interact. energy: -0.376
local terms energy: -203.262290
where:
bonds (distance) C4'-P energy: -45.881
bonds (distance) P-C4' energy: -43.818
flat angles C4'-P-C4' energy: -37.468
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -53.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -526.396106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.396106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.396106 (E_RNA)
where:
Base-Base interactions energy: -337.413
where: short stacking energy: -150.304
Base-Backbone interact. energy: -1.400
local terms energy: -187.583320
where:
bonds (distance) C4'-P energy: -39.261
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -43.192
flat angles P-C4'-P energy: -26.735
tors. eta vs tors. theta energy: -39.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -467.188346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.188346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.188346 (E_RNA)
where:
Base-Base interactions energy: -300.693
where: short stacking energy: -143.229
Base-Backbone interact. energy: -0.208
local terms energy: -166.287453
where:
bonds (distance) C4'-P energy: -32.774
bonds (distance) P-C4' energy: -38.694
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -30.571
tors. eta vs tors. theta energy: -34.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -421.450826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.450826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.450826 (E_RNA)
where:
Base-Base interactions energy: -266.090
where: short stacking energy: -132.653
Base-Backbone interact. energy: -0.037
local terms energy: -155.323468
where:
bonds (distance) C4'-P energy: -38.275
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -30.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -276.632101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.632101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.632101 (E_RNA)
where:
Base-Base interactions energy: -146.004
where: short stacking energy: -95.708
Base-Backbone interact. energy: 2.693
local terms energy: -133.320675
where:
bonds (distance) C4'-P energy: -32.071
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -34.494
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: -17.987
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: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -273.176326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.176326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.176326 (E_RNA)
where:
Base-Base interactions energy: -144.078
where: short stacking energy: -73.341
Base-Backbone interact. energy: 0.017
local terms energy: -129.115152
where:
bonds (distance) C4'-P energy: -23.839
bonds (distance) P-C4' energy: -39.901
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -14.416
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: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -168.464428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.464428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.464428 (E_RNA)
where:
Base-Base interactions energy: -55.378
where: short stacking energy: -51.585
Base-Backbone interact. energy: -1.965
local terms energy: -111.121346
where:
bonds (distance) C4'-P energy: -35.861
bonds (distance) P-C4' energy: -28.901
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: 2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -695.187622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.187622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.187622 (E_RNA)
where:
Base-Base interactions energy: -487.966
where: short stacking energy: -195.386
Base-Backbone interact. energy: -0.144
local terms energy: -207.077198
where:
bonds (distance) C4'-P energy: -36.385
bonds (distance) P-C4' energy: -42.350
flat angles C4'-P-C4' energy: -45.816
flat angles P-C4'-P energy: -28.501
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: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -614.669248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.669248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.669248 (E_RNA)
where:
Base-Base interactions energy: -409.152
where: short stacking energy: -186.266
Base-Backbone interact. energy: -0.392
local terms energy: -205.125882
where:
bonds (distance) C4'-P energy: -44.785
bonds (distance) P-C4' energy: -36.478
flat angles C4'-P-C4' energy: -40.433
flat angles P-C4'-P energy: -24.842
tors. eta vs tors. theta energy: -58.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -600.289928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.289928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.289928 (E_RNA)
where:
Base-Base interactions energy: -407.696
where: short stacking energy: -178.566
Base-Backbone interact. energy: -0.614
local terms energy: -191.980641
where:
bonds (distance) C4'-P energy: -42.731
bonds (distance) P-C4' energy: -31.884
flat angles C4'-P-C4' energy: -40.885
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -50.237
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: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -598.807540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.807540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.807540 (E_RNA)
where:
Base-Base interactions energy: -410.122
where: short stacking energy: -162.291
Base-Backbone interact. energy: -0.176
local terms energy: -188.509742
where:
bonds (distance) C4'-P energy: -31.101
bonds (distance) P-C4' energy: -37.246
flat angles C4'-P-C4' energy: -44.324
flat angles P-C4'-P energy: -24.960
tors. eta vs tors. theta energy: -50.879
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: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -518.176921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.176921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.176921 (E_RNA)
where:
Base-Base interactions energy: -351.009
where: short stacking energy: -161.546
Base-Backbone interact. energy: -1.456
local terms energy: -165.711753
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -33.678
flat angles C4'-P-C4' energy: -43.296
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -40.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -497.343272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.343272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.343272 (E_RNA)
where:
Base-Base interactions energy: -335.304
where: short stacking energy: -132.356
Base-Backbone interact. energy: 2.058
local terms energy: -164.096679
where:
bonds (distance) C4'-P energy: -37.130
bonds (distance) P-C4' energy: -36.094
flat angles C4'-P-C4' energy: -31.211
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -33.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -433.817117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.817117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.817117 (E_RNA)
where:
Base-Base interactions energy: -272.388
where: short stacking energy: -133.687
Base-Backbone interact. energy: -0.593
local terms energy: -160.836041
where:
bonds (distance) C4'-P energy: -40.733
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -37.642
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -27.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -304.324166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.324166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.324166 (E_RNA)
where:
Base-Base interactions energy: -173.599
where: short stacking energy: -79.778
Base-Backbone interact. energy: -0.615
local terms energy: -130.109616
where:
bonds (distance) C4'-P energy: -30.843
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -13.808
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: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -267.062878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.062878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.062878 (E_RNA)
where:
Base-Base interactions energy: -142.867
where: short stacking energy: -76.391
Base-Backbone interact. energy: 0.813
local terms energy: -125.009423
where:
bonds (distance) C4'-P energy: -31.169
bonds (distance) P-C4' energy: -38.368
flat angles C4'-P-C4' energy: -25.149
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -10.941
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: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -158.530062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.530062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.530062 (E_RNA)
where:
Base-Base interactions energy: -62.781
where: short stacking energy: -59.454
Base-Backbone interact. energy: 4.977
local terms energy: -100.726432
where:
bonds (distance) C4'-P energy: -28.330
bonds (distance) P-C4' energy: -36.679
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: 1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -638.855845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.855845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.855845 (E_RNA)
where:
Base-Base interactions energy: -424.149
where: short stacking energy: -202.115
Base-Backbone interact. energy: -0.061
local terms energy: -214.645605
where:
bonds (distance) C4'-P energy: -40.095
bonds (distance) P-C4' energy: -41.231
flat angles C4'-P-C4' energy: -42.124
flat angles P-C4'-P energy: -28.328
tors. eta vs tors. theta energy: -62.868
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: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -663.465618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.465618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.465618 (E_RNA)
where:
Base-Base interactions energy: -465.768
where: short stacking energy: -178.337
Base-Backbone interact. energy: -0.246
local terms energy: -197.451739
where:
bonds (distance) C4'-P energy: -39.679
bonds (distance) P-C4' energy: -37.028
flat angles C4'-P-C4' energy: -42.269
flat angles P-C4'-P energy: -28.132
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: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -612.724458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.724458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.724458 (E_RNA)
where:
Base-Base interactions energy: -417.719
where: short stacking energy: -188.358
Base-Backbone interact. energy: 1.446
local terms energy: -196.450788
where:
bonds (distance) C4'-P energy: -40.738
bonds (distance) P-C4' energy: -35.497
flat angles C4'-P-C4' energy: -41.141
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -58.076
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: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -596.746204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.746204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.746204 (E_RNA)
where:
Base-Base interactions energy: -405.662
where: short stacking energy: -172.431
Base-Backbone interact. energy: -0.377
local terms energy: -190.706780
where:
bonds (distance) C4'-P energy: -34.393
bonds (distance) P-C4' energy: -38.871
flat angles C4'-P-C4' energy: -40.477
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: -46.871
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: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -538.116623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.116623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.116623 (E_RNA)
where:
Base-Base interactions energy: -346.345
where: short stacking energy: -148.288
Base-Backbone interact. energy: -0.558
local terms energy: -191.213669
where:
bonds (distance) C4'-P energy: -37.263
bonds (distance) P-C4' energy: -36.954
flat angles C4'-P-C4' energy: -47.433
flat angles P-C4'-P energy: -31.591
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: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -462.814412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.814412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.814412 (E_RNA)
where:
Base-Base interactions energy: -289.252
where: short stacking energy: -140.838
Base-Backbone interact. energy: -0.454
local terms energy: -173.108147
where:
bonds (distance) C4'-P energy: -36.069
bonds (distance) P-C4' energy: -38.911
flat angles C4'-P-C4' energy: -37.547
flat angles P-C4'-P energy: -27.155
tors. eta vs tors. theta energy: -33.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -458.919256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.919256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.919256 (E_RNA)
where:
Base-Base interactions energy: -290.419
where: short stacking energy: -127.472
Base-Backbone interact. energy: 0.021
local terms energy: -168.521864
where:
bonds (distance) C4'-P energy: -39.945
bonds (distance) P-C4' energy: -35.075
flat angles C4'-P-C4' energy: -37.035
flat angles P-C4'-P energy: -24.830
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: 8, replica: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -301.309142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.309142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.309142 (E_RNA)
where:
Base-Base interactions energy: -179.615
where: short stacking energy: -93.543
Base-Backbone interact. energy: -0.592
local terms energy: -121.101489
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -42.299
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -23.889
tors. eta vs tors. theta energy: -11.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -273.350601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.350601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.350601 (E_RNA)
where:
Base-Base interactions energy: -144.815
where: short stacking energy: -77.452
Base-Backbone interact. energy: -1.413
local terms energy: -127.123131
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -34.971
flat angles C4'-P-C4' energy: -32.265
flat angles P-C4'-P energy: -20.066
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: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -172.976229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.976229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.976229 (E_RNA)
where:
Base-Base interactions energy: -62.360
where: short stacking energy: -56.340
Base-Backbone interact. energy: -0.384
local terms energy: -110.232265
where:
bonds (distance) C4'-P energy: -27.654
bonds (distance) P-C4' energy: -33.625
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -22.747
tors. eta vs tors. theta energy: -0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -655.282926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.282926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.282926 (E_RNA)
where:
Base-Base interactions energy: -429.798
where: short stacking energy: -200.296
Base-Backbone interact. energy: -0.025
local terms energy: -225.459150
where:
bonds (distance) C4'-P energy: -43.587
bonds (distance) P-C4' energy: -42.193
flat angles C4'-P-C4' energy: -47.116
flat angles P-C4'-P energy: -29.687
tors. eta vs tors. theta energy: -62.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -629.636719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.636719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.636719 (E_RNA)
where:
Base-Base interactions energy: -430.413
where: short stacking energy: -189.471
Base-Backbone interact. energy: -0.013
local terms energy: -199.210714
where:
bonds (distance) C4'-P energy: -37.316
bonds (distance) P-C4' energy: -40.699
flat angles C4'-P-C4' energy: -41.470
flat angles P-C4'-P energy: -23.974
tors. eta vs tors. theta energy: -55.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -655.804186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.804186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.804186 (E_RNA)
where:
Base-Base interactions energy: -472.995
where: short stacking energy: -177.119
Base-Backbone interact. energy: -0.101
local terms energy: -182.708209
where:
bonds (distance) C4'-P energy: -36.422
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -36.705
flat angles P-C4'-P energy: -20.874
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: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -580.781187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.781187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.781187 (E_RNA)
where:
Base-Base interactions energy: -400.104
where: short stacking energy: -174.882
Base-Backbone interact. energy: -0.212
local terms energy: -180.465147
where:
bonds (distance) C4'-P energy: -36.496
bonds (distance) P-C4' energy: -37.732
flat angles C4'-P-C4' energy: -32.043
flat angles P-C4'-P energy: -24.026
tors. eta vs tors. theta energy: -50.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -528.017332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.017332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.017332 (E_RNA)
where:
Base-Base interactions energy: -352.268
where: short stacking energy: -153.045
Base-Backbone interact. energy: -0.223
local terms energy: -175.525558
where:
bonds (distance) C4'-P energy: -37.579
bonds (distance) P-C4' energy: -38.100
flat angles C4'-P-C4' energy: -38.292
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: -37.203
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: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -481.700853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.700853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.700853 (E_RNA)
where:
Base-Base interactions energy: -310.091
where: short stacking energy: -138.906
Base-Backbone interact. energy: -0.352
local terms energy: -171.257114
where:
bonds (distance) C4'-P energy: -34.337
bonds (distance) P-C4' energy: -36.600
flat angles C4'-P-C4' energy: -39.691
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -38.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -430.007599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.007599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.007599 (E_RNA)
where:
Base-Base interactions energy: -270.416
where: short stacking energy: -133.942
Base-Backbone interact. energy: -0.263
local terms energy: -159.328694
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -38.305
flat angles C4'-P-C4' energy: -39.412
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -31.659
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: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -283.090903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.090903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.090903 (E_RNA)
where:
Base-Base interactions energy: -162.904
where: short stacking energy: -89.441
Base-Backbone interact. energy: -0.698
local terms energy: -119.488786
where:
bonds (distance) C4'-P energy: -36.471
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -270.678937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.678937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.678937 (E_RNA)
where:
Base-Base interactions energy: -151.571
where: short stacking energy: -86.150
Base-Backbone interact. energy: -0.134
local terms energy: -118.973978
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -31.627
flat angles C4'-P-C4' energy: -29.211
flat angles P-C4'-P energy: -21.484
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -166.413450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.413450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.413450 (E_RNA)
where:
Base-Base interactions energy: -56.293
where: short stacking energy: -40.624
Base-Backbone interact. energy: 1.946
local terms energy: -112.066560
where:
bonds (distance) C4'-P energy: -33.869
bonds (distance) P-C4' energy: -42.033
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -662.521717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.521717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.521717 (E_RNA)
where:
Base-Base interactions energy: -460.158
where: short stacking energy: -197.833
Base-Backbone interact. energy: -0.103
local terms energy: -202.261237
where:
bonds (distance) C4'-P energy: -33.873
bonds (distance) P-C4' energy: -42.307
flat angles C4'-P-C4' energy: -41.037
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -60.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -631.585121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.585121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.585121 (E_RNA)
where:
Base-Base interactions energy: -417.028
where: short stacking energy: -196.363
Base-Backbone interact. energy: 0.431
local terms energy: -214.987368
where:
bonds (distance) C4'-P energy: -43.571
bonds (distance) P-C4' energy: -33.864
flat angles C4'-P-C4' energy: -46.252
flat angles P-C4'-P energy: -33.865
tors. eta vs tors. theta energy: -57.436
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: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -643.717006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.717006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.717006 (E_RNA)
where:
Base-Base interactions energy: -451.263
where: short stacking energy: -174.931
Base-Backbone interact. energy: -1.238
local terms energy: -191.216940
where:
bonds (distance) C4'-P energy: -35.931
bonds (distance) P-C4' energy: -42.863
flat angles C4'-P-C4' energy: -39.124
flat angles P-C4'-P energy: -26.233
tors. eta vs tors. theta energy: -47.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -584.116725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.116725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.116725 (E_RNA)
where:
Base-Base interactions energy: -399.317
where: short stacking energy: -167.176
Base-Backbone interact. energy: -0.708
local terms energy: -184.091776
where:
bonds (distance) C4'-P energy: -39.701
bonds (distance) P-C4' energy: -37.936
flat angles C4'-P-C4' energy: -40.859
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -41.818
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: 418
Temperature: 1.100000
Total energy: -530.764226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.764226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.764226 (E_RNA)
where:
Base-Base interactions energy: -353.419
where: short stacking energy: -156.951
Base-Backbone interact. energy: -0.097
local terms energy: -177.248578
where:
bonds (distance) C4'-P energy: -37.256
bonds (distance) P-C4' energy: -34.736
flat angles C4'-P-C4' energy: -43.977
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -37.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -464.472148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.472148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.472148 (E_RNA)
where:
Base-Base interactions energy: -302.667
where: short stacking energy: -142.838
Base-Backbone interact. energy: 0.468
local terms energy: -162.273686
where:
bonds (distance) C4'-P energy: -33.755
bonds (distance) P-C4' energy: -32.721
flat angles C4'-P-C4' energy: -40.152
flat angles P-C4'-P energy: -26.403
tors. eta vs tors. theta energy: -29.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -422.036940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.036940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.036940 (E_RNA)
where:
Base-Base interactions energy: -265.609
where: short stacking energy: -129.419
Base-Backbone interact. energy: -0.190
local terms energy: -156.237748
where:
bonds (distance) C4'-P energy: -40.912
bonds (distance) P-C4' energy: -31.813
flat angles C4'-P-C4' energy: -35.949
flat angles P-C4'-P energy: -22.755
tors. eta vs tors. theta energy: -24.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -303.337016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.337016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.337016 (E_RNA)
where:
Base-Base interactions energy: -157.865
where: short stacking energy: -102.312
Base-Backbone interact. energy: -0.567
local terms energy: -144.904697
where:
bonds (distance) C4'-P energy: -31.214
bonds (distance) P-C4' energy: -37.092
flat angles C4'-P-C4' energy: -35.311
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -23.145
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: 418
Temperature: 1.300000
Total energy: -267.330963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.330963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.330963 (E_RNA)
where:
Base-Base interactions energy: -144.806
where: short stacking energy: -89.231
Base-Backbone interact. energy: 0.571
local terms energy: -123.096536
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -34.777
flat angles C4'-P-C4' energy: -38.482
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -9.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -164.244089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.244089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.244089 (E_RNA)
where:
Base-Base interactions energy: -64.859
where: short stacking energy: -58.655
Base-Backbone interact. energy: -0.390
local terms energy: -98.995361
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -36.494
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -646.482342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.482342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.482342 (E_RNA)
where:
Base-Base interactions energy: -446.583
where: short stacking energy: -188.011
Base-Backbone interact. energy: -0.171
local terms energy: -199.728120
where:
bonds (distance) C4'-P energy: -35.152
bonds (distance) P-C4' energy: -35.622
flat angles C4'-P-C4' energy: -41.758
flat angles P-C4'-P energy: -25.523
tors. eta vs tors. theta energy: -61.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -622.092429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.092429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.092429 (E_RNA)
where:
Base-Base interactions energy: -402.180
where: short stacking energy: -187.527
Base-Backbone interact. energy: -1.250
local terms energy: -218.661963
where:
bonds (distance) C4'-P energy: -37.857
bonds (distance) P-C4' energy: -37.639
flat angles C4'-P-C4' energy: -45.236
flat angles P-C4'-P energy: -34.440
tors. eta vs tors. theta energy: -63.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -648.511235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.511235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.511235 (E_RNA)
where:
Base-Base interactions energy: -448.871
where: short stacking energy: -185.706
Base-Backbone interact. energy: -1.270
local terms energy: -198.369511
where:
bonds (distance) C4'-P energy: -38.415
bonds (distance) P-C4' energy: -38.173
flat angles C4'-P-C4' energy: -41.667
flat angles P-C4'-P energy: -29.405
tors. eta vs tors. theta energy: -50.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -576.670547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.670547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.670547 (E_RNA)
where:
Base-Base interactions energy: -409.513
where: short stacking energy: -169.711
Base-Backbone interact. energy: -0.531
local terms energy: -166.626475
where:
bonds (distance) C4'-P energy: -31.436
bonds (distance) P-C4' energy: -28.454
flat angles C4'-P-C4' energy: -34.694
flat angles P-C4'-P energy: -25.041
tors. eta vs tors. theta energy: -47.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -536.797094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.797094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.797094 (E_RNA)
where:
Base-Base interactions energy: -362.666
where: short stacking energy: -146.095
Base-Backbone interact. energy: -1.204
local terms energy: -172.927740
where:
bonds (distance) C4'-P energy: -39.730
bonds (distance) P-C4' energy: -39.801
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -23.850
tors. eta vs tors. theta energy: -41.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -441.407385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.407385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.407385 (E_RNA)
where:
Base-Base interactions energy: -294.154
where: short stacking energy: -124.977
Base-Backbone interact. energy: -1.480
local terms energy: -145.774369
where:
bonds (distance) C4'-P energy: -29.904
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -36.788
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: -26.987
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: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -442.941005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.941005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.941005 (E_RNA)
where:
Base-Base interactions energy: -286.193
where: short stacking energy: -128.984
Base-Backbone interact. energy: 0.597
local terms energy: -157.345402
where:
bonds (distance) C4'-P energy: -33.118
bonds (distance) P-C4' energy: -28.636
flat angles C4'-P-C4' energy: -40.313
flat angles P-C4'-P energy: -27.104
tors. eta vs tors. theta energy: -28.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -272.330833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.330833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.330833 (E_RNA)
where:
Base-Base interactions energy: -146.753
where: short stacking energy: -96.455
Base-Backbone interact. energy: 3.050
local terms energy: -128.628142
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -29.833
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -20.037
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: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -269.376265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.376265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.376265 (E_RNA)
where:
Base-Base interactions energy: -135.582
where: short stacking energy: -71.403
Base-Backbone interact. energy: -0.550
local terms energy: -133.244477
where:
bonds (distance) C4'-P energy: -33.232
bonds (distance) P-C4' energy: -38.091
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -3.818
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: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -193.200110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.200110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.200110 (E_RNA)
where:
Base-Base interactions energy: -81.573
where: short stacking energy: -47.350
Base-Backbone interact. energy: -0.858
local terms energy: -110.768824
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -32.327
flat angles C4'-P-C4' energy: -26.466
flat angles P-C4'-P energy: -19.506
tors. eta vs tors. theta energy: -6.827
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: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -654.180085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.180085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.180085 (E_RNA)
where:
Base-Base interactions energy: -444.057
where: short stacking energy: -190.419
Base-Backbone interact. energy: -0.209
local terms energy: -209.914285
where:
bonds (distance) C4'-P energy: -39.738
bonds (distance) P-C4' energy: -37.119
flat angles C4'-P-C4' energy: -46.298
flat angles P-C4'-P energy: -32.444
tors. eta vs tors. theta energy: -54.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -626.114122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.114122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.114122 (E_RNA)
where:
Base-Base interactions energy: -404.525
where: short stacking energy: -198.444
Base-Backbone interact. energy: -0.003
local terms energy: -221.585946
where:
bonds (distance) C4'-P energy: -42.320
bonds (distance) P-C4' energy: -40.437
flat angles C4'-P-C4' energy: -47.143
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: -63.647
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: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -654.622746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.622746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.622746 (E_RNA)
where:
Base-Base interactions energy: -460.136
where: short stacking energy: -190.751
Base-Backbone interact. energy: -0.499
local terms energy: -193.987921
where:
bonds (distance) C4'-P energy: -40.020
bonds (distance) P-C4' energy: -36.992
flat angles C4'-P-C4' energy: -41.703
flat angles P-C4'-P energy: -26.570
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: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -594.051055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.051055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.051055 (E_RNA)
where:
Base-Base interactions energy: -399.961
where: short stacking energy: -167.143
Base-Backbone interact. energy: -0.168
local terms energy: -193.921577
where:
bonds (distance) C4'-P energy: -31.089
bonds (distance) P-C4' energy: -40.517
flat angles C4'-P-C4' energy: -39.999
flat angles P-C4'-P energy: -26.550
tors. eta vs tors. theta energy: -55.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -517.905383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.905383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.905383 (E_RNA)
where:
Base-Base interactions energy: -347.444
where: short stacking energy: -154.756
Base-Backbone interact. energy: -0.568
local terms energy: -169.893071
where:
bonds (distance) C4'-P energy: -33.809
bonds (distance) P-C4' energy: -33.793
flat angles C4'-P-C4' energy: -36.534
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -39.110
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: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -441.366292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.366292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.366292 (E_RNA)
where:
Base-Base interactions energy: -283.422
where: short stacking energy: -119.004
Base-Backbone interact. energy: -0.466
local terms energy: -157.478356
where:
bonds (distance) C4'-P energy: -37.575
bonds (distance) P-C4' energy: -41.831
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -27.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -439.935166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.935166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.935166 (E_RNA)
where:
Base-Base interactions energy: -297.952
where: short stacking energy: -143.436
Base-Backbone interact. energy: 1.388
local terms energy: -143.371645
where:
bonds (distance) C4'-P energy: -32.975
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -31.693
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: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -280.213465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.213465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.213465 (E_RNA)
where:
Base-Base interactions energy: -147.856
where: short stacking energy: -87.286
Base-Backbone interact. energy: 0.526
local terms energy: -132.883624
where:
bonds (distance) C4'-P energy: -32.493
bonds (distance) P-C4' energy: -26.910
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -22.534
tors. eta vs tors. theta energy: -21.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -260.685914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.685914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.685914 (E_RNA)
where:
Base-Base interactions energy: -128.981
where: short stacking energy: -69.715
Base-Backbone interact. energy: -0.675
local terms energy: -131.029586
where:
bonds (distance) C4'-P energy: -33.690
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -34.818
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -7.288
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: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -171.005429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.005429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.005429 (E_RNA)
where:
Base-Base interactions energy: -51.736
where: short stacking energy: -45.198
Base-Backbone interact. energy: -1.125
local terms energy: -118.145049
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -39.510
flat angles C4'-P-C4' energy: -27.974
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -2.140
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: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -654.664855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.664855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.664855 (E_RNA)
where:
Base-Base interactions energy: -444.963
where: short stacking energy: -197.041
Base-Backbone interact. energy: -0.090
local terms energy: -209.611309
where:
bonds (distance) C4'-P energy: -36.155
bonds (distance) P-C4' energy: -38.992
flat angles C4'-P-C4' energy: -43.629
flat angles P-C4'-P energy: -29.599
tors. eta vs tors. theta energy: -61.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -648.618480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.618480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.618480 (E_RNA)
where:
Base-Base interactions energy: -454.983
where: short stacking energy: -188.134
Base-Backbone interact. energy: 1.536
local terms energy: -195.171854
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -35.133
flat angles C4'-P-C4' energy: -42.709
flat angles P-C4'-P energy: -25.246
tors. eta vs tors. theta energy: -52.138
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: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -612.534071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.534071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.534071 (E_RNA)
where:
Base-Base interactions energy: -404.758
where: short stacking energy: -192.725
Base-Backbone interact. energy: 0.069
local terms energy: -207.845299
where:
bonds (distance) C4'-P energy: -36.161
bonds (distance) P-C4' energy: -39.765
flat angles C4'-P-C4' energy: -44.195
flat angles P-C4'-P energy: -26.320
tors. eta vs tors. theta energy: -61.404
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: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -574.309035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.309035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.309035 (E_RNA)
where:
Base-Base interactions energy: -400.632
where: short stacking energy: -167.047
Base-Backbone interact. energy: 0.268
local terms energy: -173.945980
where:
bonds (distance) C4'-P energy: -40.335
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -29.309
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -48.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -508.712976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.712976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.712976 (E_RNA)
where:
Base-Base interactions energy: -349.076
where: short stacking energy: -160.357
Base-Backbone interact. energy: -0.484
local terms energy: -159.153635
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -33.815
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -45.940
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: 6, replica: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -482.628359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.628359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.628359 (E_RNA)
where:
Base-Base interactions energy: -308.172
where: short stacking energy: -143.899
Base-Backbone interact. energy: -0.340
local terms energy: -174.116863
where:
bonds (distance) C4'-P energy: -34.025
bonds (distance) P-C4' energy: -32.579
flat angles C4'-P-C4' energy: -42.279
flat angles P-C4'-P energy: -27.397
tors. eta vs tors. theta energy: -37.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -444.578823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.578823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.578823 (E_RNA)
where:
Base-Base interactions energy: -288.055
where: short stacking energy: -131.254
Base-Backbone interact. energy: -0.135
local terms energy: -156.388310
where:
bonds (distance) C4'-P energy: -33.942
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -27.646
tors. eta vs tors. theta energy: -26.090
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: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -282.158294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.158294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.158294 (E_RNA)
where:
Base-Base interactions energy: -151.869
where: short stacking energy: -92.643
Base-Backbone interact. energy: -0.368
local terms energy: -129.922053
where:
bonds (distance) C4'-P energy: -31.063
bonds (distance) P-C4' energy: -32.360
flat angles C4'-P-C4' energy: -32.014
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -16.918
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: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -256.731798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.731798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.731798 (E_RNA)
where:
Base-Base interactions energy: -134.794
where: short stacking energy: -78.103
Base-Backbone interact. energy: 1.964
local terms energy: -123.902377
where:
bonds (distance) C4'-P energy: -39.120
bonds (distance) P-C4' energy: -35.443
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -4.576
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: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -157.850888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.850888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.850888 (E_RNA)
where:
Base-Base interactions energy: -37.667
where: short stacking energy: -37.538
Base-Backbone interact. energy: -0.834
local terms energy: -119.349693
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -37.524
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -26.697
tors. eta vs tors. theta energy: 2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -666.167817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.167817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.167817 (E_RNA)
where:
Base-Base interactions energy: -445.845
where: short stacking energy: -197.520
Base-Backbone interact. energy: -0.363
local terms energy: -219.960478
where:
bonds (distance) C4'-P energy: -41.953
bonds (distance) P-C4' energy: -41.491
flat angles C4'-P-C4' energy: -43.321
flat angles P-C4'-P energy: -33.208
tors. eta vs tors. theta energy: -59.987
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: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -660.207470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.207470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.207470 (E_RNA)
where:
Base-Base interactions energy: -480.455
where: short stacking energy: -192.406
Base-Backbone interact. energy: 1.191
local terms energy: -180.943781
where:
bonds (distance) C4'-P energy: -28.768
bonds (distance) P-C4' energy: -32.521
flat angles C4'-P-C4' energy: -36.595
flat angles P-C4'-P energy: -28.095
tors. eta vs tors. theta energy: -54.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -608.339973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.339973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.339973 (E_RNA)
where:
Base-Base interactions energy: -411.896
where: short stacking energy: -170.420
Base-Backbone interact. energy: -0.859
local terms energy: -195.585907
where:
bonds (distance) C4'-P energy: -37.838
bonds (distance) P-C4' energy: -35.115
flat angles C4'-P-C4' energy: -41.667
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -53.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -571.000147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.000147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.000147 (E_RNA)
where:
Base-Base interactions energy: -378.230
where: short stacking energy: -173.522
Base-Backbone interact. energy: -0.311
local terms energy: -192.459884
where:
bonds (distance) C4'-P energy: -34.547
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -45.381
flat angles P-C4'-P energy: -22.333
tors. eta vs tors. theta energy: -57.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -478.335354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.335354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.335354 (E_RNA)
where:
Base-Base interactions energy: -307.864
where: short stacking energy: -139.195
Base-Backbone interact. energy: -0.665
local terms energy: -169.806283
where:
bonds (distance) C4'-P energy: -33.324
bonds (distance) P-C4' energy: -45.319
flat angles C4'-P-C4' energy: -38.184
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -36.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -476.464849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.464849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.464849 (E_RNA)
where:
Base-Base interactions energy: -312.297
where: short stacking energy: -144.767
Base-Backbone interact. energy: -0.784
local terms energy: -163.383220
where:
bonds (distance) C4'-P energy: -27.850
bonds (distance) P-C4' energy: -35.137
flat angles C4'-P-C4' energy: -37.697
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -33.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -450.416301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.416301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.416301 (E_RNA)
where:
Base-Base interactions energy: -293.583
where: short stacking energy: -140.814
Base-Backbone interact. energy: -1.032
local terms energy: -155.801497
where:
bonds (distance) C4'-P energy: -35.963
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -37.412
flat angles P-C4'-P energy: -26.414
tors. eta vs tors. theta energy: -32.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -287.153713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.153713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.153713 (E_RNA)
where:
Base-Base interactions energy: -158.388
where: short stacking energy: -83.889
Base-Backbone interact. energy: -0.732
local terms energy: -128.034182
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -39.957
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -252.432986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.432986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.432986 (E_RNA)
where:
Base-Base interactions energy: -123.345
where: short stacking energy: -67.996
Base-Backbone interact. energy: -0.494
local terms energy: -128.594126
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -36.529
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -0.958
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: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -190.577722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.577722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.577722 (E_RNA)
where:
Base-Base interactions energy: -89.117
where: short stacking energy: -49.866
Base-Backbone interact. energy: -0.621
local terms energy: -100.839835
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -37.367
flat angles C4'-P-C4' energy: -29.283
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: 8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -677.477022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.477022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.477022 (E_RNA)
where:
Base-Base interactions energy: -455.787
where: short stacking energy: -203.050
Base-Backbone interact. energy: -0.117
local terms energy: -221.572879
where:
bonds (distance) C4'-P energy: -40.385
bonds (distance) P-C4' energy: -43.202
flat angles C4'-P-C4' energy: -44.691
flat angles P-C4'-P energy: -28.179
tors. eta vs tors. theta energy: -65.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -660.049331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.049331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.049331 (E_RNA)
where:
Base-Base interactions energy: -469.078
where: short stacking energy: -184.752
Base-Backbone interact. energy: 2.182
local terms energy: -193.153050
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -42.111
flat angles P-C4'-P energy: -30.579
tors. eta vs tors. theta energy: -53.296
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: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -620.853351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.853351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.853351 (E_RNA)
where:
Base-Base interactions energy: -420.986
where: short stacking energy: -184.151
Base-Backbone interact. energy: -0.191
local terms energy: -199.676625
where:
bonds (distance) C4'-P energy: -36.787
bonds (distance) P-C4' energy: -36.643
flat angles C4'-P-C4' energy: -39.847
flat angles P-C4'-P energy: -31.725
tors. eta vs tors. theta energy: -54.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -578.464407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.464407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.464407 (E_RNA)
where:
Base-Base interactions energy: -381.993
where: short stacking energy: -176.305
Base-Backbone interact. energy: 0.266
local terms energy: -196.736976
where:
bonds (distance) C4'-P energy: -37.873
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -38.820
flat angles P-C4'-P energy: -28.746
tors. eta vs tors. theta energy: -56.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -477.777841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.777841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.777841 (E_RNA)
where:
Base-Base interactions energy: -306.970
where: short stacking energy: -138.857
Base-Backbone interact. energy: -0.410
local terms energy: -170.397377
where:
bonds (distance) C4'-P energy: -41.188
bonds (distance) P-C4' energy: -35.454
flat angles C4'-P-C4' energy: -36.689
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -32.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -460.132236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.132236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.132236 (E_RNA)
where:
Base-Base interactions energy: -298.212
where: short stacking energy: -127.486
Base-Backbone interact. energy: -0.232
local terms energy: -161.687824
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -38.847
flat angles C4'-P-C4' energy: -36.891
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -32.216
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: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -430.804157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.804157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.804157 (E_RNA)
where:
Base-Base interactions energy: -275.743
where: short stacking energy: -133.449
Base-Backbone interact. energy: 0.560
local terms energy: -155.621107
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: -33.780
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: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -280.346671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.346671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.346671 (E_RNA)
where:
Base-Base interactions energy: -137.318
where: short stacking energy: -80.839
Base-Backbone interact. energy: -0.900
local terms energy: -142.128870
where:
bonds (distance) C4'-P energy: -37.433
bonds (distance) P-C4' energy: -36.198
flat angles C4'-P-C4' energy: -37.128
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: -10.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -268.605935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.605935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.605935 (E_RNA)
where:
Base-Base interactions energy: -146.678
where: short stacking energy: -90.042
Base-Backbone interact. energy: -0.315
local terms energy: -121.613261
where:
bonds (distance) C4'-P energy: -26.215
bonds (distance) P-C4' energy: -32.238
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -24.935
tors. eta vs tors. theta energy: -14.716
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: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -154.934893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.934893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.934893 (E_RNA)
where:
Base-Base interactions energy: -46.691
where: short stacking energy: -43.496
Base-Backbone interact. energy: 1.938
local terms energy: -110.181276
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -28.244
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -21.736
tors. eta vs tors. theta energy: 5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -686.274868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.274868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.274868 (E_RNA)
where:
Base-Base interactions energy: -488.595
where: short stacking energy: -186.506
Base-Backbone interact. energy: -0.903
local terms energy: -196.777378
where:
bonds (distance) C4'-P energy: -40.269
bonds (distance) P-C4' energy: -37.230
flat angles C4'-P-C4' energy: -37.364
flat angles P-C4'-P energy: -33.337
tors. eta vs tors. theta energy: -48.577
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: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -653.664814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.664814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.664814 (E_RNA)
where:
Base-Base interactions energy: -436.493
where: short stacking energy: -190.508
Base-Backbone interact. energy: -0.204
local terms energy: -216.967711
where:
bonds (distance) C4'-P energy: -42.254
bonds (distance) P-C4' energy: -35.788
flat angles C4'-P-C4' energy: -43.836
flat angles P-C4'-P energy: -31.505
tors. eta vs tors. theta energy: -63.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -615.358537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.358537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.358537 (E_RNA)
where:
Base-Base interactions energy: -424.818
where: short stacking energy: -169.481
Base-Backbone interact. energy: -0.259
local terms energy: -190.281450
where:
bonds (distance) C4'-P energy: -29.182
bonds (distance) P-C4' energy: -37.918
flat angles C4'-P-C4' energy: -44.435
flat angles P-C4'-P energy: -28.545
tors. eta vs tors. theta energy: -50.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -568.558492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.558492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.558492 (E_RNA)
where:
Base-Base interactions energy: -373.756
where: short stacking energy: -176.009
Base-Backbone interact. energy: -0.446
local terms energy: -194.355703
where:
bonds (distance) C4'-P energy: -33.259
bonds (distance) P-C4' energy: -38.201
flat angles C4'-P-C4' energy: -38.999
flat angles P-C4'-P energy: -27.068
tors. eta vs tors. theta energy: -56.829
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: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -472.245037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.245037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.245037 (E_RNA)
where:
Base-Base interactions energy: -288.841
where: short stacking energy: -127.504
Base-Backbone interact. energy: -0.753
local terms energy: -182.650965
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -42.837
flat angles P-C4'-P energy: -29.617
tors. eta vs tors. theta energy: -38.515
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: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -497.253906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.253906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.253906 (E_RNA)
where:
Base-Base interactions energy: -317.985
where: short stacking energy: -142.596
Base-Backbone interact. energy: 0.102
local terms energy: -179.371634
where:
bonds (distance) C4'-P energy: -31.351
bonds (distance) P-C4' energy: -36.987
flat angles C4'-P-C4' energy: -42.945
flat angles P-C4'-P energy: -31.077
tors. eta vs tors. theta energy: -37.011
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: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -466.176410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.176410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.176410 (E_RNA)
where:
Base-Base interactions energy: -305.973
where: short stacking energy: -142.372
Base-Backbone interact. energy: -0.201
local terms energy: -160.002393
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -38.673
flat angles P-C4'-P energy: -19.964
tors. eta vs tors. theta energy: -38.498
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: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -260.276737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.276737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.276737 (E_RNA)
where:
Base-Base interactions energy: -133.953
where: short stacking energy: -87.124
Base-Backbone interact. energy: -1.009
local terms energy: -125.314426
where:
bonds (distance) C4'-P energy: -28.565
bonds (distance) P-C4' energy: -29.446
flat angles C4'-P-C4' energy: -36.925
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -262.589436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.589436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.589436 (E_RNA)
where:
Base-Base interactions energy: -144.605
where: short stacking energy: -74.232
Base-Backbone interact. energy: -0.334
local terms energy: -117.651188
where:
bonds (distance) C4'-P energy: -30.353
bonds (distance) P-C4' energy: -35.410
flat angles C4'-P-C4' energy: -33.235
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -1.180
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: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -173.616506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.616506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.616506 (E_RNA)
where:
Base-Base interactions energy: -63.170
where: short stacking energy: -45.834
Base-Backbone interact. energy: 0.462
local terms energy: -110.908505
where:
bonds (distance) C4'-P energy: -32.076
bonds (distance) P-C4' energy: -31.419
flat angles C4'-P-C4' energy: -33.533
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: 1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -672.764754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.764754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.764754 (E_RNA)
where:
Base-Base interactions energy: -466.962
where: short stacking energy: -180.790
Base-Backbone interact. energy: -1.287
local terms energy: -204.515544
where:
bonds (distance) C4'-P energy: -37.160
bonds (distance) P-C4' energy: -43.374
flat angles C4'-P-C4' energy: -41.840
flat angles P-C4'-P energy: -31.929
tors. eta vs tors. theta energy: -50.212
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -656.475640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.475640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.475640 (E_RNA)
where:
Base-Base interactions energy: -437.749
where: short stacking energy: -193.448
Base-Backbone interact. energy: -0.581
local terms energy: -218.145438
where:
bonds (distance) C4'-P energy: -40.189
bonds (distance) P-C4' energy: -42.553
flat angles C4'-P-C4' energy: -46.086
flat angles P-C4'-P energy: -30.037
tors. eta vs tors. theta energy: -59.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -631.310555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.310555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.310555 (E_RNA)
where:
Base-Base interactions energy: -418.152
where: short stacking energy: -181.469
Base-Backbone interact. energy: -0.380
local terms energy: -212.779085
where:
bonds (distance) C4'-P energy: -36.410
bonds (distance) P-C4' energy: -40.663
flat angles C4'-P-C4' energy: -45.607
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -56.665
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: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -559.939085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.939085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.939085 (E_RNA)
where:
Base-Base interactions energy: -387.961
where: short stacking energy: -181.299
Base-Backbone interact. energy: 0.065
local terms energy: -172.043318
where:
bonds (distance) C4'-P energy: -31.253
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -29.658
flat angles P-C4'-P energy: -20.873
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: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -480.197422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.197422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.197422 (E_RNA)
where:
Base-Base interactions energy: -329.304
where: short stacking energy: -145.167
Base-Backbone interact. energy: -0.362
local terms energy: -150.531620
where:
bonds (distance) C4'-P energy: -35.764
bonds (distance) P-C4' energy: -31.162
flat angles C4'-P-C4' energy: -37.311
flat angles P-C4'-P energy: -17.734
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: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -464.752318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.752318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.752318 (E_RNA)
where:
Base-Base interactions energy: -307.706
where: short stacking energy: -140.136
Base-Backbone interact. energy: -0.160
local terms energy: -156.886173
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -34.000
flat angles C4'-P-C4' energy: -34.531
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -35.710
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: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -493.209301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.209301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.209301 (E_RNA)
where:
Base-Base interactions energy: -330.985
where: short stacking energy: -157.015
Base-Backbone interact. energy: -0.295
local terms energy: -161.929039
where:
bonds (distance) C4'-P energy: -28.490
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -25.404
flat angles P-C4'-P energy: -21.252
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: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -278.980034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.980034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.980034 (E_RNA)
where:
Base-Base interactions energy: -151.852
where: short stacking energy: -94.422
Base-Backbone interact. energy: 1.460
local terms energy: -128.588156
where:
bonds (distance) C4'-P energy: -27.554
bonds (distance) P-C4' energy: -32.303
flat angles C4'-P-C4' energy: -36.714
flat angles P-C4'-P energy: -22.196
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: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -280.836746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.836746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.836746 (E_RNA)
where:
Base-Base interactions energy: -156.495
where: short stacking energy: -89.844
Base-Backbone interact. energy: -1.103
local terms energy: -123.239228
where:
bonds (distance) C4'-P energy: -34.786
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -11.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -173.659935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.659935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.659935 (E_RNA)
where:
Base-Base interactions energy: -52.542
where: short stacking energy: -45.365
Base-Backbone interact. energy: -0.608
local terms energy: -120.509975
where:
bonds (distance) C4'-P energy: -31.798
bonds (distance) P-C4' energy: -37.455
flat angles C4'-P-C4' energy: -33.751
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: 3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -666.391077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.391077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.391077 (E_RNA)
where:
Base-Base interactions energy: -459.176
where: short stacking energy: -187.004
Base-Backbone interact. energy: -1.107
local terms energy: -206.108008
where:
bonds (distance) C4'-P energy: -35.543
bonds (distance) P-C4' energy: -37.214
flat angles C4'-P-C4' energy: -44.143
flat angles P-C4'-P energy: -34.725
tors. eta vs tors. theta energy: -54.484
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: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -645.264658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.264658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.264658 (E_RNA)
where:
Base-Base interactions energy: -443.644
where: short stacking energy: -199.294
Base-Backbone interact. energy: 1.206
local terms energy: -202.826344
where:
bonds (distance) C4'-P energy: -35.328
bonds (distance) P-C4' energy: -40.286
flat angles C4'-P-C4' energy: -38.806
flat angles P-C4'-P energy: -28.874
tors. eta vs tors. theta energy: -59.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -608.985409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.985409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.985409 (E_RNA)
where:
Base-Base interactions energy: -395.436
where: short stacking energy: -182.581
Base-Backbone interact. energy: -0.305
local terms energy: -213.243817
where:
bonds (distance) C4'-P energy: -40.404
bonds (distance) P-C4' energy: -39.049
flat angles C4'-P-C4' energy: -47.249
flat angles P-C4'-P energy: -33.731
tors. eta vs tors. theta energy: -52.811
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: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -599.783716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.783716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.783716 (E_RNA)
where:
Base-Base interactions energy: -401.011
where: short stacking energy: -176.866
Base-Backbone interact. energy: -1.218
local terms energy: -197.555183
where:
bonds (distance) C4'-P energy: -36.914
bonds (distance) P-C4' energy: -35.292
flat angles C4'-P-C4' energy: -39.635
flat angles P-C4'-P energy: -27.846
tors. eta vs tors. theta energy: -57.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -526.007189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.007189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.007189 (E_RNA)
where:
Base-Base interactions energy: -340.929
where: short stacking energy: -149.743
Base-Backbone interact. energy: -0.033
local terms energy: -185.044894
where:
bonds (distance) C4'-P energy: -41.027
bonds (distance) P-C4' energy: -37.745
flat angles C4'-P-C4' energy: -37.221
flat angles P-C4'-P energy: -27.593
tors. eta vs tors. theta energy: -41.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -452.565498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.565498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.565498 (E_RNA)
where:
Base-Base interactions energy: -299.324
where: short stacking energy: -130.227
Base-Backbone interact. energy: 1.195
local terms energy: -154.435605
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -32.233
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -25.824
tors. eta vs tors. theta energy: -30.900
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: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -474.625881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.625881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.625881 (E_RNA)
where:
Base-Base interactions energy: -310.874
where: short stacking energy: -131.585
Base-Backbone interact. energy: -0.798
local terms energy: -162.953623
where:
bonds (distance) C4'-P energy: -37.179
bonds (distance) P-C4' energy: -37.687
flat angles C4'-P-C4' energy: -40.002
flat angles P-C4'-P energy: -16.373
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: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -271.096284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.096284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.096284 (E_RNA)
where:
Base-Base interactions energy: -143.559
where: short stacking energy: -91.752
Base-Backbone interact. energy: 0.041
local terms energy: -127.577377
where:
bonds (distance) C4'-P energy: -30.427
bonds (distance) P-C4' energy: -40.462
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -278.149009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.149009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.149009 (E_RNA)
where:
Base-Base interactions energy: -152.559
where: short stacking energy: -77.653
Base-Backbone interact. energy: 0.157
local terms energy: -125.747025
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -40.008
flat angles C4'-P-C4' energy: -32.240
flat angles P-C4'-P energy: -22.386
tors. eta vs tors. theta energy: -5.282
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: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -170.016922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.016922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.016922 (E_RNA)
where:
Base-Base interactions energy: -60.987
where: short stacking energy: -51.231
Base-Backbone interact. energy: 1.593
local terms energy: -110.623023
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -9.294
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: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -687.314398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.314398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.314398 (E_RNA)
where:
Base-Base interactions energy: -471.853
where: short stacking energy: -189.227
Base-Backbone interact. energy: 0.720
local terms energy: -216.181666
where:
bonds (distance) C4'-P energy: -42.897
bonds (distance) P-C4' energy: -43.498
flat angles C4'-P-C4' energy: -43.382
flat angles P-C4'-P energy: -32.307
tors. eta vs tors. theta energy: -54.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -661.775071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.775071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.775071 (E_RNA)
where:
Base-Base interactions energy: -444.542
where: short stacking energy: -196.141
Base-Backbone interact. energy: -0.798
local terms energy: -216.435679
where:
bonds (distance) C4'-P energy: -38.158
bonds (distance) P-C4' energy: -35.596
flat angles C4'-P-C4' energy: -45.267
flat angles P-C4'-P energy: -33.766
tors. eta vs tors. theta energy: -63.647
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: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -595.873901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.873901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.873901 (E_RNA)
where:
Base-Base interactions energy: -399.636
where: short stacking energy: -181.754
Base-Backbone interact. energy: -0.078
local terms energy: -196.160208
where:
bonds (distance) C4'-P energy: -38.883
bonds (distance) P-C4' energy: -39.887
flat angles C4'-P-C4' energy: -33.529
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -61.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -561.573488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.573488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.573488 (E_RNA)
where:
Base-Base interactions energy: -367.208
where: short stacking energy: -181.175
Base-Backbone interact. energy: 0.155
local terms energy: -194.520777
where:
bonds (distance) C4'-P energy: -31.224
bonds (distance) P-C4' energy: -38.371
flat angles C4'-P-C4' energy: -43.671
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -48.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -572.931593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.931593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.931593 (E_RNA)
where:
Base-Base interactions energy: -386.229
where: short stacking energy: -177.412
Base-Backbone interact. energy: -0.172
local terms energy: -186.530390
where:
bonds (distance) C4'-P energy: -35.856
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -38.368
flat angles P-C4'-P energy: -26.027
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: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -486.682839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.682839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.682839 (E_RNA)
where:
Base-Base interactions energy: -313.709
where: short stacking energy: -142.700
Base-Backbone interact. energy: -0.032
local terms energy: -172.942052
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -36.086
flat angles C4'-P-C4' energy: -43.760
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -33.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -436.682154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.682154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.682154 (E_RNA)
where:
Base-Base interactions energy: -262.038
where: short stacking energy: -107.106
Base-Backbone interact. energy: 1.095
local terms energy: -175.739643
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -35.795
flat angles C4'-P-C4' energy: -39.040
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: -33.124
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: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -351.601764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.601764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.601764 (E_RNA)
where:
Base-Base interactions energy: -216.841
where: short stacking energy: -94.723
Base-Backbone interact. energy: -0.129
local terms energy: -134.631822
where:
bonds (distance) C4'-P energy: -33.271
bonds (distance) P-C4' energy: -43.652
flat angles C4'-P-C4' energy: -28.377
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -9.234
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: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -274.388504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.388504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.388504 (E_RNA)
where:
Base-Base interactions energy: -132.298
where: short stacking energy: -72.394
Base-Backbone interact. energy: -0.350
local terms energy: -141.740433
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -35.368
flat angles C4'-P-C4' energy: -38.684
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -14.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -169.418834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.418834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.418834 (E_RNA)
where:
Base-Base interactions energy: -58.962
where: short stacking energy: -58.962
Base-Backbone interact. energy: 0.876
local terms energy: -111.332866
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -28.778
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -6.625
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: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -687.174747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.174747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.174747 (E_RNA)
where:
Base-Base interactions energy: -481.491
where: short stacking energy: -191.093
Base-Backbone interact. energy: 0.372
local terms energy: -206.054915
where:
bonds (distance) C4'-P energy: -35.387
bonds (distance) P-C4' energy: -40.640
flat angles C4'-P-C4' energy: -42.568
flat angles P-C4'-P energy: -33.618
tors. eta vs tors. theta energy: -53.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -642.878418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.878418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.878418 (E_RNA)
where:
Base-Base interactions energy: -438.779
where: short stacking energy: -188.788
Base-Backbone interact. energy: -0.327
local terms energy: -203.771599
where:
bonds (distance) C4'-P energy: -37.424
bonds (distance) P-C4' energy: -34.478
flat angles C4'-P-C4' energy: -45.334
flat angles P-C4'-P energy: -26.605
tors. eta vs tors. theta energy: -59.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -582.552938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.552938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.552938 (E_RNA)
where:
Base-Base interactions energy: -379.107
where: short stacking energy: -191.694
Base-Backbone interact. energy: 0.418
local terms energy: -203.863969
where:
bonds (distance) C4'-P energy: -35.855
bonds (distance) P-C4' energy: -34.767
flat angles C4'-P-C4' energy: -42.720
flat angles P-C4'-P energy: -32.003
tors. eta vs tors. theta energy: -58.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -540.199842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.199842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.199842 (E_RNA)
where:
Base-Base interactions energy: -376.845
where: short stacking energy: -155.937
Base-Backbone interact. energy: -0.020
local terms energy: -163.334514
where:
bonds (distance) C4'-P energy: -29.600
bonds (distance) P-C4' energy: -38.601
flat angles C4'-P-C4' energy: -35.600
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -36.594
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: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -563.076007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.076007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.076007 (E_RNA)
where:
Base-Base interactions energy: -380.171
where: short stacking energy: -174.441
Base-Backbone interact. energy: -0.633
local terms energy: -182.271607
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -31.817
flat angles C4'-P-C4' energy: -45.374
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -51.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -474.684206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.684206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.684206 (E_RNA)
where:
Base-Base interactions energy: -309.420
where: short stacking energy: -141.860
Base-Backbone interact. energy: -0.767
local terms energy: -164.497010
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -30.801
flat angles C4'-P-C4' energy: -42.451
flat angles P-C4'-P energy: -26.101
tors. eta vs tors. theta energy: -37.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -388.426400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.426400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.426400 (E_RNA)
where:
Base-Base interactions energy: -225.731
where: short stacking energy: -109.948
Base-Backbone interact. energy: 0.330
local terms energy: -163.025730
where:
bonds (distance) C4'-P energy: -30.300
bonds (distance) P-C4' energy: -37.971
flat angles C4'-P-C4' energy: -42.033
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: -19.886
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: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -366.207896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.207896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.207896 (E_RNA)
where:
Base-Base interactions energy: -230.350
where: short stacking energy: -106.791
Base-Backbone interact. energy: -0.379
local terms energy: -135.479300
where:
bonds (distance) C4'-P energy: -29.754
bonds (distance) P-C4' energy: -35.053
flat angles C4'-P-C4' energy: -29.675
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -263.595100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.595100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.595100 (E_RNA)
where:
Base-Base interactions energy: -137.154
where: short stacking energy: -77.402
Base-Backbone interact. energy: -0.370
local terms energy: -126.071005
where:
bonds (distance) C4'-P energy: -30.009
bonds (distance) P-C4' energy: -38.125
flat angles C4'-P-C4' energy: -36.233
flat angles P-C4'-P energy: -20.673
tors. eta vs tors. theta energy: -1.032
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: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -193.196755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.196755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.196755 (E_RNA)
where:
Base-Base interactions energy: -93.044
where: short stacking energy: -65.033
Base-Backbone interact. energy: 0.902
local terms energy: -101.054661
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -33.759
flat angles C4'-P-C4' energy: -28.604
flat angles P-C4'-P energy: -2.669
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: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -680.368947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.368947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.368947 (E_RNA)
where:
Base-Base interactions energy: -474.661
where: short stacking energy: -197.280
Base-Backbone interact. energy: -0.200
local terms energy: -205.507740
where:
bonds (distance) C4'-P energy: -34.915
bonds (distance) P-C4' energy: -40.083
flat angles C4'-P-C4' energy: -45.291
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -53.190
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: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -599.799997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.799997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.799997 (E_RNA)
where:
Base-Base interactions energy: -390.888
where: short stacking energy: -192.393
Base-Backbone interact. energy: -0.805
local terms energy: -208.106392
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -42.269
flat angles C4'-P-C4' energy: -41.409
flat angles P-C4'-P energy: -31.978
tors. eta vs tors. theta energy: -58.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -622.992005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.992005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.992005 (E_RNA)
where:
Base-Base interactions energy: -420.883
where: short stacking energy: -175.239
Base-Backbone interact. energy: -0.066
local terms energy: -202.043364
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -41.324
flat angles C4'-P-C4' energy: -41.801
flat angles P-C4'-P energy: -29.361
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: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -564.903252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.903252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.903252 (E_RNA)
where:
Base-Base interactions energy: -374.098
where: short stacking energy: -171.800
Base-Backbone interact. energy: -0.671
local terms energy: -190.134881
where:
bonds (distance) C4'-P energy: -34.666
bonds (distance) P-C4' energy: -37.235
flat angles C4'-P-C4' energy: -38.504
flat angles P-C4'-P energy: -28.187
tors. eta vs tors. theta energy: -51.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -558.207848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.207848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.207848 (E_RNA)
where:
Base-Base interactions energy: -378.043
where: short stacking energy: -160.780
Base-Backbone interact. energy: -0.327
local terms energy: -179.838436
where:
bonds (distance) C4'-P energy: -36.949
bonds (distance) P-C4' energy: -38.077
flat angles C4'-P-C4' energy: -33.796
flat angles P-C4'-P energy: -27.038
tors. eta vs tors. theta energy: -43.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -497.462810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.462810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.462810 (E_RNA)
where:
Base-Base interactions energy: -322.590
where: short stacking energy: -157.989
Base-Backbone interact. energy: -0.451
local terms energy: -174.421809
where:
bonds (distance) C4'-P energy: -37.771
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -39.361
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -43.226
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: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -389.349025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.349025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.349025 (E_RNA)
where:
Base-Base interactions energy: -234.500
where: short stacking energy: -112.130
Base-Backbone interact. energy: -0.951
local terms energy: -153.897945
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -30.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -375.095913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.095913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.095913 (E_RNA)
where:
Base-Base interactions energy: -245.362
where: short stacking energy: -125.748
Base-Backbone interact. energy: 1.448
local terms energy: -131.181864
where:
bonds (distance) C4'-P energy: -23.954
bonds (distance) P-C4' energy: -37.653
flat angles C4'-P-C4' energy: -29.102
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -26.213
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: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -255.690199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.690199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.690199 (E_RNA)
where:
Base-Base interactions energy: -127.992
where: short stacking energy: -69.856
Base-Backbone interact. energy: 1.458
local terms energy: -129.155829
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -40.239
flat angles C4'-P-C4' energy: -36.910
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -174.063678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.063678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.063678 (E_RNA)
where:
Base-Base interactions energy: -69.538
where: short stacking energy: -60.994
Base-Backbone interact. energy: -0.433
local terms energy: -104.092404
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -35.796
flat angles C4'-P-C4' energy: -25.526
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: 0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -678.103747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.103747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.103747 (E_RNA)
where:
Base-Base interactions energy: -469.751
where: short stacking energy: -183.925
Base-Backbone interact. energy: -0.656
local terms energy: -207.696634
where:
bonds (distance) C4'-P energy: -35.064
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -41.210
flat angles P-C4'-P energy: -35.102
tors. eta vs tors. theta energy: -55.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -601.013477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.013477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.013477 (E_RNA)
where:
Base-Base interactions energy: -390.489
where: short stacking energy: -192.340
Base-Backbone interact. energy: -0.123
local terms energy: -210.401301
where:
bonds (distance) C4'-P energy: -48.316
bonds (distance) P-C4' energy: -37.899
flat angles C4'-P-C4' energy: -42.028
flat angles P-C4'-P energy: -26.678
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: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -632.693977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.693977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.693977 (E_RNA)
where:
Base-Base interactions energy: -428.393
where: short stacking energy: -200.730
Base-Backbone interact. energy: -1.222
local terms energy: -203.078719
where:
bonds (distance) C4'-P energy: -33.286
bonds (distance) P-C4' energy: -38.727
flat angles C4'-P-C4' energy: -43.875
flat angles P-C4'-P energy: -26.457
tors. eta vs tors. theta energy: -60.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -581.960723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.960723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.960723 (E_RNA)
where:
Base-Base interactions energy: -394.695
where: short stacking energy: -174.421
Base-Backbone interact. energy: -0.041
local terms energy: -187.225239
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -42.584
flat angles C4'-P-C4' energy: -33.932
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -54.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -553.418382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.418382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.418382 (E_RNA)
where:
Base-Base interactions energy: -371.055
where: short stacking energy: -149.682
Base-Backbone interact. energy: -0.953
local terms energy: -181.410526
where:
bonds (distance) C4'-P energy: -39.304
bonds (distance) P-C4' energy: -40.271
flat angles C4'-P-C4' energy: -37.544
flat angles P-C4'-P energy: -17.411
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: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -489.490122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.490122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.490122 (E_RNA)
where:
Base-Base interactions energy: -317.546
where: short stacking energy: -150.155
Base-Backbone interact. energy: -1.185
local terms energy: -170.758996
where:
bonds (distance) C4'-P energy: -35.517
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -40.936
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -46.260
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: 430
Temperature: 1.200000
Total energy: -400.317916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.317916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.317916 (E_RNA)
where:
Base-Base interactions energy: -255.471
where: short stacking energy: -131.389
Base-Backbone interact. energy: -0.370
local terms energy: -144.477750
where:
bonds (distance) C4'-P energy: -36.554
bonds (distance) P-C4' energy: -37.815
flat angles C4'-P-C4' energy: -25.934
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -31.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -405.072356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.072356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.072356 (E_RNA)
where:
Base-Base interactions energy: -254.378
where: short stacking energy: -106.256
Base-Backbone interact. energy: -0.789
local terms energy: -149.905278
where:
bonds (distance) C4'-P energy: -34.884
bonds (distance) P-C4' energy: -36.976
flat angles C4'-P-C4' energy: -37.767
flat angles P-C4'-P energy: -19.301
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -249.796843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.796843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.796843 (E_RNA)
where:
Base-Base interactions energy: -118.075
where: short stacking energy: -63.207
Base-Backbone interact. energy: -0.477
local terms energy: -131.244709
where:
bonds (distance) C4'-P energy: -33.916
bonds (distance) P-C4' energy: -36.566
flat angles C4'-P-C4' energy: -31.865
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -11.445
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: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -206.616626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.616626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.616626 (E_RNA)
where:
Base-Base interactions energy: -84.027
where: short stacking energy: -57.994
Base-Backbone interact. energy: -0.833
local terms energy: -121.757427
where:
bonds (distance) C4'-P energy: -33.358
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -33.256
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: 1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -676.081861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.081861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.081861 (E_RNA)
where:
Base-Base interactions energy: -482.727
where: short stacking energy: -189.187
Base-Backbone interact. energy: 0.471
local terms energy: -193.825772
where:
bonds (distance) C4'-P energy: -31.869
bonds (distance) P-C4' energy: -36.169
flat angles C4'-P-C4' energy: -42.947
flat angles P-C4'-P energy: -28.345
tors. eta vs tors. theta energy: -54.496
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: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -638.940139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.940139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.940139 (E_RNA)
where:
Base-Base interactions energy: -436.487
where: short stacking energy: -190.565
Base-Backbone interact. energy: -0.165
local terms energy: -202.288099
where:
bonds (distance) C4'-P energy: -40.554
bonds (distance) P-C4' energy: -39.619
flat angles C4'-P-C4' energy: -38.220
flat angles P-C4'-P energy: -28.052
tors. eta vs tors. theta energy: -55.842
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: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -580.730175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.730175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.730175 (E_RNA)
where:
Base-Base interactions energy: -397.006
where: short stacking energy: -190.468
Base-Backbone interact. energy: -0.177
local terms energy: -183.547475
where:
bonds (distance) C4'-P energy: -30.059
bonds (distance) P-C4' energy: -32.466
flat angles C4'-P-C4' energy: -44.515
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -57.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -584.500811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.500811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.500811 (E_RNA)
where:
Base-Base interactions energy: -416.588
where: short stacking energy: -172.821
Base-Backbone interact. energy: 0.033
local terms energy: -167.946123
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -38.121
flat angles P-C4'-P energy: -22.536
tors. eta vs tors. theta energy: -52.580
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: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -531.785470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.785470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.785470 (E_RNA)
where:
Base-Base interactions energy: -345.177
where: short stacking energy: -152.336
Base-Backbone interact. energy: -0.323
local terms energy: -186.285547
where:
bonds (distance) C4'-P energy: -36.190
bonds (distance) P-C4' energy: -39.035
flat angles C4'-P-C4' energy: -41.777
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -43.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -509.057101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.057101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.057101 (E_RNA)
where:
Base-Base interactions energy: -335.024
where: short stacking energy: -173.482
Base-Backbone interact. energy: -0.269
local terms energy: -173.764991
where:
bonds (distance) C4'-P energy: -34.641
bonds (distance) P-C4' energy: -33.663
flat angles C4'-P-C4' energy: -41.853
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -50.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -390.279274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.279274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.279274 (E_RNA)
where:
Base-Base interactions energy: -243.675
where: short stacking energy: -107.661
Base-Backbone interact. energy: -0.688
local terms energy: -145.916803
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -34.638
flat angles C4'-P-C4' energy: -39.638
flat angles P-C4'-P energy: -29.206
tors. eta vs tors. theta energy: -24.583
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: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -379.861849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.861849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.861849 (E_RNA)
where:
Base-Base interactions energy: -227.522
where: short stacking energy: -107.259
Base-Backbone interact. energy: 0.088
local terms energy: -152.427780
where:
bonds (distance) C4'-P energy: -34.504
bonds (distance) P-C4' energy: -40.852
flat angles C4'-P-C4' energy: -26.750
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -26.152
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: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -264.930372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.930372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.930372 (E_RNA)
where:
Base-Base interactions energy: -147.926
where: short stacking energy: -79.166
Base-Backbone interact. energy: -0.400
local terms energy: -116.604511
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -35.324
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -23.299
tors. eta vs tors. theta energy: -7.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -171.270688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.270688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.270688 (E_RNA)
where:
Base-Base interactions energy: -67.210
where: short stacking energy: -54.312
Base-Backbone interact. energy: 1.959
local terms energy: -106.019828
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -37.326
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: 10.544
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: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -679.365316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.365316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.365316 (E_RNA)
where:
Base-Base interactions energy: -487.640
where: short stacking energy: -192.795
Base-Backbone interact. energy: -1.914
local terms energy: -189.811770
where:
bonds (distance) C4'-P energy: -40.699
bonds (distance) P-C4' energy: -36.529
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -24.547
tors. eta vs tors. theta energy: -54.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -652.796537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.796537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.796537 (E_RNA)
where:
Base-Base interactions energy: -438.709
where: short stacking energy: -196.474
Base-Backbone interact. energy: 0.350
local terms energy: -214.437482
where:
bonds (distance) C4'-P energy: -39.732
bonds (distance) P-C4' energy: -40.761
flat angles C4'-P-C4' energy: -44.903
flat angles P-C4'-P energy: -32.392
tors. eta vs tors. theta energy: -56.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -602.439752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.439752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.439752 (E_RNA)
where:
Base-Base interactions energy: -402.102
where: short stacking energy: -163.643
Base-Backbone interact. energy: 1.832
local terms energy: -202.169816
where:
bonds (distance) C4'-P energy: -33.909
bonds (distance) P-C4' energy: -39.439
flat angles C4'-P-C4' energy: -45.445
flat angles P-C4'-P energy: -29.378
tors. eta vs tors. theta energy: -53.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -567.083827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.083827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.083827 (E_RNA)
where:
Base-Base interactions energy: -363.160
where: short stacking energy: -174.379
Base-Backbone interact. energy: -0.377
local terms energy: -203.547266
where:
bonds (distance) C4'-P energy: -37.038
bonds (distance) P-C4' energy: -34.018
flat angles C4'-P-C4' energy: -40.778
flat angles P-C4'-P energy: -37.061
tors. eta vs tors. theta energy: -54.652
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: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -497.938149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.938149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.938149 (E_RNA)
where:
Base-Base interactions energy: -317.985
where: short stacking energy: -148.797
Base-Backbone interact. energy: -0.352
local terms energy: -179.601439
where:
bonds (distance) C4'-P energy: -39.971
bonds (distance) P-C4' energy: -42.848
flat angles C4'-P-C4' energy: -32.648
flat angles P-C4'-P energy: -30.375
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: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -487.596133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.596133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.596133 (E_RNA)
where:
Base-Base interactions energy: -323.825
where: short stacking energy: -147.497
Base-Backbone interact. energy: -0.822
local terms energy: -162.948760
where:
bonds (distance) C4'-P energy: -33.214
bonds (distance) P-C4' energy: -37.482
flat angles C4'-P-C4' energy: -28.680
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -41.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -380.554440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.554440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.554440 (E_RNA)
where:
Base-Base interactions energy: -232.391
where: short stacking energy: -109.580
Base-Backbone interact. energy: -0.199
local terms energy: -147.964038
where:
bonds (distance) C4'-P energy: -37.028
bonds (distance) P-C4' energy: -36.928
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -397.248088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.248088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.248088 (E_RNA)
where:
Base-Base interactions energy: -244.922
where: short stacking energy: -111.914
Base-Backbone interact. energy: -1.121
local terms energy: -151.204703
where:
bonds (distance) C4'-P energy: -33.734
bonds (distance) P-C4' energy: -39.587
flat angles C4'-P-C4' energy: -35.400
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -257.230987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.230987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.230987 (E_RNA)
where:
Base-Base interactions energy: -134.846
where: short stacking energy: -84.875
Base-Backbone interact. energy: -0.689
local terms energy: -121.696433
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -36.224
flat angles C4'-P-C4' energy: -28.307
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -9.734
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: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -186.394734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.394734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.394734 (E_RNA)
where:
Base-Base interactions energy: -72.116
where: short stacking energy: -62.783
Base-Backbone interact. energy: -0.518
local terms energy: -113.760956
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -29.799
flat angles C4'-P-C4' energy: -36.611
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -6.339
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: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -678.586666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.586666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.586666 (E_RNA)
where:
Base-Base interactions energy: -473.412
where: short stacking energy: -187.258
Base-Backbone interact. energy: -0.461
local terms energy: -204.712963
where:
bonds (distance) C4'-P energy: -39.420
bonds (distance) P-C4' energy: -38.857
flat angles C4'-P-C4' energy: -44.033
flat angles P-C4'-P energy: -28.129
tors. eta vs tors. theta energy: -54.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -649.652811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.652811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.652811 (E_RNA)
where:
Base-Base interactions energy: -446.884
where: short stacking energy: -191.771
Base-Backbone interact. energy: -0.189
local terms energy: -202.579489
where:
bonds (distance) C4'-P energy: -34.714
bonds (distance) P-C4' energy: -37.039
flat angles C4'-P-C4' energy: -47.349
flat angles P-C4'-P energy: -27.419
tors. eta vs tors. theta energy: -56.059
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: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -626.299492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.299492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.299492 (E_RNA)
where:
Base-Base interactions energy: -427.363
where: short stacking energy: -185.361
Base-Backbone interact. energy: -0.236
local terms energy: -198.701320
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -37.481
flat angles C4'-P-C4' energy: -39.873
flat angles P-C4'-P energy: -30.382
tors. eta vs tors. theta energy: -53.102
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: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -562.456724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.456724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.456724 (E_RNA)
where:
Base-Base interactions energy: -371.712
where: short stacking energy: -179.805
Base-Backbone interact. energy: -0.062
local terms energy: -190.683197
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -32.696
flat angles C4'-P-C4' energy: -43.238
flat angles P-C4'-P energy: -28.330
tors. eta vs tors. theta energy: -52.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -501.817588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.817588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.817588 (E_RNA)
where:
Base-Base interactions energy: -314.766
where: short stacking energy: -158.947
Base-Backbone interact. energy: -0.302
local terms energy: -186.750261
where:
bonds (distance) C4'-P energy: -33.688
bonds (distance) P-C4' energy: -37.962
flat angles C4'-P-C4' energy: -45.894
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -49.471
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: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -486.261165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.261165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.261165 (E_RNA)
where:
Base-Base interactions energy: -328.180
where: short stacking energy: -139.529
Base-Backbone interact. energy: -0.224
local terms energy: -157.857763
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -40.230
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -36.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -375.037767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.037767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.037767 (E_RNA)
where:
Base-Base interactions energy: -221.985
where: short stacking energy: -105.390
Base-Backbone interact. energy: -0.479
local terms energy: -152.573682
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -42.058
flat angles C4'-P-C4' energy: -41.373
flat angles P-C4'-P energy: -22.014
tors. eta vs tors. theta energy: -16.295
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: 2
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -344.493783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.493783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.493783 (E_RNA)
where:
Base-Base interactions energy: -209.442
where: short stacking energy: -98.748
Base-Backbone interact. energy: -0.792
local terms energy: -134.260133
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -37.726
flat angles C4'-P-C4' energy: -29.711
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -266.534959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.534959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.534959 (E_RNA)
where:
Base-Base interactions energy: -131.655
where: short stacking energy: -71.766
Base-Backbone interact. energy: 0.505
local terms energy: -135.384652
where:
bonds (distance) C4'-P energy: -41.292
bonds (distance) P-C4' energy: -40.683
flat angles C4'-P-C4' energy: -27.929
flat angles P-C4'-P energy: -19.238
tors. eta vs tors. theta energy: -6.244
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: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -180.370732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.370732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.370732 (E_RNA)
where:
Base-Base interactions energy: -71.998
where: short stacking energy: -64.477
Base-Backbone interact. energy: -0.608
local terms energy: -107.765665
where:
bonds (distance) C4'-P energy: -37.103
bonds (distance) P-C4' energy: -30.417
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: 0.476
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: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -659.714813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.714813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.714813 (E_RNA)
where:
Base-Base interactions energy: -454.286
where: short stacking energy: -192.955
Base-Backbone interact. energy: -0.361
local terms energy: -205.068103
where:
bonds (distance) C4'-P energy: -37.452
bonds (distance) P-C4' energy: -44.394
flat angles C4'-P-C4' energy: -38.004
flat angles P-C4'-P energy: -26.529
tors. eta vs tors. theta energy: -58.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -653.998462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.998462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.998462 (E_RNA)
where:
Base-Base interactions energy: -461.379
where: short stacking energy: -187.642
Base-Backbone interact. energy: -1.024
local terms energy: -191.594787
where:
bonds (distance) C4'-P energy: -34.228
bonds (distance) P-C4' energy: -39.999
flat angles C4'-P-C4' energy: -39.791
flat angles P-C4'-P energy: -30.442
tors. eta vs tors. theta energy: -47.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -584.837653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.837653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.837653 (E_RNA)
where:
Base-Base interactions energy: -375.750
where: short stacking energy: -167.662
Base-Backbone interact. energy: -0.430
local terms energy: -208.658161
where:
bonds (distance) C4'-P energy: -40.285
bonds (distance) P-C4' energy: -38.280
flat angles C4'-P-C4' energy: -47.048
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -55.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -592.558271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.558271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.558271 (E_RNA)
where:
Base-Base interactions energy: -398.285
where: short stacking energy: -190.276
Base-Backbone interact. energy: -0.845
local terms energy: -193.428339
where:
bonds (distance) C4'-P energy: -35.001
bonds (distance) P-C4' energy: -36.046
flat angles C4'-P-C4' energy: -42.893
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -57.158
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: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -525.192619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.192619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.192619 (E_RNA)
where:
Base-Base interactions energy: -348.722
where: short stacking energy: -151.044
Base-Backbone interact. energy: -0.618
local terms energy: -175.852257
where:
bonds (distance) C4'-P energy: -33.313
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -37.910
flat angles P-C4'-P energy: -29.673
tors. eta vs tors. theta energy: -39.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -509.856810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.856810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.856810 (E_RNA)
where:
Base-Base interactions energy: -328.447
where: short stacking energy: -168.591
Base-Backbone interact. energy: -0.196
local terms energy: -181.213981
where:
bonds (distance) C4'-P energy: -40.699
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -31.717
flat angles P-C4'-P energy: -27.184
tors. eta vs tors. theta energy: -39.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -408.042098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.042098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.042098 (E_RNA)
where:
Base-Base interactions energy: -250.955
where: short stacking energy: -127.188
Base-Backbone interact. energy: 0.084
local terms energy: -157.171288
where:
bonds (distance) C4'-P energy: -38.426
bonds (distance) P-C4' energy: -34.893
flat angles C4'-P-C4' energy: -36.542
flat angles P-C4'-P energy: -21.381
tors. eta vs tors. theta energy: -25.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -348.229304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.229304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.229304 (E_RNA)
where:
Base-Base interactions energy: -218.801
where: short stacking energy: -98.008
Base-Backbone interact. energy: -0.469
local terms energy: -128.959646
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -255.802960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.802960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.802960 (E_RNA)
where:
Base-Base interactions energy: -142.875
where: short stacking energy: -61.794
Base-Backbone interact. energy: -1.804
local terms energy: -111.124722
where:
bonds (distance) C4'-P energy: -30.622
bonds (distance) P-C4' energy: -37.703
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -185.133159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.133159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.133159 (E_RNA)
where:
Base-Base interactions energy: -59.048
where: short stacking energy: -57.856
Base-Backbone interact. energy: -0.400
local terms energy: -125.685137
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -38.330
flat angles C4'-P-C4' energy: -33.330
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -2.173
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: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -666.479667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.479667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.479667 (E_RNA)
where:
Base-Base interactions energy: -464.834
where: short stacking energy: -204.048
Base-Backbone interact. energy: 2.984
local terms energy: -204.629788
where:
bonds (distance) C4'-P energy: -38.805
bonds (distance) P-C4' energy: -37.200
flat angles C4'-P-C4' energy: -39.674
flat angles P-C4'-P energy: -30.213
tors. eta vs tors. theta energy: -58.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -660.857219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.857219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.857219 (E_RNA)
where:
Base-Base interactions energy: -484.510
where: short stacking energy: -189.283
Base-Backbone interact. energy: -0.755
local terms energy: -175.592741
where:
bonds (distance) C4'-P energy: -34.265
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -35.656
flat angles P-C4'-P energy: -27.054
tors. eta vs tors. theta energy: -47.423
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: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -572.843106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.843106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.843106 (E_RNA)
where:
Base-Base interactions energy: -374.978
where: short stacking energy: -181.909
Base-Backbone interact. energy: -0.596
local terms energy: -197.269155
where:
bonds (distance) C4'-P energy: -33.119
bonds (distance) P-C4' energy: -40.732
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -28.010
tors. eta vs tors. theta energy: -59.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -573.295200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.295200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.295200 (E_RNA)
where:
Base-Base interactions energy: -387.643
where: short stacking energy: -170.089
Base-Backbone interact. energy: -1.288
local terms energy: -184.364681
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -39.412
flat angles C4'-P-C4' energy: -30.047
flat angles P-C4'-P energy: -29.776
tors. eta vs tors. theta energy: -55.605
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: 5, replica: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -529.146036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.146036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.146036 (E_RNA)
where:
Base-Base interactions energy: -354.883
where: short stacking energy: -166.806
Base-Backbone interact. energy: -0.131
local terms energy: -174.132220
where:
bonds (distance) C4'-P energy: -41.804
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -34.276
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -41.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -481.631212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.631212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.631212 (E_RNA)
where:
Base-Base interactions energy: -315.344
where: short stacking energy: -144.299
Base-Backbone interact. energy: -0.272
local terms energy: -166.015166
where:
bonds (distance) C4'-P energy: -36.398
bonds (distance) P-C4' energy: -35.233
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -26.913
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: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -406.195148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.195148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.195148 (E_RNA)
where:
Base-Base interactions energy: -261.315
where: short stacking energy: -119.955
Base-Backbone interact. energy: -1.230
local terms energy: -143.649802
where:
bonds (distance) C4'-P energy: -25.109
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -37.478
flat angles P-C4'-P energy: -23.800
tors. eta vs tors. theta energy: -26.509
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: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -390.228156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.228156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.228156 (E_RNA)
where:
Base-Base interactions energy: -252.698
where: short stacking energy: -113.671
Base-Backbone interact. energy: -0.923
local terms energy: -136.607035
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -35.556
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -21.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -276.518936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.518936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.518936 (E_RNA)
where:
Base-Base interactions energy: -140.486
where: short stacking energy: -78.354
Base-Backbone interact. energy: -0.358
local terms energy: -135.675594
where:
bonds (distance) C4'-P energy: -36.101
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -35.356
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -8.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -170.119177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.119177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.119177 (E_RNA)
where:
Base-Base interactions energy: -61.862
where: short stacking energy: -54.291
Base-Backbone interact. energy: -0.855
local terms energy: -107.401762
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -36.268
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -19.919
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: 436
Temperature: 0.900000
Total energy: -670.746747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.746747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.746747 (E_RNA)
where:
Base-Base interactions energy: -448.737
where: short stacking energy: -196.350
Base-Backbone interact. energy: -1.293
local terms energy: -220.716680
where:
bonds (distance) C4'-P energy: -44.238
bonds (distance) P-C4' energy: -35.155
flat angles C4'-P-C4' energy: -46.972
flat angles P-C4'-P energy: -33.097
tors. eta vs tors. theta energy: -61.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -653.014359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.014359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.014359 (E_RNA)
where:
Base-Base interactions energy: -457.653
where: short stacking energy: -188.537
Base-Backbone interact. energy: 0.306
local terms energy: -195.668122
where:
bonds (distance) C4'-P energy: -33.851
bonds (distance) P-C4' energy: -38.142
flat angles C4'-P-C4' energy: -38.478
flat angles P-C4'-P energy: -32.779
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: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -605.701115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.701115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.701115 (E_RNA)
where:
Base-Base interactions energy: -407.731
where: short stacking energy: -170.357
Base-Backbone interact. energy: -0.858
local terms energy: -197.112066
where:
bonds (distance) C4'-P energy: -40.172
bonds (distance) P-C4' energy: -30.398
flat angles C4'-P-C4' energy: -38.781
flat angles P-C4'-P energy: -30.896
tors. eta vs tors. theta energy: -56.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -573.944920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.944920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.944920 (E_RNA)
where:
Base-Base interactions energy: -387.448
where: short stacking energy: -190.075
Base-Backbone interact. energy: 0.033
local terms energy: -186.529306
where:
bonds (distance) C4'-P energy: -37.581
bonds (distance) P-C4' energy: -33.631
flat angles C4'-P-C4' energy: -41.360
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -54.658
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: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -518.821851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.821851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.821851 (E_RNA)
where:
Base-Base interactions energy: -356.495
where: short stacking energy: -157.953
Base-Backbone interact. energy: -0.556
local terms energy: -161.770930
where:
bonds (distance) C4'-P energy: -35.002
bonds (distance) P-C4' energy: -29.236
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -26.461
tors. eta vs tors. theta energy: -39.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -490.428273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.428273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.428273 (E_RNA)
where:
Base-Base interactions energy: -317.712
where: short stacking energy: -151.854
Base-Backbone interact. energy: -0.963
local terms energy: -171.752813
where:
bonds (distance) C4'-P energy: -26.510
bonds (distance) P-C4' energy: -36.146
flat angles C4'-P-C4' energy: -41.829
flat angles P-C4'-P energy: -28.977
tors. eta vs tors. theta energy: -38.291
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: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -425.511194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.511194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.511194 (E_RNA)
where:
Base-Base interactions energy: -282.316
where: short stacking energy: -132.201
Base-Backbone interact. energy: 0.862
local terms energy: -144.057723
where:
bonds (distance) C4'-P energy: -37.183
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -36.453
flat angles P-C4'-P energy: -22.726
tors. eta vs tors. theta energy: -26.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -396.472975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.472975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.472975 (E_RNA)
where:
Base-Base interactions energy: -255.524
where: short stacking energy: -103.078
Base-Backbone interact. energy: -0.681
local terms energy: -140.267947
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -42.268
flat angles C4'-P-C4' energy: -36.847
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -254.381047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.381047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.381047 (E_RNA)
where:
Base-Base interactions energy: -140.342
where: short stacking energy: -85.339
Base-Backbone interact. energy: -0.054
local terms energy: -113.985197
where:
bonds (distance) C4'-P energy: -31.932
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -22.805
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -182.888322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.888322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.888322 (E_RNA)
where:
Base-Base interactions energy: -68.598
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.865
local terms energy: -113.425323
where:
bonds (distance) C4'-P energy: -35.561
bonds (distance) P-C4' energy: -30.522
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -668.880725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.880725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.880725 (E_RNA)
where:
Base-Base interactions energy: -458.099
where: short stacking energy: -201.661
Base-Backbone interact. energy: -0.258
local terms energy: -210.523477
where:
bonds (distance) C4'-P energy: -39.900
bonds (distance) P-C4' energy: -30.861
flat angles C4'-P-C4' energy: -45.393
flat angles P-C4'-P energy: -34.310
tors. eta vs tors. theta energy: -60.059
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: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -608.169222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.169222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.169222 (E_RNA)
where:
Base-Base interactions energy: -403.640
where: short stacking energy: -185.173
Base-Backbone interact. energy: -0.856
local terms energy: -203.673886
where:
bonds (distance) C4'-P energy: -41.517
bonds (distance) P-C4' energy: -36.311
flat angles C4'-P-C4' energy: -42.169
flat angles P-C4'-P energy: -30.746
tors. eta vs tors. theta energy: -52.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -643.450608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.450608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.450608 (E_RNA)
where:
Base-Base interactions energy: -440.882
where: short stacking energy: -182.143
Base-Backbone interact. energy: -0.719
local terms energy: -201.850480
where:
bonds (distance) C4'-P energy: -39.970
bonds (distance) P-C4' energy: -40.025
flat angles C4'-P-C4' energy: -40.545
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -52.160
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: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -571.073739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.073739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.073739 (E_RNA)
where:
Base-Base interactions energy: -367.616
where: short stacking energy: -179.771
Base-Backbone interact. energy: -0.210
local terms energy: -203.247180
where:
bonds (distance) C4'-P energy: -39.136
bonds (distance) P-C4' energy: -40.930
flat angles C4'-P-C4' energy: -43.695
flat angles P-C4'-P energy: -25.855
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: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -536.512943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.512943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.512943 (E_RNA)
where:
Base-Base interactions energy: -356.476
where: short stacking energy: -158.112
Base-Backbone interact. energy: -0.450
local terms energy: -179.586437
where:
bonds (distance) C4'-P energy: -26.508
bonds (distance) P-C4' energy: -42.213
flat angles C4'-P-C4' energy: -43.516
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -46.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -471.493505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.493505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.493505 (E_RNA)
where:
Base-Base interactions energy: -314.747
where: short stacking energy: -149.488
Base-Backbone interact. energy: -0.364
local terms energy: -156.383029
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -34.463
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -32.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -416.738157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.738157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.738157 (E_RNA)
where:
Base-Base interactions energy: -262.310
where: short stacking energy: -122.469
Base-Backbone interact. energy: -0.690
local terms energy: -153.737911
where:
bonds (distance) C4'-P energy: -35.255
bonds (distance) P-C4' energy: -42.799
flat angles C4'-P-C4' energy: -33.406
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -311.790299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.790299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.790299 (E_RNA)
where:
Base-Base interactions energy: -191.857
where: short stacking energy: -93.849
Base-Backbone interact. energy: -1.713
local terms energy: -118.219814
where:
bonds (distance) C4'-P energy: -34.075
bonds (distance) P-C4' energy: -29.054
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -14.793
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: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -368.642200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.642200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.642200 (E_RNA)
where:
Base-Base interactions energy: -223.703
where: short stacking energy: -102.633
Base-Backbone interact. energy: -1.166
local terms energy: -143.773697
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -32.969
flat angles C4'-P-C4' energy: -31.894
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -21.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -213.162635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.162635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.162635 (E_RNA)
where:
Base-Base interactions energy: -106.690
where: short stacking energy: -78.470
Base-Backbone interact. energy: 4.627
local terms energy: -111.100162
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -28.943
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -678.139748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.139748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.139748 (E_RNA)
where:
Base-Base interactions energy: -469.257
where: short stacking energy: -203.722
Base-Backbone interact. energy: -0.401
local terms energy: -208.481462
where:
bonds (distance) C4'-P energy: -36.459
bonds (distance) P-C4' energy: -38.810
flat angles C4'-P-C4' energy: -43.354
flat angles P-C4'-P energy: -27.975
tors. eta vs tors. theta energy: -61.884
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: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -606.559881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.559881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.559881 (E_RNA)
where:
Base-Base interactions energy: -398.771
where: short stacking energy: -183.777
Base-Backbone interact. energy: 0.525
local terms energy: -208.314363
where:
bonds (distance) C4'-P energy: -37.779
bonds (distance) P-C4' energy: -42.620
flat angles C4'-P-C4' energy: -38.419
flat angles P-C4'-P energy: -29.751
tors. eta vs tors. theta energy: -59.745
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: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -627.487280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.487280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.487280 (E_RNA)
where:
Base-Base interactions energy: -440.322
where: short stacking energy: -185.918
Base-Backbone interact. energy: -1.056
local terms energy: -186.109383
where:
bonds (distance) C4'-P energy: -32.320
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -39.971
flat angles P-C4'-P energy: -23.354
tors. eta vs tors. theta energy: -56.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -576.518343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.518343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.518343 (E_RNA)
where:
Base-Base interactions energy: -391.751
where: short stacking energy: -190.198
Base-Backbone interact. energy: -0.126
local terms energy: -184.642145
where:
bonds (distance) C4'-P energy: -32.865
bonds (distance) P-C4' energy: -36.639
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -57.751
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: 438
Temperature: 1.100000
Total energy: -565.633739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.633739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.633739 (E_RNA)
where:
Base-Base interactions energy: -387.013
where: short stacking energy: -165.784
Base-Backbone interact. energy: -0.123
local terms energy: -178.498277
where:
bonds (distance) C4'-P energy: -36.965
bonds (distance) P-C4' energy: -35.721
flat angles C4'-P-C4' energy: -37.655
flat angles P-C4'-P energy: -22.808
tors. eta vs tors. theta energy: -45.350
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: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -463.885199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.885199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.885199 (E_RNA)
where:
Base-Base interactions energy: -296.055
where: short stacking energy: -133.041
Base-Backbone interact. energy: -1.011
local terms energy: -166.819205
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -41.027
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -34.930
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: 438
Temperature: 1.200000
Total energy: -417.250409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.250409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.250409 (E_RNA)
where:
Base-Base interactions energy: -264.671
where: short stacking energy: -124.624
Base-Backbone interact. energy: -1.098
local terms energy: -151.481171
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -37.288
flat angles C4'-P-C4' energy: -35.211
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -28.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -316.979717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.979717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.979717 (E_RNA)
where:
Base-Base interactions energy: -187.845
where: short stacking energy: -106.932
Base-Backbone interact. energy: -0.782
local terms energy: -128.352566
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -34.647
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -13.820
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: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -372.960613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.960613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.960613 (E_RNA)
where:
Base-Base interactions energy: -233.643
where: short stacking energy: -121.391
Base-Backbone interact. energy: -0.254
local terms energy: -139.063659
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -35.147
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -26.049
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: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -162.018428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.018428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.018428 (E_RNA)
where:
Base-Base interactions energy: -56.186
where: short stacking energy: -49.633
Base-Backbone interact. energy: -0.297
local terms energy: -105.535671
where:
bonds (distance) C4'-P energy: -34.658
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -27.474
flat angles P-C4'-P energy: -19.334
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: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -667.799210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.799210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.799210 (E_RNA)
where:
Base-Base interactions energy: -458.209
where: short stacking energy: -201.282
Base-Backbone interact. energy: -0.580
local terms energy: -209.010197
where:
bonds (distance) C4'-P energy: -39.275
bonds (distance) P-C4' energy: -37.927
flat angles C4'-P-C4' energy: -39.695
flat angles P-C4'-P energy: -28.512
tors. eta vs tors. theta energy: -63.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -654.612639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.612639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.612639 (E_RNA)
where:
Base-Base interactions energy: -452.835
where: short stacking energy: -177.189
Base-Backbone interact. energy: -1.529
local terms energy: -200.248444
where:
bonds (distance) C4'-P energy: -40.284
bonds (distance) P-C4' energy: -34.086
flat angles C4'-P-C4' energy: -43.615
flat angles P-C4'-P energy: -33.196
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: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -593.140988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.140988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.140988 (E_RNA)
where:
Base-Base interactions energy: -406.694
where: short stacking energy: -184.804
Base-Backbone interact. energy: -0.604
local terms energy: -185.843051
where:
bonds (distance) C4'-P energy: -33.520
bonds (distance) P-C4' energy: -43.839
flat angles C4'-P-C4' energy: -39.795
flat angles P-C4'-P energy: -25.313
tors. eta vs tors. theta energy: -43.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -576.270820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.270820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.270820 (E_RNA)
where:
Base-Base interactions energy: -379.089
where: short stacking energy: -183.773
Base-Backbone interact. energy: -1.082
local terms energy: -196.099668
where:
bonds (distance) C4'-P energy: -33.151
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -45.113
flat angles P-C4'-P energy: -32.701
tors. eta vs tors. theta energy: -53.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -545.730507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.730507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.730507 (E_RNA)
where:
Base-Base interactions energy: -374.299
where: short stacking energy: -153.541
Base-Backbone interact. energy: -0.829
local terms energy: -170.602418
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -39.051
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: -36.823
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: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -502.364744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.364744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.364744 (E_RNA)
where:
Base-Base interactions energy: -315.128
where: short stacking energy: -138.580
Base-Backbone interact. energy: -0.620
local terms energy: -186.616869
where:
bonds (distance) C4'-P energy: -41.775
bonds (distance) P-C4' energy: -39.518
flat angles C4'-P-C4' energy: -39.151
flat angles P-C4'-P energy: -29.987
tors. eta vs tors. theta energy: -36.186
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: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -415.005811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.005811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.005811 (E_RNA)
where:
Base-Base interactions energy: -263.361
where: short stacking energy: -117.985
Base-Backbone interact. energy: -0.809
local terms energy: -150.836209
where:
bonds (distance) C4'-P energy: -34.974
bonds (distance) P-C4' energy: -33.635
flat angles C4'-P-C4' energy: -34.616
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: -23.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -415.640980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.640980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.640980 (E_RNA)
where:
Base-Base interactions energy: -266.867
where: short stacking energy: -129.061
Base-Backbone interact. energy: 0.313
local terms energy: -149.086286
where:
bonds (distance) C4'-P energy: -36.541
bonds (distance) P-C4' energy: -36.531
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -34.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -294.227008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.227008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.227008 (E_RNA)
where:
Base-Base interactions energy: -161.448
where: short stacking energy: -72.082
Base-Backbone interact. energy: 0.312
local terms energy: -133.090798
where:
bonds (distance) C4'-P energy: -28.200
bonds (distance) P-C4' energy: -33.168
flat angles C4'-P-C4' energy: -35.204
flat angles P-C4'-P energy: -30.550
tors. eta vs tors. theta energy: -5.969
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: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -208.541354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.541354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.541354 (E_RNA)
where:
Base-Base interactions energy: -77.120
where: short stacking energy: -71.069
Base-Backbone interact. energy: -0.459
local terms energy: -130.962890
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -38.047
flat angles C4'-P-C4' energy: -34.076
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -653.773205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.773205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.773205 (E_RNA)
where:
Base-Base interactions energy: -436.615
where: short stacking energy: -194.114
Base-Backbone interact. energy: 0.069
local terms energy: -217.227589
where:
bonds (distance) C4'-P energy: -40.434
bonds (distance) P-C4' energy: -41.747
flat angles C4'-P-C4' energy: -45.654
flat angles P-C4'-P energy: -25.580
tors. eta vs tors. theta energy: -63.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -660.495914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.495914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.495914 (E_RNA)
where:
Base-Base interactions energy: -458.176
where: short stacking energy: -201.632
Base-Backbone interact. energy: -0.615
local terms energy: -201.704966
where:
bonds (distance) C4'-P energy: -35.680
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -46.624
flat angles P-C4'-P energy: -30.927
tors. eta vs tors. theta energy: -54.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -596.680099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.680099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.680099 (E_RNA)
where:
Base-Base interactions energy: -410.109
where: short stacking energy: -185.405
Base-Backbone interact. energy: 1.281
local terms energy: -187.851979
where:
bonds (distance) C4'-P energy: -30.984
bonds (distance) P-C4' energy: -29.952
flat angles C4'-P-C4' energy: -40.763
flat angles P-C4'-P energy: -34.067
tors. eta vs tors. theta energy: -52.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -572.128954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.128954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.128954 (E_RNA)
where:
Base-Base interactions energy: -388.883
where: short stacking energy: -178.712
Base-Backbone interact. energy: -0.757
local terms energy: -182.488701
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -38.942
flat angles C4'-P-C4' energy: -38.116
flat angles P-C4'-P energy: -31.338
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: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -564.031495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.031495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.031495 (E_RNA)
where:
Base-Base interactions energy: -388.211
where: short stacking energy: -186.838
Base-Backbone interact. energy: -0.721
local terms energy: -175.100340
where:
bonds (distance) C4'-P energy: -36.049
bonds (distance) P-C4' energy: -29.559
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -21.072
tors. eta vs tors. theta energy: -49.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -480.501315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.501315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.501315 (E_RNA)
where:
Base-Base interactions energy: -337.342
where: short stacking energy: -137.352
Base-Backbone interact. energy: -0.215
local terms energy: -142.944259
where:
bonds (distance) C4'-P energy: -31.819
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -32.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -423.987360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.987360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.987360 (E_RNA)
where:
Base-Base interactions energy: -273.426
where: short stacking energy: -123.887
Base-Backbone interact. energy: -0.719
local terms energy: -149.842947
where:
bonds (distance) C4'-P energy: -30.607
bonds (distance) P-C4' energy: -31.015
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -35.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -412.791041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.791041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.791041 (E_RNA)
where:
Base-Base interactions energy: -249.621
where: short stacking energy: -119.117
Base-Backbone interact. energy: -1.423
local terms energy: -161.747073
where:
bonds (distance) C4'-P energy: -31.296
bonds (distance) P-C4' energy: -30.985
flat angles C4'-P-C4' energy: -38.744
flat angles P-C4'-P energy: -32.489
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: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -271.339031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.339031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.339031 (E_RNA)
where:
Base-Base interactions energy: -144.393
where: short stacking energy: -71.750
Base-Backbone interact. energy: -1.798
local terms energy: -125.147928
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -39.864
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -9.495
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: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -174.663649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.663649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.663649 (E_RNA)
where:
Base-Base interactions energy: -57.023
where: short stacking energy: -46.541
Base-Backbone interact. energy: 5.235
local terms energy: -122.875507
where:
bonds (distance) C4'-P energy: -36.687
bonds (distance) P-C4' energy: -37.422
flat angles C4'-P-C4' energy: -32.819
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: 6.092
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: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -659.851667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.851667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.851667 (E_RNA)
where:
Base-Base interactions energy: -453.760
where: short stacking energy: -203.606
Base-Backbone interact. energy: -0.207
local terms energy: -205.885050
where:
bonds (distance) C4'-P energy: -39.189
bonds (distance) P-C4' energy: -41.087
flat angles C4'-P-C4' energy: -43.837
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -58.963
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: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -651.607213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.607213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.607213 (E_RNA)
where:
Base-Base interactions energy: -452.809
where: short stacking energy: -193.364
Base-Backbone interact. energy: -1.394
local terms energy: -197.403928
where:
bonds (distance) C4'-P energy: -39.117
bonds (distance) P-C4' energy: -37.972
flat angles C4'-P-C4' energy: -40.132
flat angles P-C4'-P energy: -24.042
tors. eta vs tors. theta energy: -56.142
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: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -609.998478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.998478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.998478 (E_RNA)
where:
Base-Base interactions energy: -414.074
where: short stacking energy: -190.583
Base-Backbone interact. energy: -0.285
local terms energy: -195.639091
where:
bonds (distance) C4'-P energy: -30.500
bonds (distance) P-C4' energy: -38.987
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: -56.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -580.466852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.466852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.466852 (E_RNA)
where:
Base-Base interactions energy: -397.278
where: short stacking energy: -168.572
Base-Backbone interact. energy: -0.635
local terms energy: -182.553718
where:
bonds (distance) C4'-P energy: -32.803
bonds (distance) P-C4' energy: -39.005
flat angles C4'-P-C4' energy: -40.575
flat angles P-C4'-P energy: -22.038
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: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -573.887336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.887336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.887336 (E_RNA)
where:
Base-Base interactions energy: -380.603
where: short stacking energy: -173.173
Base-Backbone interact. energy: -0.200
local terms energy: -193.084651
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -42.071
flat angles C4'-P-C4' energy: -40.638
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: -49.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -448.567887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.567887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.567887 (E_RNA)
where:
Base-Base interactions energy: -269.557
where: short stacking energy: -121.109
Base-Backbone interact. energy: -0.677
local terms energy: -178.334806
where:
bonds (distance) C4'-P energy: -36.983
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -45.673
flat angles P-C4'-P energy: -31.568
tors. eta vs tors. theta energy: -26.787
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: 441
Temperature: 1.200000
Total energy: -472.717534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.717534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.717534 (E_RNA)
where:
Base-Base interactions energy: -304.619
where: short stacking energy: -134.278
Base-Backbone interact. energy: -0.925
local terms energy: -167.173467
where:
bonds (distance) C4'-P energy: -37.266
bonds (distance) P-C4' energy: -40.947
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -31.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -397.110002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.110002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.110002 (E_RNA)
where:
Base-Base interactions energy: -260.913
where: short stacking energy: -114.423
Base-Backbone interact. energy: -0.505
local terms energy: -135.692683
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -33.541
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -25.479
tors. eta vs tors. theta energy: -13.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -277.643336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.643336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.643336 (E_RNA)
where:
Base-Base interactions energy: -146.085
where: short stacking energy: -82.486
Base-Backbone interact. energy: 1.642
local terms energy: -133.201048
where:
bonds (distance) C4'-P energy: -30.696
bonds (distance) P-C4' energy: -35.457
flat angles C4'-P-C4' energy: -26.774
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -19.548
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: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -171.790197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.790197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.790197 (E_RNA)
where:
Base-Base interactions energy: -66.464
where: short stacking energy: -46.377
Base-Backbone interact. energy: 1.562
local terms energy: -106.888251
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -666.266841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.266841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.266841 (E_RNA)
where:
Base-Base interactions energy: -461.416
where: short stacking energy: -192.352
Base-Backbone interact. energy: -0.642
local terms energy: -204.208688
where:
bonds (distance) C4'-P energy: -44.400
bonds (distance) P-C4' energy: -37.174
flat angles C4'-P-C4' energy: -42.260
flat angles P-C4'-P energy: -23.199
tors. eta vs tors. theta energy: -57.174
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: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -648.738057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.738057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.738057 (E_RNA)
where:
Base-Base interactions energy: -455.599
where: short stacking energy: -178.257
Base-Backbone interact. energy: -0.886
local terms energy: -192.252740
where:
bonds (distance) C4'-P energy: -35.660
bonds (distance) P-C4' energy: -38.036
flat angles C4'-P-C4' energy: -41.260
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -48.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -596.228497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.228497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.228497 (E_RNA)
where:
Base-Base interactions energy: -413.521
where: short stacking energy: -186.517
Base-Backbone interact. energy: -1.309
local terms energy: -181.397673
where:
bonds (distance) C4'-P energy: -33.000
bonds (distance) P-C4' energy: -36.696
flat angles C4'-P-C4' energy: -40.238
flat angles P-C4'-P energy: -23.212
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: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -592.610250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.610250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.610250 (E_RNA)
where:
Base-Base interactions energy: -402.124
where: short stacking energy: -184.636
Base-Backbone interact. energy: -0.153
local terms energy: -190.333849
where:
bonds (distance) C4'-P energy: -29.166
bonds (distance) P-C4' energy: -38.454
flat angles C4'-P-C4' energy: -43.724
flat angles P-C4'-P energy: -26.859
tors. eta vs tors. theta energy: -52.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -537.772558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.772558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.772558 (E_RNA)
where:
Base-Base interactions energy: -350.985
where: short stacking energy: -158.586
Base-Backbone interact. energy: -0.374
local terms energy: -186.413311
where:
bonds (distance) C4'-P energy: -33.197
bonds (distance) P-C4' energy: -30.096
flat angles C4'-P-C4' energy: -42.681
flat angles P-C4'-P energy: -29.998
tors. eta vs tors. theta energy: -50.440
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: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -407.018174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.018174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.018174 (E_RNA)
where:
Base-Base interactions energy: -259.851
where: short stacking energy: -124.513
Base-Backbone interact. energy: -0.726
local terms energy: -146.441438
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -34.686
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -25.968
tors. eta vs tors. theta energy: -20.336
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: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -448.637324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.637324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.637324 (E_RNA)
where:
Base-Base interactions energy: -281.758
where: short stacking energy: -115.296
Base-Backbone interact. energy: -1.064
local terms energy: -165.814560
where:
bonds (distance) C4'-P energy: -42.773
bonds (distance) P-C4' energy: -37.615
flat angles C4'-P-C4' energy: -31.207
flat angles P-C4'-P energy: -31.936
tors. eta vs tors. theta energy: -22.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -376.239923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.239923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.239923 (E_RNA)
where:
Base-Base interactions energy: -232.807
where: short stacking energy: -101.914
Base-Backbone interact. energy: -0.874
local terms energy: -142.558675
where:
bonds (distance) C4'-P energy: -37.813
bonds (distance) P-C4' energy: -38.227
flat angles C4'-P-C4' energy: -33.733
flat angles P-C4'-P energy: -19.284
tors. eta vs tors. theta energy: -13.502
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: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -250.923367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.923367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.923367 (E_RNA)
where:
Base-Base interactions energy: -141.645
where: short stacking energy: -83.254
Base-Backbone interact. energy: -0.013
local terms energy: -109.265376
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -33.125
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -290.133724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.133724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.133724 (E_RNA)
where:
Base-Base interactions energy: -170.649
where: short stacking energy: -79.998
Base-Backbone interact. energy: 2.899
local terms energy: -122.383471
where:
bonds (distance) C4'-P energy: -24.723
bonds (distance) P-C4' energy: -33.975
flat angles C4'-P-C4' energy: -33.481
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -659.021236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.021236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.021236 (E_RNA)
where:
Base-Base interactions energy: -452.307
where: short stacking energy: -188.403
Base-Backbone interact. energy: -0.298
local terms energy: -206.416318
where:
bonds (distance) C4'-P energy: -36.766
bonds (distance) P-C4' energy: -41.709
flat angles C4'-P-C4' energy: -40.969
flat angles P-C4'-P energy: -31.485
tors. eta vs tors. theta energy: -55.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -644.363246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.363246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.363246 (E_RNA)
where:
Base-Base interactions energy: -441.442
where: short stacking energy: -186.417
Base-Backbone interact. energy: -1.415
local terms energy: -201.505392
where:
bonds (distance) C4'-P energy: -38.739
bonds (distance) P-C4' energy: -36.085
flat angles C4'-P-C4' energy: -42.497
flat angles P-C4'-P energy: -29.828
tors. eta vs tors. theta energy: -54.356
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: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -613.746696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.746696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.746696 (E_RNA)
where:
Base-Base interactions energy: -420.961
where: short stacking energy: -190.423
Base-Backbone interact. energy: -0.161
local terms energy: -192.624563
where:
bonds (distance) C4'-P energy: -32.857
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -46.380
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -59.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -599.088386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.088386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.088386 (E_RNA)
where:
Base-Base interactions energy: -401.945
where: short stacking energy: -169.917
Base-Backbone interact. energy: -1.315
local terms energy: -195.828251
where:
bonds (distance) C4'-P energy: -39.614
bonds (distance) P-C4' energy: -43.323
flat angles C4'-P-C4' energy: -43.923
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -53.612
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: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -535.350160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.350160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.350160 (E_RNA)
where:
Base-Base interactions energy: -360.490
where: short stacking energy: -170.392
Base-Backbone interact. energy: -0.162
local terms energy: -174.698676
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -33.947
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -52.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -468.648422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.648422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.648422 (E_RNA)
where:
Base-Base interactions energy: -306.921
where: short stacking energy: -137.453
Base-Backbone interact. energy: -0.625
local terms energy: -161.102780
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -29.196
tors. eta vs tors. theta energy: -32.706
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: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -379.502917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.502917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.502917 (E_RNA)
where:
Base-Base interactions energy: -238.795
where: short stacking energy: -106.828
Base-Backbone interact. energy: 3.077
local terms energy: -143.785388
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -36.585
flat angles C4'-P-C4' energy: -36.718
flat angles P-C4'-P energy: -30.479
tors. eta vs tors. theta energy: -10.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -404.439658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.439658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.439658 (E_RNA)
where:
Base-Base interactions energy: -255.946
where: short stacking energy: -117.512
Base-Backbone interact. energy: 1.860
local terms energy: -150.353677
where:
bonds (distance) C4'-P energy: -36.151
bonds (distance) P-C4' energy: -38.152
flat angles C4'-P-C4' energy: -31.932
flat angles P-C4'-P energy: -26.487
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -261.803047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.803047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.803047 (E_RNA)
where:
Base-Base interactions energy: -142.327
where: short stacking energy: -79.702
Base-Backbone interact. energy: 0.322
local terms energy: -119.797994
where:
bonds (distance) C4'-P energy: -36.284
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -25.997
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -7.957
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: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -280.039732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.039732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.039732 (E_RNA)
where:
Base-Base interactions energy: -145.572
where: short stacking energy: -72.904
Base-Backbone interact. energy: -1.350
local terms energy: -133.117911
where:
bonds (distance) C4'-P energy: -38.860
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -37.658
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -662.583645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.583645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.583645 (E_RNA)
where:
Base-Base interactions energy: -457.651
where: short stacking energy: -197.866
Base-Backbone interact. energy: -0.482
local terms energy: -204.450650
where:
bonds (distance) C4'-P energy: -39.200
bonds (distance) P-C4' energy: -37.659
flat angles C4'-P-C4' energy: -41.874
flat angles P-C4'-P energy: -28.509
tors. eta vs tors. theta energy: -57.209
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: 444
Temperature: 0.950000
Total energy: -640.172642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.172642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.172642 (E_RNA)
where:
Base-Base interactions energy: -452.225
where: short stacking energy: -179.601
Base-Backbone interact. energy: -0.478
local terms energy: -187.469997
where:
bonds (distance) C4'-P energy: -38.620
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -39.624
flat angles P-C4'-P energy: -32.305
tors. eta vs tors. theta energy: -47.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -613.817238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.817238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.817238 (E_RNA)
where:
Base-Base interactions energy: -412.898
where: short stacking energy: -176.882
Base-Backbone interact. energy: 0.460
local terms energy: -201.378743
where:
bonds (distance) C4'-P energy: -30.679
bonds (distance) P-C4' energy: -43.662
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -52.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -558.435646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.435646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.435646 (E_RNA)
where:
Base-Base interactions energy: -365.073
where: short stacking energy: -155.688
Base-Backbone interact. energy: -0.067
local terms energy: -193.295647
where:
bonds (distance) C4'-P energy: -35.412
bonds (distance) P-C4' energy: -39.334
flat angles C4'-P-C4' energy: -39.714
flat angles P-C4'-P energy: -32.452
tors. eta vs tors. theta energy: -46.384
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: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -576.520729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.520729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.520729 (E_RNA)
where:
Base-Base interactions energy: -378.546
where: short stacking energy: -178.450
Base-Backbone interact. energy: -0.048
local terms energy: -197.926423
where:
bonds (distance) C4'-P energy: -35.378
bonds (distance) P-C4' energy: -39.898
flat angles C4'-P-C4' energy: -40.623
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -58.044
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: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -472.042508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.042508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.042508 (E_RNA)
where:
Base-Base interactions energy: -300.130
where: short stacking energy: -138.840
Base-Backbone interact. energy: -0.979
local terms energy: -170.932875
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -33.914
flat angles C4'-P-C4' energy: -40.262
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: -35.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -415.146115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.146115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.146115 (E_RNA)
where:
Base-Base interactions energy: -267.594
where: short stacking energy: -128.388
Base-Backbone interact. energy: 4.456
local terms energy: -152.007895
where:
bonds (distance) C4'-P energy: -30.588
bonds (distance) P-C4' energy: -36.870
flat angles C4'-P-C4' energy: -32.923
flat angles P-C4'-P energy: -25.073
tors. eta vs tors. theta energy: -26.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -359.155126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.155126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.155126 (E_RNA)
where:
Base-Base interactions energy: -224.188
where: short stacking energy: -101.224
Base-Backbone interact. energy: 0.046
local terms energy: -135.012742
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -35.313
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -26.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -321.062195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.062195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.062195 (E_RNA)
where:
Base-Base interactions energy: -190.136
where: short stacking energy: -87.464
Base-Backbone interact. energy: 0.264
local terms energy: -131.190051
where:
bonds (distance) C4'-P energy: -29.529
bonds (distance) P-C4' energy: -31.263
flat angles C4'-P-C4' energy: -35.989
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -246.804025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.804025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.804025 (E_RNA)
where:
Base-Base interactions energy: -123.388
where: short stacking energy: -74.031
Base-Backbone interact. energy: 0.134
local terms energy: -123.550261
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -39.712
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -8.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -660.960382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.960382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.960382 (E_RNA)
where:
Base-Base interactions energy: -460.588
where: short stacking energy: -202.376
Base-Backbone interact. energy: -0.435
local terms energy: -199.937594
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -38.222
flat angles C4'-P-C4' energy: -42.798
flat angles P-C4'-P energy: -29.444
tors. eta vs tors. theta energy: -57.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -623.075590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.075590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.075590 (E_RNA)
where:
Base-Base interactions energy: -428.088
where: short stacking energy: -192.904
Base-Backbone interact. energy: -0.802
local terms energy: -194.185286
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -41.651
flat angles C4'-P-C4' energy: -40.697
flat angles P-C4'-P energy: -26.994
tors. eta vs tors. theta energy: -55.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -650.308206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.308206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.308206 (E_RNA)
where:
Base-Base interactions energy: -459.404
where: short stacking energy: -188.648
Base-Backbone interact. energy: 1.982
local terms energy: -192.885803
where:
bonds (distance) C4'-P energy: -37.423
bonds (distance) P-C4' energy: -29.541
flat angles C4'-P-C4' energy: -43.856
flat angles P-C4'-P energy: -32.991
tors. eta vs tors. theta energy: -49.075
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: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -571.616177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.616177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.616177 (E_RNA)
where:
Base-Base interactions energy: -373.370
where: short stacking energy: -171.888
Base-Backbone interact. energy: -1.207
local terms energy: -197.038951
where:
bonds (distance) C4'-P energy: -37.497
bonds (distance) P-C4' energy: -34.021
flat angles C4'-P-C4' energy: -42.393
flat angles P-C4'-P energy: -33.369
tors. eta vs tors. theta energy: -49.758
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: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -528.800349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.800349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.800349 (E_RNA)
where:
Base-Base interactions energy: -360.665
where: short stacking energy: -155.482
Base-Backbone interact. energy: -0.235
local terms energy: -167.900422
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -37.737
flat angles P-C4'-P energy: -32.922
tors. eta vs tors. theta energy: -37.289
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: 445
Temperature: 1.150000
Total energy: -460.890883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.890883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.890883 (E_RNA)
where:
Base-Base interactions energy: -306.680
where: short stacking energy: -133.009
Base-Backbone interact. energy: 2.726
local terms energy: -156.936641
where:
bonds (distance) C4'-P energy: -37.444
bonds (distance) P-C4' energy: -44.320
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -23.099
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: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -415.195103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.195103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.195103 (E_RNA)
where:
Base-Base interactions energy: -279.795
where: short stacking energy: -124.388
Base-Backbone interact. energy: 1.805
local terms energy: -137.204808
where:
bonds (distance) C4'-P energy: -27.283
bonds (distance) P-C4' energy: -40.985
flat angles C4'-P-C4' energy: -28.052
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -17.661
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: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -403.213089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.213089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.213089 (E_RNA)
where:
Base-Base interactions energy: -251.347
where: short stacking energy: -123.642
Base-Backbone interact. energy: -0.725
local terms energy: -151.141060
where:
bonds (distance) C4'-P energy: -33.913
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: -27.510
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: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -281.585406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.585406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.585406 (E_RNA)
where:
Base-Base interactions energy: -157.825
where: short stacking energy: -77.597
Base-Backbone interact. energy: 0.269
local terms energy: -124.029484
where:
bonds (distance) C4'-P energy: -28.617
bonds (distance) P-C4' energy: -32.617
flat angles C4'-P-C4' energy: -36.495
flat angles P-C4'-P energy: -23.659
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -252.862749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.862749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.862749 (E_RNA)
where:
Base-Base interactions energy: -145.999
where: short stacking energy: -80.837
Base-Backbone interact. energy: -0.255
local terms energy: -106.608860
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -35.167
flat angles C4'-P-C4' energy: -25.806
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -6.111
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: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -659.619576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.619576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.619576 (E_RNA)
where:
Base-Base interactions energy: -441.738
where: short stacking energy: -201.036
Base-Backbone interact. energy: -0.184
local terms energy: -217.697139
where:
bonds (distance) C4'-P energy: -39.253
bonds (distance) P-C4' energy: -41.987
flat angles C4'-P-C4' energy: -46.945
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: -64.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -644.697845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.697845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.697845 (E_RNA)
where:
Base-Base interactions energy: -442.689
where: short stacking energy: -198.068
Base-Backbone interact. energy: -1.081
local terms energy: -200.928081
where:
bonds (distance) C4'-P energy: -32.966
bonds (distance) P-C4' energy: -40.884
flat angles C4'-P-C4' energy: -43.673
flat angles P-C4'-P energy: -25.888
tors. eta vs tors. theta energy: -57.517
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: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -623.616510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.616510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.616510 (E_RNA)
where:
Base-Base interactions energy: -433.824
where: short stacking energy: -173.958
Base-Backbone interact. energy: -0.443
local terms energy: -189.349291
where:
bonds (distance) C4'-P energy: -38.478
bonds (distance) P-C4' energy: -36.133
flat angles C4'-P-C4' energy: -43.754
flat angles P-C4'-P energy: -22.805
tors. eta vs tors. theta energy: -48.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -550.074567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.074567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.074567 (E_RNA)
where:
Base-Base interactions energy: -359.237
where: short stacking energy: -178.576
Base-Backbone interact. energy: -0.351
local terms energy: -190.486651
where:
bonds (distance) C4'-P energy: -35.771
bonds (distance) P-C4' energy: -33.028
flat angles C4'-P-C4' energy: -44.389
flat angles P-C4'-P energy: -29.313
tors. eta vs tors. theta energy: -47.987
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: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -555.025326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.025326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.025326 (E_RNA)
where:
Base-Base interactions energy: -381.791
where: short stacking energy: -169.236
Base-Backbone interact. energy: -0.140
local terms energy: -173.095136
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -38.170
flat angles C4'-P-C4' energy: -37.026
flat angles P-C4'-P energy: -23.299
tors. eta vs tors. theta energy: -51.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -460.535116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.535116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.535116 (E_RNA)
where:
Base-Base interactions energy: -310.796
where: short stacking energy: -122.839
Base-Backbone interact. energy: 1.255
local terms energy: -150.993403
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -34.396
flat angles C4'-P-C4' energy: -30.508
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -32.948
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: 446
Temperature: 1.200000
Total energy: -451.407525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.407525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.407525 (E_RNA)
where:
Base-Base interactions energy: -307.178
where: short stacking energy: -143.419
Base-Backbone interact. energy: 3.688
local terms energy: -147.916990
where:
bonds (distance) C4'-P energy: -37.354
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -30.669
flat angles P-C4'-P energy: -28.962
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -390.986727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.986727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.986727 (E_RNA)
where:
Base-Base interactions energy: -252.773
where: short stacking energy: -125.934
Base-Backbone interact. energy: -0.688
local terms energy: -137.525699
where:
bonds (distance) C4'-P energy: -33.989
bonds (distance) P-C4' energy: -28.615
flat angles C4'-P-C4' energy: -38.028
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -272.114727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.114727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.114727 (E_RNA)
where:
Base-Base interactions energy: -140.405
where: short stacking energy: -85.993
Base-Backbone interact. energy: 3.109
local terms energy: -134.818586
where:
bonds (distance) C4'-P energy: -32.493
bonds (distance) P-C4' energy: -31.009
flat angles C4'-P-C4' energy: -29.335
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: -20.024
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: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -331.829515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.829515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.829515 (E_RNA)
where:
Base-Base interactions energy: -198.507
where: short stacking energy: -100.357
Base-Backbone interact. energy: -0.828
local terms energy: -132.494568
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -35.371
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -660.121067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.121067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.121067 (E_RNA)
where:
Base-Base interactions energy: -448.623
where: short stacking energy: -190.243
Base-Backbone interact. energy: -0.172
local terms energy: -211.325954
where:
bonds (distance) C4'-P energy: -36.256
bonds (distance) P-C4' energy: -39.562
flat angles C4'-P-C4' energy: -47.618
flat angles P-C4'-P energy: -32.398
tors. eta vs tors. theta energy: -55.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -635.531738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.531738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.531738 (E_RNA)
where:
Base-Base interactions energy: -430.941
where: short stacking energy: -180.223
Base-Backbone interact. energy: 1.061
local terms energy: -205.651492
where:
bonds (distance) C4'-P energy: -37.747
bonds (distance) P-C4' energy: -36.963
flat angles C4'-P-C4' energy: -44.796
flat angles P-C4'-P energy: -28.847
tors. eta vs tors. theta energy: -57.298
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: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -626.859667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.859667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.859667 (E_RNA)
where:
Base-Base interactions energy: -421.136
where: short stacking energy: -170.816
Base-Backbone interact. energy: -0.728
local terms energy: -204.995146
where:
bonds (distance) C4'-P energy: -34.412
bonds (distance) P-C4' energy: -44.008
flat angles C4'-P-C4' energy: -42.980
flat angles P-C4'-P energy: -34.794
tors. eta vs tors. theta energy: -48.802
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: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -599.858882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.858882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.858882 (E_RNA)
where:
Base-Base interactions energy: -399.926
where: short stacking energy: -180.455
Base-Backbone interact. energy: -0.401
local terms energy: -199.531105
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -37.006
flat angles C4'-P-C4' energy: -47.318
flat angles P-C4'-P energy: -27.354
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: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -541.126912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.126912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.126912 (E_RNA)
where:
Base-Base interactions energy: -358.396
where: short stacking energy: -158.893
Base-Backbone interact. energy: -0.417
local terms energy: -182.314459
where:
bonds (distance) C4'-P energy: -41.059
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -36.802
flat angles P-C4'-P energy: -27.439
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: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -481.844090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.844090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.844090 (E_RNA)
where:
Base-Base interactions energy: -303.540
where: short stacking energy: -137.487
Base-Backbone interact. energy: -0.976
local terms energy: -177.328294
where:
bonds (distance) C4'-P energy: -40.217
bonds (distance) P-C4' energy: -42.082
flat angles C4'-P-C4' energy: -39.900
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -38.886
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: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -449.197535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.197535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.197535 (E_RNA)
where:
Base-Base interactions energy: -302.247
where: short stacking energy: -128.354
Base-Backbone interact. energy: 0.476
local terms energy: -147.426064
where:
bonds (distance) C4'-P energy: -32.924
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -38.397
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -27.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -367.219683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.219683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.219683 (E_RNA)
where:
Base-Base interactions energy: -226.095
where: short stacking energy: -96.356
Base-Backbone interact. energy: -0.110
local terms energy: -141.014548
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -36.382
flat angles C4'-P-C4' energy: -45.110
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -10.381
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: 447
Temperature: 1.300000
Total energy: -274.630158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.630158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.630158 (E_RNA)
where:
Base-Base interactions energy: -139.352
where: short stacking energy: -87.579
Base-Backbone interact. energy: -0.540
local terms energy: -134.738142
where:
bonds (distance) C4'-P energy: -37.036
bonds (distance) P-C4' energy: -34.895
flat angles C4'-P-C4' energy: -33.653
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -11.112
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: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -376.308344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.308344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.308344 (E_RNA)
where:
Base-Base interactions energy: -257.843
where: short stacking energy: -109.218
Base-Backbone interact. energy: -0.666
local terms energy: -117.799415
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -31.017
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -652.637412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.637412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.637412 (E_RNA)
where:
Base-Base interactions energy: -439.698
where: short stacking energy: -192.256
Base-Backbone interact. energy: -0.526
local terms energy: -212.414363
where:
bonds (distance) C4'-P energy: -37.840
bonds (distance) P-C4' energy: -45.914
flat angles C4'-P-C4' energy: -38.507
flat angles P-C4'-P energy: -30.321
tors. eta vs tors. theta energy: -59.832
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: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -629.385427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.385427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.385427 (E_RNA)
where:
Base-Base interactions energy: -425.736
where: short stacking energy: -173.704
Base-Backbone interact. energy: -0.661
local terms energy: -202.989085
where:
bonds (distance) C4'-P energy: -36.530
bonds (distance) P-C4' energy: -36.346
flat angles C4'-P-C4' energy: -43.210
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -58.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -617.168570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.168570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.168570 (E_RNA)
where:
Base-Base interactions energy: -413.541
where: short stacking energy: -186.768
Base-Backbone interact. energy: -0.562
local terms energy: -203.065477
where:
bonds (distance) C4'-P energy: -38.066
bonds (distance) P-C4' energy: -30.283
flat angles C4'-P-C4' energy: -45.858
flat angles P-C4'-P energy: -32.460
tors. eta vs tors. theta energy: -56.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -660.670421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.670421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.670421 (E_RNA)
where:
Base-Base interactions energy: -464.581
where: short stacking energy: -192.572
Base-Backbone interact. energy: -0.724
local terms energy: -195.364493
where:
bonds (distance) C4'-P energy: -35.660
bonds (distance) P-C4' energy: -37.949
flat angles C4'-P-C4' energy: -43.452
flat angles P-C4'-P energy: -23.802
tors. eta vs tors. theta energy: -54.502
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: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -554.019723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.019723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.019723 (E_RNA)
where:
Base-Base interactions energy: -369.024
where: short stacking energy: -162.235
Base-Backbone interact. energy: -0.347
local terms energy: -184.648846
where:
bonds (distance) C4'-P energy: -35.931
bonds (distance) P-C4' energy: -29.509
flat angles C4'-P-C4' energy: -46.300
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: -48.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -468.344500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.344500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.344500 (E_RNA)
where:
Base-Base interactions energy: -294.951
where: short stacking energy: -132.239
Base-Backbone interact. energy: 0.191
local terms energy: -173.584213
where:
bonds (distance) C4'-P energy: -32.588
bonds (distance) P-C4' energy: -34.051
flat angles C4'-P-C4' energy: -37.224
flat angles P-C4'-P energy: -25.885
tors. eta vs tors. theta energy: -43.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -447.258394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.258394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.258394 (E_RNA)
where:
Base-Base interactions energy: -264.170
where: short stacking energy: -122.936
Base-Backbone interact. energy: -0.440
local terms energy: -182.648427
where:
bonds (distance) C4'-P energy: -34.645
bonds (distance) P-C4' energy: -44.480
flat angles C4'-P-C4' energy: -38.948
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -30.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -371.631488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.631488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.631488 (E_RNA)
where:
Base-Base interactions energy: -233.096
where: short stacking energy: -108.456
Base-Backbone interact. energy: -0.311
local terms energy: -138.225095
where:
bonds (distance) C4'-P energy: -34.748
bonds (distance) P-C4' energy: -35.177
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -22.402
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: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -413.071592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.071592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.071592 (E_RNA)
where:
Base-Base interactions energy: -274.651
where: short stacking energy: -115.589
Base-Backbone interact. energy: -0.623
local terms energy: -137.797626
where:
bonds (distance) C4'-P energy: -35.054
bonds (distance) P-C4' energy: -38.674
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -264.632236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.632236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.632236 (E_RNA)
where:
Base-Base interactions energy: -136.218
where: short stacking energy: -76.500
Base-Backbone interact. energy: -2.528
local terms energy: -125.886345
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -37.157
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -11.745
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: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -655.553552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.553552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.553552 (E_RNA)
where:
Base-Base interactions energy: -443.749
where: short stacking energy: -186.841
Base-Backbone interact. energy: -0.672
local terms energy: -211.133080
where:
bonds (distance) C4'-P energy: -38.767
bonds (distance) P-C4' energy: -37.446
flat angles C4'-P-C4' energy: -45.077
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -60.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -625.146102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.146102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.146102 (E_RNA)
where:
Base-Base interactions energy: -414.330
where: short stacking energy: -183.517
Base-Backbone interact. energy: -0.013
local terms energy: -210.802895
where:
bonds (distance) C4'-P energy: -38.888
bonds (distance) P-C4' energy: -33.425
flat angles C4'-P-C4' energy: -44.929
flat angles P-C4'-P energy: -35.577
tors. eta vs tors. theta energy: -57.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -633.492284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.492284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.492284 (E_RNA)
where:
Base-Base interactions energy: -436.584
where: short stacking energy: -186.163
Base-Backbone interact. energy: -0.548
local terms energy: -196.360599
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -38.026
flat angles C4'-P-C4' energy: -39.650
flat angles P-C4'-P energy: -25.201
tors. eta vs tors. theta energy: -57.748
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: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -654.047250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.047250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.047250 (E_RNA)
where:
Base-Base interactions energy: -450.410
where: short stacking energy: -185.181
Base-Backbone interact. energy: -0.677
local terms energy: -202.959936
where:
bonds (distance) C4'-P energy: -36.665
bonds (distance) P-C4' energy: -41.516
flat angles C4'-P-C4' energy: -42.613
flat angles P-C4'-P energy: -25.946
tors. eta vs tors. theta energy: -56.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -551.746588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.746588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.746588 (E_RNA)
where:
Base-Base interactions energy: -369.598
where: short stacking energy: -170.882
Base-Backbone interact. energy: -0.139
local terms energy: -182.009544
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -37.259
flat angles C4'-P-C4' energy: -40.620
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -49.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -492.021670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.021670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.021670 (E_RNA)
where:
Base-Base interactions energy: -313.552
where: short stacking energy: -142.399
Base-Backbone interact. energy: -0.209
local terms energy: -178.260657
where:
bonds (distance) C4'-P energy: -41.488
bonds (distance) P-C4' energy: -36.774
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -26.413
tors. eta vs tors. theta energy: -37.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -452.011117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.011117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.011117 (E_RNA)
where:
Base-Base interactions energy: -296.599
where: short stacking energy: -141.163
Base-Backbone interact. energy: -0.060
local terms energy: -155.352537
where:
bonds (distance) C4'-P energy: -31.002
bonds (distance) P-C4' energy: -29.993
flat angles C4'-P-C4' energy: -35.556
flat angles P-C4'-P energy: -19.922
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: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -424.540540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.540540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.540540 (E_RNA)
where:
Base-Base interactions energy: -291.134
where: short stacking energy: -129.953
Base-Backbone interact. energy: -0.487
local terms energy: -132.920194
where:
bonds (distance) C4'-P energy: -29.972
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -33.447
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -25.104
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: 449
Temperature: 1.300000
Total energy: -346.983079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.983079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.983079 (E_RNA)
where:
Base-Base interactions energy: -210.208
where: short stacking energy: -89.183
Base-Backbone interact. energy: -1.104
local terms energy: -135.670353
where:
bonds (distance) C4'-P energy: -38.840
bonds (distance) P-C4' energy: -28.531
flat angles C4'-P-C4' energy: -38.594
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -248.220364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.220364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.220364 (E_RNA)
where:
Base-Base interactions energy: -126.912
where: short stacking energy: -67.012
Base-Backbone interact. energy: 0.095
local terms energy: -121.402676
where:
bonds (distance) C4'-P energy: -26.837
bonds (distance) P-C4' energy: -37.419
flat angles C4'-P-C4' energy: -37.286
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -8.492
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: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -672.467812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.467812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.467812 (E_RNA)
where:
Base-Base interactions energy: -461.517
where: short stacking energy: -202.519
Base-Backbone interact. energy: -0.032
local terms energy: -210.918796
where:
bonds (distance) C4'-P energy: -38.608
bonds (distance) P-C4' energy: -41.450
flat angles C4'-P-C4' energy: -44.329
flat angles P-C4'-P energy: -29.260
tors. eta vs tors. theta energy: -57.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -636.158409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.158409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.158409 (E_RNA)
where:
Base-Base interactions energy: -411.131
where: short stacking energy: -192.433
Base-Backbone interact. energy: -0.359
local terms energy: -224.667681
where:
bonds (distance) C4'-P energy: -42.632
bonds (distance) P-C4' energy: -44.779
flat angles C4'-P-C4' energy: -43.570
flat angles P-C4'-P energy: -34.467
tors. eta vs tors. theta energy: -59.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -649.044717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.044717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.044717 (E_RNA)
where:
Base-Base interactions energy: -454.698
where: short stacking energy: -183.410
Base-Backbone interact. energy: -0.820
local terms energy: -193.526268
where:
bonds (distance) C4'-P energy: -40.416
bonds (distance) P-C4' energy: -38.487
flat angles C4'-P-C4' energy: -40.115
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -47.845
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: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -617.190149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.190149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.190149 (E_RNA)
where:
Base-Base interactions energy: -425.996
where: short stacking energy: -187.874
Base-Backbone interact. energy: 0.611
local terms energy: -191.804630
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -34.541
flat angles C4'-P-C4' energy: -39.152
flat angles P-C4'-P energy: -25.159
tors. eta vs tors. theta energy: -56.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -566.611892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.611892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.611892 (E_RNA)
where:
Base-Base interactions energy: -379.896
where: short stacking energy: -176.411
Base-Backbone interact. energy: -0.454
local terms energy: -186.262015
where:
bonds (distance) C4'-P energy: -31.108
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -39.031
flat angles P-C4'-P energy: -32.755
tors. eta vs tors. theta energy: -49.335
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: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -483.156790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.156790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.156790 (E_RNA)
where:
Base-Base interactions energy: -298.788
where: short stacking energy: -131.107
Base-Backbone interact. energy: -1.523
local terms energy: -182.846407
where:
bonds (distance) C4'-P energy: -37.646
bonds (distance) P-C4' energy: -41.244
flat angles C4'-P-C4' energy: -42.513
flat angles P-C4'-P energy: -23.724
tors. eta vs tors. theta energy: -37.719
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: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -479.610841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.610841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.610841 (E_RNA)
where:
Base-Base interactions energy: -316.758
where: short stacking energy: -150.027
Base-Backbone interact. energy: -0.143
local terms energy: -162.708857
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -32.591
flat angles P-C4'-P energy: -25.237
tors. eta vs tors. theta energy: -48.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -420.667654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.667654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.667654 (E_RNA)
where:
Base-Base interactions energy: -274.722
where: short stacking energy: -113.579
Base-Backbone interact. energy: 0.629
local terms energy: -146.574450
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -32.935
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -23.598
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: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -334.275822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.275822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.275822 (E_RNA)
where:
Base-Base interactions energy: -212.286
where: short stacking energy: -101.859
Base-Backbone interact. energy: 0.618
local terms energy: -122.607897
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -34.431
flat angles C4'-P-C4' energy: -29.493
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -16.677
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: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -249.525964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.525964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.525964 (E_RNA)
where:
Base-Base interactions energy: -119.760
where: short stacking energy: -63.827
Base-Backbone interact. energy: -0.920
local terms energy: -128.846383
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -41.658
flat angles C4'-P-C4' energy: -35.364
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -8.580
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: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -678.595591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.595591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.595591 (E_RNA)
where:
Base-Base interactions energy: -458.990
where: short stacking energy: -196.115
Base-Backbone interact. energy: -0.942
local terms energy: -218.663223
where:
bonds (distance) C4'-P energy: -40.457
bonds (distance) P-C4' energy: -43.850
flat angles C4'-P-C4' energy: -47.376
flat angles P-C4'-P energy: -25.463
tors. eta vs tors. theta energy: -61.517
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: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -663.369105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.369105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.369105 (E_RNA)
where:
Base-Base interactions energy: -466.453
where: short stacking energy: -189.813
Base-Backbone interact. energy: -0.140
local terms energy: -196.776415
where:
bonds (distance) C4'-P energy: -36.973
bonds (distance) P-C4' energy: -32.144
flat angles C4'-P-C4' energy: -43.026
flat angles P-C4'-P energy: -31.590
tors. eta vs tors. theta energy: -53.043
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: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -578.351563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.351563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.351563 (E_RNA)
where:
Base-Base interactions energy: -387.686
where: short stacking energy: -181.697
Base-Backbone interact. energy: -0.012
local terms energy: -190.653945
where:
bonds (distance) C4'-P energy: -34.423
bonds (distance) P-C4' energy: -31.550
flat angles C4'-P-C4' energy: -37.557
flat angles P-C4'-P energy: -28.579
tors. eta vs tors. theta energy: -58.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -623.658003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.658003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.658003 (E_RNA)
where:
Base-Base interactions energy: -431.974
where: short stacking energy: -186.602
Base-Backbone interact. energy: -0.169
local terms energy: -191.514220
where:
bonds (distance) C4'-P energy: -26.089
bonds (distance) P-C4' energy: -43.105
flat angles C4'-P-C4' energy: -41.603
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -57.210
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: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -578.880147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.880147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.880147 (E_RNA)
where:
Base-Base interactions energy: -387.425
where: short stacking energy: -177.468
Base-Backbone interact. energy: -0.140
local terms energy: -191.314548
where:
bonds (distance) C4'-P energy: -35.643
bonds (distance) P-C4' energy: -31.823
flat angles C4'-P-C4' energy: -37.271
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -59.375
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: 451
Temperature: 1.150000
Total energy: -467.803343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.803343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.803343 (E_RNA)
where:
Base-Base interactions energy: -299.530
where: short stacking energy: -146.126
Base-Backbone interact. energy: -0.446
local terms energy: -167.826947
where:
bonds (distance) C4'-P energy: -35.387
bonds (distance) P-C4' energy: -35.966
flat angles C4'-P-C4' energy: -36.781
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: -35.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -467.213420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.213420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.213420 (E_RNA)
where:
Base-Base interactions energy: -310.755
where: short stacking energy: -141.847
Base-Backbone interact. energy: -0.707
local terms energy: -155.751336
where:
bonds (distance) C4'-P energy: -28.901
bonds (distance) P-C4' energy: -30.133
flat angles C4'-P-C4' energy: -40.602
flat angles P-C4'-P energy: -22.700
tors. eta vs tors. theta energy: -33.415
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: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -404.896894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.896894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.896894 (E_RNA)
where:
Base-Base interactions energy: -262.779
where: short stacking energy: -119.832
Base-Backbone interact. energy: -0.338
local terms energy: -141.780623
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -27.081
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -23.575
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: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -361.491468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.491468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.491468 (E_RNA)
where:
Base-Base interactions energy: -211.158
where: short stacking energy: -103.959
Base-Backbone interact. energy: -0.706
local terms energy: -149.627848
where:
bonds (distance) C4'-P energy: -35.330
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -26.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -262.728553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.728553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.728553 (E_RNA)
where:
Base-Base interactions energy: -148.015
where: short stacking energy: -65.337
Base-Backbone interact. energy: -0.954
local terms energy: -113.759437
where:
bonds (distance) C4'-P energy: -32.893
bonds (distance) P-C4' energy: -27.624
flat angles C4'-P-C4' energy: -28.335
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -4.912
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: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -658.539063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.539063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.539063 (E_RNA)
where:
Base-Base interactions energy: -453.600
where: short stacking energy: -183.088
Base-Backbone interact. energy: -1.053
local terms energy: -203.886369
where:
bonds (distance) C4'-P energy: -35.669
bonds (distance) P-C4' energy: -39.971
flat angles C4'-P-C4' energy: -41.903
flat angles P-C4'-P energy: -30.624
tors. eta vs tors. theta energy: -55.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -647.028996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.028996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.028996 (E_RNA)
where:
Base-Base interactions energy: -442.517
where: short stacking energy: -195.365
Base-Backbone interact. energy: -0.161
local terms energy: -204.350328
where:
bonds (distance) C4'-P energy: -37.438
bonds (distance) P-C4' energy: -33.566
flat angles C4'-P-C4' energy: -43.309
flat angles P-C4'-P energy: -28.798
tors. eta vs tors. theta energy: -61.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -625.549027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.549027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.549027 (E_RNA)
where:
Base-Base interactions energy: -428.196
where: short stacking energy: -180.889
Base-Backbone interact. energy: -0.046
local terms energy: -197.307181
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -37.615
flat angles C4'-P-C4' energy: -43.900
flat angles P-C4'-P energy: -26.770
tors. eta vs tors. theta energy: -54.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -590.764946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.764946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.764946 (E_RNA)
where:
Base-Base interactions energy: -399.844
where: short stacking energy: -157.505
Base-Backbone interact. energy: -0.805
local terms energy: -190.115523
where:
bonds (distance) C4'-P energy: -38.674
bonds (distance) P-C4' energy: -40.205
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -27.365
tors. eta vs tors. theta energy: -47.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -572.204064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.204064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.204064 (E_RNA)
where:
Base-Base interactions energy: -395.413
where: short stacking energy: -171.566
Base-Backbone interact. energy: 1.318
local terms energy: -178.109521
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -41.871
flat angles P-C4'-P energy: -27.502
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: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -472.547748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.547748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.547748 (E_RNA)
where:
Base-Base interactions energy: -310.890
where: short stacking energy: -154.014
Base-Backbone interact. energy: -1.270
local terms energy: -160.388151
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -37.158
flat angles C4'-P-C4' energy: -38.095
flat angles P-C4'-P energy: -20.511
tors. eta vs tors. theta energy: -33.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -452.738988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.738988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.738988 (E_RNA)
where:
Base-Base interactions energy: -302.894
where: short stacking energy: -135.252
Base-Backbone interact. energy: -2.052
local terms energy: -147.792741
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -33.423
flat angles C4'-P-C4' energy: -35.383
flat angles P-C4'-P energy: -25.485
tors. eta vs tors. theta energy: -31.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -417.029971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.029971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.029971 (E_RNA)
where:
Base-Base interactions energy: -274.142
where: short stacking energy: -107.259
Base-Backbone interact. energy: -1.233
local terms energy: -141.654374
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -38.253
flat angles C4'-P-C4' energy: -29.950
flat angles P-C4'-P energy: -19.936
tors. eta vs tors. theta energy: -26.399
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: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -324.609813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.609813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.609813 (E_RNA)
where:
Base-Base interactions energy: -209.665
where: short stacking energy: -96.864
Base-Backbone interact. energy: 2.283
local terms energy: -117.227706
where:
bonds (distance) C4'-P energy: -36.714
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -36.122
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -9.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -253.177945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.177945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.177945 (E_RNA)
where:
Base-Base interactions energy: -127.054
where: short stacking energy: -56.528
Base-Backbone interact. energy: -0.850
local terms energy: -125.274604
where:
bonds (distance) C4'-P energy: -31.729
bonds (distance) P-C4' energy: -34.204
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -19.813
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: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -687.803811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.803811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.803811 (E_RNA)
where:
Base-Base interactions energy: -481.323
where: short stacking energy: -198.082
Base-Backbone interact. energy: -0.977
local terms energy: -205.504088
where:
bonds (distance) C4'-P energy: -35.088
bonds (distance) P-C4' energy: -45.033
flat angles C4'-P-C4' energy: -46.513
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -55.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -644.372800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.372800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.372800 (E_RNA)
where:
Base-Base interactions energy: -441.619
where: short stacking energy: -198.925
Base-Backbone interact. energy: 0.498
local terms energy: -203.251339
where:
bonds (distance) C4'-P energy: -34.450
bonds (distance) P-C4' energy: -41.609
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -27.948
tors. eta vs tors. theta energy: -60.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -618.858529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.858529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.858529 (E_RNA)
where:
Base-Base interactions energy: -429.857
where: short stacking energy: -187.411
Base-Backbone interact. energy: 0.241
local terms energy: -189.242884
where:
bonds (distance) C4'-P energy: -34.295
bonds (distance) P-C4' energy: -35.404
flat angles C4'-P-C4' energy: -37.413
flat angles P-C4'-P energy: -25.106
tors. eta vs tors. theta energy: -57.026
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: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -574.153343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.153343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.153343 (E_RNA)
where:
Base-Base interactions energy: -380.058
where: short stacking energy: -169.685
Base-Backbone interact. energy: -0.217
local terms energy: -193.878531
where:
bonds (distance) C4'-P energy: -39.738
bonds (distance) P-C4' energy: -36.417
flat angles C4'-P-C4' energy: -38.593
flat angles P-C4'-P energy: -34.002
tors. eta vs tors. theta energy: -45.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -549.675846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.675846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.675846 (E_RNA)
where:
Base-Base interactions energy: -373.499
where: short stacking energy: -144.400
Base-Backbone interact. energy: -0.466
local terms energy: -175.710710
where:
bonds (distance) C4'-P energy: -35.093
bonds (distance) P-C4' energy: -37.262
flat angles C4'-P-C4' energy: -35.901
flat angles P-C4'-P energy: -19.436
tors. eta vs tors. theta energy: -48.018
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: 453
Temperature: 1.150000
Total energy: -482.206851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.206851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.206851 (E_RNA)
where:
Base-Base interactions energy: -318.735
where: short stacking energy: -145.999
Base-Backbone interact. energy: -0.209
local terms energy: -163.263591
where:
bonds (distance) C4'-P energy: -34.135
bonds (distance) P-C4' energy: -33.859
flat angles C4'-P-C4' energy: -31.784
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -41.546
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: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -437.911311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.911311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.911311 (E_RNA)
where:
Base-Base interactions energy: -291.624
where: short stacking energy: -126.293
Base-Backbone interact. energy: -0.281
local terms energy: -146.006942
where:
bonds (distance) C4'-P energy: -26.960
bonds (distance) P-C4' energy: -27.176
flat angles C4'-P-C4' energy: -38.377
flat angles P-C4'-P energy: -22.583
tors. eta vs tors. theta energy: -30.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -441.018304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.018304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.018304 (E_RNA)
where:
Base-Base interactions energy: -284.424
where: short stacking energy: -117.815
Base-Backbone interact. energy: 0.434
local terms energy: -157.028608
where:
bonds (distance) C4'-P energy: -33.303
bonds (distance) P-C4' energy: -39.579
flat angles C4'-P-C4' energy: -34.856
flat angles P-C4'-P energy: -21.346
tors. eta vs tors. theta energy: -27.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -328.164076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.164076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.164076 (E_RNA)
where:
Base-Base interactions energy: -193.812
where: short stacking energy: -98.347
Base-Backbone interact. energy: -0.134
local terms energy: -134.217379
where:
bonds (distance) C4'-P energy: -24.541
bonds (distance) P-C4' energy: -35.324
flat angles C4'-P-C4' energy: -32.351
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -19.975
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: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -242.467736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.467736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.467736 (E_RNA)
where:
Base-Base interactions energy: -120.030
where: short stacking energy: -59.695
Base-Backbone interact. energy: 0.091
local terms energy: -122.528461
where:
bonds (distance) C4'-P energy: -37.636
bonds (distance) P-C4' energy: -36.660
flat angles C4'-P-C4' energy: -29.467
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -9.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -665.680264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.680264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.680264 (E_RNA)
where:
Base-Base interactions energy: -456.585
where: short stacking energy: -203.302
Base-Backbone interact. energy: -0.373
local terms energy: -208.722850
where:
bonds (distance) C4'-P energy: -33.511
bonds (distance) P-C4' energy: -41.875
flat angles C4'-P-C4' energy: -44.100
flat angles P-C4'-P energy: -27.570
tors. eta vs tors. theta energy: -61.667
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: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -671.372941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.372941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.372941 (E_RNA)
where:
Base-Base interactions energy: -465.185
where: short stacking energy: -206.289
Base-Backbone interact. energy: -0.925
local terms energy: -205.263212
where:
bonds (distance) C4'-P energy: -38.302
bonds (distance) P-C4' energy: -42.795
flat angles C4'-P-C4' energy: -41.488
flat angles P-C4'-P energy: -27.172
tors. eta vs tors. theta energy: -55.506
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: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -598.056392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.056392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.056392 (E_RNA)
where:
Base-Base interactions energy: -411.913
where: short stacking energy: -196.000
Base-Backbone interact. energy: -1.175
local terms energy: -184.968346
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -36.355
flat angles C4'-P-C4' energy: -41.852
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -55.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -590.251699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.251699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.251699 (E_RNA)
where:
Base-Base interactions energy: -396.017
where: short stacking energy: -170.805
Base-Backbone interact. energy: -0.086
local terms energy: -194.148629
where:
bonds (distance) C4'-P energy: -33.462
bonds (distance) P-C4' energy: -40.352
flat angles C4'-P-C4' energy: -39.955
flat angles P-C4'-P energy: -21.412
tors. eta vs tors. theta energy: -58.967
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: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -547.236429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.236429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.236429 (E_RNA)
where:
Base-Base interactions energy: -376.608
where: short stacking energy: -148.615
Base-Backbone interact. energy: -1.095
local terms energy: -169.533121
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -39.967
flat angles C4'-P-C4' energy: -32.685
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: -45.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -482.565120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.565120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.565120 (E_RNA)
where:
Base-Base interactions energy: -300.806
where: short stacking energy: -141.536
Base-Backbone interact. energy: -0.571
local terms energy: -181.188186
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -43.577
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -24.338
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: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -454.025730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.025730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.025730 (E_RNA)
where:
Base-Base interactions energy: -293.765
where: short stacking energy: -126.554
Base-Backbone interact. energy: -0.655
local terms energy: -159.605861
where:
bonds (distance) C4'-P energy: -30.391
bonds (distance) P-C4' energy: -30.574
flat angles C4'-P-C4' energy: -38.532
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -35.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -422.535031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.535031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.535031 (E_RNA)
where:
Base-Base interactions energy: -272.456
where: short stacking energy: -111.662
Base-Backbone interact. energy: -0.384
local terms energy: -149.695183
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -34.485
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -24.430
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: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -334.281154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.281154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.281154 (E_RNA)
where:
Base-Base interactions energy: -193.321
where: short stacking energy: -82.732
Base-Backbone interact. energy: -0.960
local terms energy: -140.001046
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -34.383
flat angles C4'-P-C4' energy: -35.961
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -261.080766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.080766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.080766 (E_RNA)
where:
Base-Base interactions energy: -137.757
where: short stacking energy: -79.581
Base-Backbone interact. energy: -1.022
local terms energy: -122.302092
where:
bonds (distance) C4'-P energy: -35.221
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -26.833
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -660.222092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.222092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.222092 (E_RNA)
where:
Base-Base interactions energy: -444.062
where: short stacking energy: -194.583
Base-Backbone interact. energy: -0.866
local terms energy: -215.293613
where:
bonds (distance) C4'-P energy: -36.935
bonds (distance) P-C4' energy: -39.030
flat angles C4'-P-C4' energy: -48.615
flat angles P-C4'-P energy: -28.694
tors. eta vs tors. theta energy: -62.020
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: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -656.192720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.192720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.192720 (E_RNA)
where:
Base-Base interactions energy: -463.564
where: short stacking energy: -199.495
Base-Backbone interact. energy: -0.350
local terms energy: -192.278994
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -42.398
flat angles C4'-P-C4' energy: -37.882
flat angles P-C4'-P energy: -27.635
tors. eta vs tors. theta energy: -56.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -592.878017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.878017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.878017 (E_RNA)
where:
Base-Base interactions energy: -391.986
where: short stacking energy: -188.178
Base-Backbone interact. energy: -0.591
local terms energy: -200.300494
where:
bonds (distance) C4'-P energy: -39.010
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -42.527
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -56.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -556.090384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.090384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.090384 (E_RNA)
where:
Base-Base interactions energy: -375.951
where: short stacking energy: -142.910
Base-Backbone interact. energy: -0.438
local terms energy: -179.701375
where:
bonds (distance) C4'-P energy: -30.531
bonds (distance) P-C4' energy: -40.478
flat angles C4'-P-C4' energy: -40.790
flat angles P-C4'-P energy: -23.460
tors. eta vs tors. theta energy: -44.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -585.515393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.515393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.515393 (E_RNA)
where:
Base-Base interactions energy: -396.763
where: short stacking energy: -168.791
Base-Backbone interact. energy: -0.470
local terms energy: -188.282840
where:
bonds (distance) C4'-P energy: -36.577
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -39.961
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -55.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -458.860577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.860577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.860577 (E_RNA)
where:
Base-Base interactions energy: -292.847
where: short stacking energy: -145.908
Base-Backbone interact. energy: -0.394
local terms energy: -165.619633
where:
bonds (distance) C4'-P energy: -36.666
bonds (distance) P-C4' energy: -39.983
flat angles C4'-P-C4' energy: -37.470
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -33.533
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: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -445.505312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.505312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.505312 (E_RNA)
where:
Base-Base interactions energy: -295.148
where: short stacking energy: -146.010
Base-Backbone interact. energy: -1.116
local terms energy: -149.240909
where:
bonds (distance) C4'-P energy: -26.575
bonds (distance) P-C4' energy: -31.991
flat angles C4'-P-C4' energy: -35.632
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -35.524
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: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -433.914432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.914432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.914432 (E_RNA)
where:
Base-Base interactions energy: -292.296
where: short stacking energy: -129.441
Base-Backbone interact. energy: -0.530
local terms energy: -141.088442
where:
bonds (distance) C4'-P energy: -38.517
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -33.917
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -24.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -300.207756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.207756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.207756 (E_RNA)
where:
Base-Base interactions energy: -171.750
where: short stacking energy: -61.699
Base-Backbone interact. energy: -0.787
local terms energy: -127.670892
where:
bonds (distance) C4'-P energy: -36.131
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -32.213
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -259.505113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.505113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.505113 (E_RNA)
where:
Base-Base interactions energy: -138.981
where: short stacking energy: -76.307
Base-Backbone interact. energy: -0.233
local terms energy: -120.292022
where:
bonds (distance) C4'-P energy: -32.932
bonds (distance) P-C4' energy: -31.195
flat angles C4'-P-C4' energy: -28.767
flat angles P-C4'-P energy: -12.377
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: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -653.587060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.587060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.587060 (E_RNA)
where:
Base-Base interactions energy: -446.802
where: short stacking energy: -194.345
Base-Backbone interact. energy: 1.835
local terms energy: -208.620569
where:
bonds (distance) C4'-P energy: -38.785
bonds (distance) P-C4' energy: -40.128
flat angles C4'-P-C4' energy: -47.741
flat angles P-C4'-P energy: -32.695
tors. eta vs tors. theta energy: -49.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -636.046884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.046884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.046884 (E_RNA)
where:
Base-Base interactions energy: -433.948
where: short stacking energy: -188.092
Base-Backbone interact. energy: -0.779
local terms energy: -201.320019
where:
bonds (distance) C4'-P energy: -37.057
bonds (distance) P-C4' energy: -33.564
flat angles C4'-P-C4' energy: -41.692
flat angles P-C4'-P energy: -30.799
tors. eta vs tors. theta energy: -58.208
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: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -574.935879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.935879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.935879 (E_RNA)
where:
Base-Base interactions energy: -405.531
where: short stacking energy: -140.181
Base-Backbone interact. energy: -0.967
local terms energy: -168.437372
where:
bonds (distance) C4'-P energy: -32.091
bonds (distance) P-C4' energy: -34.280
flat angles C4'-P-C4' energy: -40.214
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -37.593
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: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -589.939761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.939761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.939761 (E_RNA)
where:
Base-Base interactions energy: -404.111
where: short stacking energy: -188.507
Base-Backbone interact. energy: 0.963
local terms energy: -186.791790
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -39.452
flat angles C4'-P-C4' energy: -42.843
flat angles P-C4'-P energy: -21.284
tors. eta vs tors. theta energy: -52.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -568.420872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.420872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.420872 (E_RNA)
where:
Base-Base interactions energy: -391.116
where: short stacking energy: -162.842
Base-Backbone interact. energy: -0.423
local terms energy: -176.881790
where:
bonds (distance) C4'-P energy: -33.785
bonds (distance) P-C4' energy: -37.565
flat angles C4'-P-C4' energy: -38.674
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -46.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -466.461673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.461673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.461673 (E_RNA)
where:
Base-Base interactions energy: -294.484
where: short stacking energy: -130.716
Base-Backbone interact. energy: -0.494
local terms energy: -171.483883
where:
bonds (distance) C4'-P energy: -36.201
bonds (distance) P-C4' energy: -42.936
flat angles C4'-P-C4' energy: -36.399
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -31.978
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: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -456.708279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.708279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.708279 (E_RNA)
where:
Base-Base interactions energy: -297.890
where: short stacking energy: -137.896
Base-Backbone interact. energy: -0.469
local terms energy: -158.349684
where:
bonds (distance) C4'-P energy: -34.687
bonds (distance) P-C4' energy: -35.563
flat angles C4'-P-C4' energy: -30.044
flat angles P-C4'-P energy: -26.290
tors. eta vs tors. theta energy: -31.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -443.146786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.146786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.146786 (E_RNA)
where:
Base-Base interactions energy: -291.708
where: short stacking energy: -122.512
Base-Backbone interact. energy: -0.485
local terms energy: -150.954011
where:
bonds (distance) C4'-P energy: -31.508
bonds (distance) P-C4' energy: -36.449
flat angles C4'-P-C4' energy: -37.111
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -24.491
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: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -277.553815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.553815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.553815 (E_RNA)
where:
Base-Base interactions energy: -135.974
where: short stacking energy: -82.146
Base-Backbone interact. energy: 0.300
local terms energy: -141.879913
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -36.379
flat angles C4'-P-C4' energy: -35.386
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -246.521934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.521934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.521934 (E_RNA)
where:
Base-Base interactions energy: -141.653
where: short stacking energy: -79.170
Base-Backbone interact. energy: 0.351
local terms energy: -105.219486
where:
bonds (distance) C4'-P energy: -36.026
bonds (distance) P-C4' energy: -35.734
flat angles C4'-P-C4' energy: -26.106
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -0.836
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: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -646.921831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.921831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.921831 (E_RNA)
where:
Base-Base interactions energy: -439.737
where: short stacking energy: -178.751
Base-Backbone interact. energy: 0.496
local terms energy: -207.680789
where:
bonds (distance) C4'-P energy: -42.640
bonds (distance) P-C4' energy: -37.800
flat angles C4'-P-C4' energy: -44.318
flat angles P-C4'-P energy: -33.068
tors. eta vs tors. theta energy: -49.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -589.970347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.970347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.970347 (E_RNA)
where:
Base-Base interactions energy: -412.952
where: short stacking energy: -155.373
Base-Backbone interact. energy: 0.268
local terms energy: -177.286791
where:
bonds (distance) C4'-P energy: -35.801
bonds (distance) P-C4' energy: -42.824
flat angles C4'-P-C4' energy: -39.900
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -37.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -640.520964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.520964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.520964 (E_RNA)
where:
Base-Base interactions energy: -439.873
where: short stacking energy: -186.615
Base-Backbone interact. energy: 0.000
local terms energy: -200.647822
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -40.686
flat angles C4'-P-C4' energy: -39.296
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: -58.283
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: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -598.263815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.263815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.263815 (E_RNA)
where:
Base-Base interactions energy: -393.081
where: short stacking energy: -188.111
Base-Backbone interact. energy: -0.197
local terms energy: -204.986104
where:
bonds (distance) C4'-P energy: -36.042
bonds (distance) P-C4' energy: -39.344
flat angles C4'-P-C4' energy: -40.790
flat angles P-C4'-P energy: -28.411
tors. eta vs tors. theta energy: -60.399
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: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -547.728733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.728733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.728733 (E_RNA)
where:
Base-Base interactions energy: -365.605
where: short stacking energy: -172.753
Base-Backbone interact. energy: -0.204
local terms energy: -181.920154
where:
bonds (distance) C4'-P energy: -34.087
bonds (distance) P-C4' energy: -36.315
flat angles C4'-P-C4' energy: -40.975
flat angles P-C4'-P energy: -23.110
tors. eta vs tors. theta energy: -47.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -468.243853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.243853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.243853 (E_RNA)
where:
Base-Base interactions energy: -302.986
where: short stacking energy: -142.401
Base-Backbone interact. energy: -0.782
local terms energy: -164.475579
where:
bonds (distance) C4'-P energy: -29.037
bonds (distance) P-C4' energy: -30.274
flat angles C4'-P-C4' energy: -35.343
flat angles P-C4'-P energy: -25.031
tors. eta vs tors. theta energy: -44.790
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: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -458.323956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.323956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.323956 (E_RNA)
where:
Base-Base interactions energy: -300.627
where: short stacking energy: -131.298
Base-Backbone interact. energy: -0.679
local terms energy: -157.018766
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -34.242
flat angles C4'-P-C4' energy: -34.673
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -29.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -420.476311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.476311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.476311 (E_RNA)
where:
Base-Base interactions energy: -281.031
where: short stacking energy: -122.734
Base-Backbone interact. energy: 0.752
local terms energy: -140.197742
where:
bonds (distance) C4'-P energy: -29.446
bonds (distance) P-C4' energy: -33.096
flat angles C4'-P-C4' energy: -29.344
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -22.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -269.051984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.051984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.051984 (E_RNA)
where:
Base-Base interactions energy: -161.990
where: short stacking energy: -78.106
Base-Backbone interact. energy: 1.575
local terms energy: -108.636619
where:
bonds (distance) C4'-P energy: -29.101
bonds (distance) P-C4' energy: -28.754
flat angles C4'-P-C4' energy: -33.607
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -7.705
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: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -241.751794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.751794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.751794 (E_RNA)
where:
Base-Base interactions energy: -136.111
where: short stacking energy: -59.674
Base-Backbone interact. energy: 0.167
local terms energy: -105.808184
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -35.802
flat angles C4'-P-C4' energy: -34.682
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: 1.094
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: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -673.389360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.389360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.389360 (E_RNA)
where:
Base-Base interactions energy: -464.950
where: short stacking energy: -183.771
Base-Backbone interact. energy: -0.703
local terms energy: -207.736733
where:
bonds (distance) C4'-P energy: -42.342
bonds (distance) P-C4' energy: -42.428
flat angles C4'-P-C4' energy: -41.863
flat angles P-C4'-P energy: -29.406
tors. eta vs tors. theta energy: -51.697
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: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -593.376037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.376037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.376037 (E_RNA)
where:
Base-Base interactions energy: -406.922
where: short stacking energy: -156.788
Base-Backbone interact. energy: -1.826
local terms energy: -184.628384
where:
bonds (distance) C4'-P energy: -34.918
bonds (distance) P-C4' energy: -34.207
flat angles C4'-P-C4' energy: -46.343
flat angles P-C4'-P energy: -26.821
tors. eta vs tors. theta energy: -42.339
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: 458
Temperature: 1.000000
Total energy: -653.600839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.600839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.600839 (E_RNA)
where:
Base-Base interactions energy: -443.258
where: short stacking energy: -192.314
Base-Backbone interact. energy: 0.853
local terms energy: -211.195966
where:
bonds (distance) C4'-P energy: -35.897
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -45.270
flat angles P-C4'-P energy: -32.373
tors. eta vs tors. theta energy: -62.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -611.372675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.372675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.372675 (E_RNA)
where:
Base-Base interactions energy: -406.139
where: short stacking energy: -184.342
Base-Backbone interact. energy: -0.100
local terms energy: -205.133525
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -40.633
flat angles C4'-P-C4' energy: -43.775
flat angles P-C4'-P energy: -29.222
tors. eta vs tors. theta energy: -57.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -545.448543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.448543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.448543 (E_RNA)
where:
Base-Base interactions energy: -350.815
where: short stacking energy: -157.526
Base-Backbone interact. energy: -0.110
local terms energy: -194.523757
where:
bonds (distance) C4'-P energy: -36.464
bonds (distance) P-C4' energy: -40.484
flat angles C4'-P-C4' energy: -41.175
flat angles P-C4'-P energy: -28.482
tors. eta vs tors. theta energy: -47.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -480.484283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.484283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.484283 (E_RNA)
where:
Base-Base interactions energy: -296.831
where: short stacking energy: -133.976
Base-Backbone interact. energy: -1.289
local terms energy: -182.364879
where:
bonds (distance) C4'-P energy: -39.850
bonds (distance) P-C4' energy: -43.444
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -30.358
tors. eta vs tors. theta energy: -32.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -447.211325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.211325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.211325 (E_RNA)
where:
Base-Base interactions energy: -297.059
where: short stacking energy: -125.808
Base-Backbone interact. energy: -0.827
local terms energy: -149.324790
where:
bonds (distance) C4'-P energy: -38.718
bonds (distance) P-C4' energy: -34.086
flat angles C4'-P-C4' energy: -32.715
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -24.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -443.608295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.608295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.608295 (E_RNA)
where:
Base-Base interactions energy: -288.198
where: short stacking energy: -109.666
Base-Backbone interact. energy: -0.439
local terms energy: -154.971362
where:
bonds (distance) C4'-P energy: -24.723
bonds (distance) P-C4' energy: -29.759
flat angles C4'-P-C4' energy: -40.776
flat angles P-C4'-P energy: -25.944
tors. eta vs tors. theta energy: -33.770
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: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -274.224546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.224546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.224546 (E_RNA)
where:
Base-Base interactions energy: -142.653
where: short stacking energy: -85.101
Base-Backbone interact. energy: -0.519
local terms energy: -131.052313
where:
bonds (distance) C4'-P energy: -38.607
bonds (distance) P-C4' energy: -34.537
flat angles C4'-P-C4' energy: -34.182
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -12.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -238.734788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.734788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.734788 (E_RNA)
where:
Base-Base interactions energy: -142.141
where: short stacking energy: -79.532
Base-Backbone interact. energy: -0.345
local terms energy: -96.248532
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -669.929014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.929014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.929014 (E_RNA)
where:
Base-Base interactions energy: -474.658
where: short stacking energy: -184.107
Base-Backbone interact. energy: 0.627
local terms energy: -195.897063
where:
bonds (distance) C4'-P energy: -39.818
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -43.244
flat angles P-C4'-P energy: -32.755
tors. eta vs tors. theta energy: -49.476
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: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -642.969540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.969540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.969540 (E_RNA)
where:
Base-Base interactions energy: -441.026
where: short stacking energy: -193.964
Base-Backbone interact. energy: 0.784
local terms energy: -202.727265
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -35.889
flat angles C4'-P-C4' energy: -45.726
flat angles P-C4'-P energy: -28.155
tors. eta vs tors. theta energy: -61.137
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: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -591.382748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.382748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.382748 (E_RNA)
where:
Base-Base interactions energy: -395.832
where: short stacking energy: -152.868
Base-Backbone interact. energy: -0.132
local terms energy: -195.419003
where:
bonds (distance) C4'-P energy: -39.922
bonds (distance) P-C4' energy: -42.848
flat angles C4'-P-C4' energy: -38.702
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: -47.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -592.315004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.315004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.315004 (E_RNA)
where:
Base-Base interactions energy: -393.622
where: short stacking energy: -193.417
Base-Backbone interact. energy: -0.187
local terms energy: -198.505624
where:
bonds (distance) C4'-P energy: -27.320
bonds (distance) P-C4' energy: -38.388
flat angles C4'-P-C4' energy: -44.328
flat angles P-C4'-P energy: -33.038
tors. eta vs tors. theta energy: -55.432
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: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -584.018246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.018246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.018246 (E_RNA)
where:
Base-Base interactions energy: -383.820
where: short stacking energy: -169.305
Base-Backbone interact. energy: -0.586
local terms energy: -199.612245
where:
bonds (distance) C4'-P energy: -38.325
bonds (distance) P-C4' energy: -39.221
flat angles C4'-P-C4' energy: -40.646
flat angles P-C4'-P energy: -28.269
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: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -465.978318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.978318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.978318 (E_RNA)
where:
Base-Base interactions energy: -307.371
where: short stacking energy: -130.776
Base-Backbone interact. energy: -0.606
local terms energy: -158.001379
where:
bonds (distance) C4'-P energy: -32.745
bonds (distance) P-C4' energy: -41.891
flat angles C4'-P-C4' energy: -30.981
flat angles P-C4'-P energy: -21.508
tors. eta vs tors. theta energy: -30.876
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: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -474.743924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.743924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.743924 (E_RNA)
where:
Base-Base interactions energy: -308.311
where: short stacking energy: -143.788
Base-Backbone interact. energy: 0.942
local terms energy: -167.374630
where:
bonds (distance) C4'-P energy: -31.701
bonds (distance) P-C4' energy: -40.476
flat angles C4'-P-C4' energy: -37.181
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: -35.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -421.461813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.461813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.461813 (E_RNA)
where:
Base-Base interactions energy: -278.610
where: short stacking energy: -118.527
Base-Backbone interact. energy: -1.788
local terms energy: -141.064153
where:
bonds (distance) C4'-P energy: -33.106
bonds (distance) P-C4' energy: -32.791
flat angles C4'-P-C4' energy: -36.384
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -274.126353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.126353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.126353 (E_RNA)
where:
Base-Base interactions energy: -135.214
where: short stacking energy: -78.022
Base-Backbone interact. energy: -0.345
local terms energy: -138.567860
where:
bonds (distance) C4'-P energy: -35.181
bonds (distance) P-C4' energy: -40.490
flat angles C4'-P-C4' energy: -36.268
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: -5.168
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: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -256.760948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.760948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.760948 (E_RNA)
where:
Base-Base interactions energy: -136.909
where: short stacking energy: -70.644
Base-Backbone interact. energy: -0.638
local terms energy: -119.213675
where:
bonds (distance) C4'-P energy: -36.148
bonds (distance) P-C4' energy: -41.542
flat angles C4'-P-C4' energy: -30.223
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: 4.040
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: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -674.884396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.884396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.884396 (E_RNA)
where:
Base-Base interactions energy: -468.636
where: short stacking energy: -186.372
Base-Backbone interact. energy: -0.795
local terms energy: -205.453255
where:
bonds (distance) C4'-P energy: -43.616
bonds (distance) P-C4' energy: -43.156
flat angles C4'-P-C4' energy: -38.845
flat angles P-C4'-P energy: -27.321
tors. eta vs tors. theta energy: -52.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -651.059471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.059471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.059471 (E_RNA)
where:
Base-Base interactions energy: -433.704
where: short stacking energy: -188.310
Base-Backbone interact. energy: -0.115
local terms energy: -217.240498
where:
bonds (distance) C4'-P energy: -44.362
bonds (distance) P-C4' energy: -35.795
flat angles C4'-P-C4' energy: -41.711
flat angles P-C4'-P energy: -34.599
tors. eta vs tors. theta energy: -60.774
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: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -608.971836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.971836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.971836 (E_RNA)
where:
Base-Base interactions energy: -409.015
where: short stacking energy: -197.103
Base-Backbone interact. energy: 0.746
local terms energy: -200.702924
where:
bonds (distance) C4'-P energy: -34.976
bonds (distance) P-C4' energy: -35.922
flat angles C4'-P-C4' energy: -45.472
flat angles P-C4'-P energy: -25.715
tors. eta vs tors. theta energy: -58.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -541.289280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.289280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.289280 (E_RNA)
where:
Base-Base interactions energy: -372.663
where: short stacking energy: -157.204
Base-Backbone interact. energy: -0.333
local terms energy: -168.294240
where:
bonds (distance) C4'-P energy: -32.700
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -42.522
flat angles P-C4'-P energy: -17.862
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: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -574.248369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.248369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.248369 (E_RNA)
where:
Base-Base interactions energy: -383.753
where: short stacking energy: -171.877
Base-Backbone interact. energy: -1.528
local terms energy: -188.967900
where:
bonds (distance) C4'-P energy: -30.666
bonds (distance) P-C4' energy: -36.894
flat angles C4'-P-C4' energy: -46.812
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -47.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -457.749863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.749863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.749863 (E_RNA)
where:
Base-Base interactions energy: -295.278
where: short stacking energy: -132.866
Base-Backbone interact. energy: -0.125
local terms energy: -162.346664
where:
bonds (distance) C4'-P energy: -37.343
bonds (distance) P-C4' energy: -31.202
flat angles C4'-P-C4' energy: -41.375
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -30.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -453.085524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.085524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.085524 (E_RNA)
where:
Base-Base interactions energy: -296.774
where: short stacking energy: -127.052
Base-Backbone interact. energy: 0.057
local terms energy: -156.368623
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -40.278
flat angles C4'-P-C4' energy: -37.343
flat angles P-C4'-P energy: -23.961
tors. eta vs tors. theta energy: -25.799
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: 2
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -426.473120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.473120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.473120 (E_RNA)
where:
Base-Base interactions energy: -276.401
where: short stacking energy: -112.037
Base-Backbone interact. energy: -0.917
local terms energy: -149.154719
where:
bonds (distance) C4'-P energy: -36.290
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -31.582
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -268.952890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.952890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.952890 (E_RNA)
where:
Base-Base interactions energy: -143.616
where: short stacking energy: -82.102
Base-Backbone interact. energy: 1.420
local terms energy: -126.757124
where:
bonds (distance) C4'-P energy: -36.331
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -24.142
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -250.519992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.519992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.519992 (E_RNA)
where:
Base-Base interactions energy: -118.661
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.577
local terms energy: -131.282165
where:
bonds (distance) C4'-P energy: -29.232
bonds (distance) P-C4' energy: -35.450
flat angles C4'-P-C4' energy: -36.012
flat angles P-C4'-P energy: -21.920
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -673.234517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.234517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.234517 (E_RNA)
where:
Base-Base interactions energy: -467.271
where: short stacking energy: -198.242
Base-Backbone interact. energy: -1.318
local terms energy: -204.646263
where:
bonds (distance) C4'-P energy: -33.572
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -45.624
flat angles P-C4'-P energy: -37.444
tors. eta vs tors. theta energy: -54.229
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: 461
Temperature: 0.950000
Total energy: -669.074345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.074345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.074345 (E_RNA)
where:
Base-Base interactions energy: -452.675
where: short stacking energy: -210.456
Base-Backbone interact. energy: -0.162
local terms energy: -216.237609
where:
bonds (distance) C4'-P energy: -44.224
bonds (distance) P-C4' energy: -36.631
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -27.963
tors. eta vs tors. theta energy: -61.078
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: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -601.207395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.207395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.207395 (E_RNA)
where:
Base-Base interactions energy: -397.128
where: short stacking energy: -184.224
Base-Backbone interact. energy: -0.182
local terms energy: -203.897546
where:
bonds (distance) C4'-P energy: -41.563
bonds (distance) P-C4' energy: -34.184
flat angles C4'-P-C4' energy: -42.054
flat angles P-C4'-P energy: -31.008
tors. eta vs tors. theta energy: -55.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -557.815799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.815799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.815799 (E_RNA)
where:
Base-Base interactions energy: -380.087
where: short stacking energy: -157.702
Base-Backbone interact. energy: -0.434
local terms energy: -177.294614
where:
bonds (distance) C4'-P energy: -37.699
bonds (distance) P-C4' energy: -36.346
flat angles C4'-P-C4' energy: -40.608
flat angles P-C4'-P energy: -25.478
tors. eta vs tors. theta energy: -37.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -514.365333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.365333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.365333 (E_RNA)
where:
Base-Base interactions energy: -341.498
where: short stacking energy: -138.527
Base-Backbone interact. energy: -0.884
local terms energy: -171.982655
where:
bonds (distance) C4'-P energy: -36.907
bonds (distance) P-C4' energy: -37.499
flat angles C4'-P-C4' energy: -39.813
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -37.288
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: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -472.797979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.797979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.797979 (E_RNA)
where:
Base-Base interactions energy: -296.160
where: short stacking energy: -134.217
Base-Backbone interact. energy: -0.323
local terms energy: -176.315270
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -38.016
flat angles C4'-P-C4' energy: -38.363
flat angles P-C4'-P energy: -30.439
tors. eta vs tors. theta energy: -33.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -447.032110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.032110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.032110 (E_RNA)
where:
Base-Base interactions energy: -300.155
where: short stacking energy: -135.999
Base-Backbone interact. energy: -1.437
local terms energy: -145.440602
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -42.173
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -30.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -397.549586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.549586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.549586 (E_RNA)
where:
Base-Base interactions energy: -251.127
where: short stacking energy: -119.430
Base-Backbone interact. energy: 2.495
local terms energy: -148.917098
where:
bonds (distance) C4'-P energy: -33.201
bonds (distance) P-C4' energy: -31.893
flat angles C4'-P-C4' energy: -42.032
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: -22.434
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: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -256.499944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.499944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.499944 (E_RNA)
where:
Base-Base interactions energy: -124.829
where: short stacking energy: -67.722
Base-Backbone interact. energy: -1.929
local terms energy: -129.742590
where:
bonds (distance) C4'-P energy: -30.788
bonds (distance) P-C4' energy: -39.842
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -245.977122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.977122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.977122 (E_RNA)
where:
Base-Base interactions energy: -127.512
where: short stacking energy: -70.003
Base-Backbone interact. energy: -0.611
local terms energy: -117.854216
where:
bonds (distance) C4'-P energy: -41.766
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -29.281
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -657.814002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.814002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.814002 (E_RNA)
where:
Base-Base interactions energy: -454.735
where: short stacking energy: -180.626
Base-Backbone interact. energy: -0.666
local terms energy: -202.413303
where:
bonds (distance) C4'-P energy: -42.707
bonds (distance) P-C4' energy: -37.965
flat angles C4'-P-C4' energy: -44.689
flat angles P-C4'-P energy: -34.819
tors. eta vs tors. theta energy: -42.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -644.353860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.353860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.353860 (E_RNA)
where:
Base-Base interactions energy: -433.084
where: short stacking energy: -198.465
Base-Backbone interact. energy: 1.476
local terms energy: -212.745877
where:
bonds (distance) C4'-P energy: -38.470
bonds (distance) P-C4' energy: -37.766
flat angles C4'-P-C4' energy: -46.751
flat angles P-C4'-P energy: -29.359
tors. eta vs tors. theta energy: -60.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -582.638361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.638361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.638361 (E_RNA)
where:
Base-Base interactions energy: -393.202
where: short stacking energy: -181.778
Base-Backbone interact. energy: -0.605
local terms energy: -188.831052
where:
bonds (distance) C4'-P energy: -31.647
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -41.707
flat angles P-C4'-P energy: -27.969
tors. eta vs tors. theta energy: -52.102
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: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -584.323835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.323835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.323835 (E_RNA)
where:
Base-Base interactions energy: -393.755
where: short stacking energy: -186.505
Base-Backbone interact. energy: -0.662
local terms energy: -189.906176
where:
bonds (distance) C4'-P energy: -38.983
bonds (distance) P-C4' energy: -33.517
flat angles C4'-P-C4' energy: -35.855
flat angles P-C4'-P energy: -29.033
tors. eta vs tors. theta energy: -52.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -566.227802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.227802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.227802 (E_RNA)
where:
Base-Base interactions energy: -387.093
where: short stacking energy: -171.720
Base-Backbone interact. energy: -0.172
local terms energy: -178.962602
where:
bonds (distance) C4'-P energy: -32.136
bonds (distance) P-C4' energy: -33.562
flat angles C4'-P-C4' energy: -40.011
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -51.166
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: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -454.111017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.111017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.111017 (E_RNA)
where:
Base-Base interactions energy: -302.061
where: short stacking energy: -132.601
Base-Backbone interact. energy: -0.520
local terms energy: -151.529941
where:
bonds (distance) C4'-P energy: -28.423
bonds (distance) P-C4' energy: -35.140
flat angles C4'-P-C4' energy: -38.051
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -411.266267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.266267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.266267 (E_RNA)
where:
Base-Base interactions energy: -257.693
where: short stacking energy: -108.499
Base-Backbone interact. energy: -0.462
local terms energy: -153.111339
where:
bonds (distance) C4'-P energy: -30.608
bonds (distance) P-C4' energy: -37.508
flat angles C4'-P-C4' energy: -33.117
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -29.520
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: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -439.833991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.833991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.833991 (E_RNA)
where:
Base-Base interactions energy: -283.816
where: short stacking energy: -128.270
Base-Backbone interact. energy: -0.139
local terms energy: -155.878413
where:
bonds (distance) C4'-P energy: -31.902
bonds (distance) P-C4' energy: -33.123
flat angles C4'-P-C4' energy: -41.019
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -29.584
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: 462
Temperature: 1.300000
Total energy: -267.971582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.971582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.971582 (E_RNA)
where:
Base-Base interactions energy: -148.037
where: short stacking energy: -75.553
Base-Backbone interact. energy: -1.095
local terms energy: -118.839238
where:
bonds (distance) C4'-P energy: -29.394
bonds (distance) P-C4' energy: -35.355
flat angles C4'-P-C4' energy: -27.199
flat angles P-C4'-P energy: -23.624
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: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -245.125793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.125793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.125793 (E_RNA)
where:
Base-Base interactions energy: -135.324
where: short stacking energy: -74.470
Base-Backbone interact. energy: -1.934
local terms energy: -107.868197
where:
bonds (distance) C4'-P energy: -33.528
bonds (distance) P-C4' energy: -35.155
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -13.014
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: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -660.477635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.477635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.477635 (E_RNA)
where:
Base-Base interactions energy: -456.165
where: short stacking energy: -189.911
Base-Backbone interact. energy: -0.576
local terms energy: -203.737331
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -40.755
flat angles C4'-P-C4' energy: -42.531
flat angles P-C4'-P energy: -34.240
tors. eta vs tors. theta energy: -52.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -640.498121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.498121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.498121 (E_RNA)
where:
Base-Base interactions energy: -430.324
where: short stacking energy: -190.111
Base-Backbone interact. energy: -0.624
local terms energy: -209.550364
where:
bonds (distance) C4'-P energy: -37.058
bonds (distance) P-C4' energy: -42.285
flat angles C4'-P-C4' energy: -42.990
flat angles P-C4'-P energy: -30.612
tors. eta vs tors. theta energy: -56.605
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: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -591.304081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.304081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.304081 (E_RNA)
where:
Base-Base interactions energy: -394.813
where: short stacking energy: -169.071
Base-Backbone interact. energy: -0.028
local terms energy: -196.462968
where:
bonds (distance) C4'-P energy: -43.771
bonds (distance) P-C4' energy: -37.440
flat angles C4'-P-C4' energy: -37.413
flat angles P-C4'-P energy: -29.975
tors. eta vs tors. theta energy: -47.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -572.157578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.157578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.157578 (E_RNA)
where:
Base-Base interactions energy: -388.431
where: short stacking energy: -161.937
Base-Backbone interact. energy: -0.356
local terms energy: -183.370951
where:
bonds (distance) C4'-P energy: -39.095
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -28.062
tors. eta vs tors. theta energy: -51.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -556.489977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.489977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.489977 (E_RNA)
where:
Base-Base interactions energy: -367.250
where: short stacking energy: -170.318
Base-Backbone interact. energy: -0.479
local terms energy: -188.760521
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -38.032
flat angles C4'-P-C4' energy: -38.616
flat angles P-C4'-P energy: -31.455
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: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -475.517375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.517375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.517375 (E_RNA)
where:
Base-Base interactions energy: -300.836
where: short stacking energy: -135.485
Base-Backbone interact. energy: -0.560
local terms energy: -174.121144
where:
bonds (distance) C4'-P energy: -34.363
bonds (distance) P-C4' energy: -39.351
flat angles C4'-P-C4' energy: -36.926
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -32.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -409.171542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.171542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.171542 (E_RNA)
where:
Base-Base interactions energy: -249.805
where: short stacking energy: -115.500
Base-Backbone interact. energy: 0.203
local terms energy: -159.569325
where:
bonds (distance) C4'-P energy: -32.478
bonds (distance) P-C4' energy: -39.174
flat angles C4'-P-C4' energy: -36.340
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -30.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -442.721931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.721931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.721931 (E_RNA)
where:
Base-Base interactions energy: -311.245
where: short stacking energy: -124.555
Base-Backbone interact. energy: 3.030
local terms energy: -134.507231
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -30.450
flat angles C4'-P-C4' energy: -35.796
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -251.733100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.733100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.733100 (E_RNA)
where:
Base-Base interactions energy: -138.442
where: short stacking energy: -80.770
Base-Backbone interact. energy: -0.436
local terms energy: -112.854902
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -40.821
flat angles C4'-P-C4' energy: -27.397
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -257.330938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.330938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.330938 (E_RNA)
where:
Base-Base interactions energy: -141.577
where: short stacking energy: -90.781
Base-Backbone interact. energy: -0.354
local terms energy: -115.400104
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -37.666
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -11.141
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: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -656.723658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.723658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.723658 (E_RNA)
where:
Base-Base interactions energy: -455.365
where: short stacking energy: -193.754
Base-Backbone interact. energy: 1.866
local terms energy: -203.224493
where:
bonds (distance) C4'-P energy: -41.444
bonds (distance) P-C4' energy: -39.708
flat angles C4'-P-C4' energy: -35.990
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: -58.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -638.132818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.132818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.132818 (E_RNA)
where:
Base-Base interactions energy: -445.911
where: short stacking energy: -183.485
Base-Backbone interact. energy: -0.506
local terms energy: -191.715174
where:
bonds (distance) C4'-P energy: -36.978
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -42.660
flat angles P-C4'-P energy: -31.790
tors. eta vs tors. theta energy: -45.721
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: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -586.222935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.222935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.222935 (E_RNA)
where:
Base-Base interactions energy: -387.935
where: short stacking energy: -171.081
Base-Backbone interact. energy: -0.539
local terms energy: -197.748702
where:
bonds (distance) C4'-P energy: -36.763
bonds (distance) P-C4' energy: -35.678
flat angles C4'-P-C4' energy: -43.134
flat angles P-C4'-P energy: -31.840
tors. eta vs tors. theta energy: -50.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -575.388193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.388193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.388193 (E_RNA)
where:
Base-Base interactions energy: -384.775
where: short stacking energy: -175.989
Base-Backbone interact. energy: -0.537
local terms energy: -190.076557
where:
bonds (distance) C4'-P energy: -34.638
bonds (distance) P-C4' energy: -43.376
flat angles C4'-P-C4' energy: -40.457
flat angles P-C4'-P energy: -21.564
tors. eta vs tors. theta energy: -50.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -506.207502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.207502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.207502 (E_RNA)
where:
Base-Base interactions energy: -330.738
where: short stacking energy: -162.038
Base-Backbone interact. energy: -0.322
local terms energy: -175.148020
where:
bonds (distance) C4'-P energy: -43.214
bonds (distance) P-C4' energy: -34.722
flat angles C4'-P-C4' energy: -30.032
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -47.577
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: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -452.811022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.811022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.811022 (E_RNA)
where:
Base-Base interactions energy: -300.850
where: short stacking energy: -133.169
Base-Backbone interact. energy: -0.686
local terms energy: -151.274769
where:
bonds (distance) C4'-P energy: -31.010
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -38.039
flat angles P-C4'-P energy: -23.069
tors. eta vs tors. theta energy: -25.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -443.376549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.376549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.376549 (E_RNA)
where:
Base-Base interactions energy: -302.345
where: short stacking energy: -143.460
Base-Backbone interact. energy: -0.292
local terms energy: -140.739159
where:
bonds (distance) C4'-P energy: -29.343
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -36.206
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -28.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -407.587952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.587952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.587952 (E_RNA)
where:
Base-Base interactions energy: -251.922
where: short stacking energy: -113.721
Base-Backbone interact. energy: -0.406
local terms energy: -155.260613
where:
bonds (distance) C4'-P energy: -37.511
bonds (distance) P-C4' energy: -36.791
flat angles C4'-P-C4' energy: -35.520
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -249.292795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.292795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.292795 (E_RNA)
where:
Base-Base interactions energy: -128.515
where: short stacking energy: -76.813
Base-Backbone interact. energy: 2.049
local terms energy: -122.826884
where:
bonds (distance) C4'-P energy: -32.878
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -11.354
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: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -253.477578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.477578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.477578 (E_RNA)
where:
Base-Base interactions energy: -124.089
where: short stacking energy: -67.170
Base-Backbone interact. energy: -0.617
local terms energy: -128.771780
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -41.451
flat angles C4'-P-C4' energy: -36.571
flat angles P-C4'-P energy: -28.103
tors. eta vs tors. theta energy: 2.286
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: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -671.268836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.268836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.268836 (E_RNA)
where:
Base-Base interactions energy: -456.085
where: short stacking energy: -192.701
Base-Backbone interact. energy: -0.395
local terms energy: -214.789351
where:
bonds (distance) C4'-P energy: -43.082
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -46.873
flat angles P-C4'-P energy: -29.847
tors. eta vs tors. theta energy: -57.383
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: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -612.831070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.831070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.831070 (E_RNA)
where:
Base-Base interactions energy: -406.764
where: short stacking energy: -179.269
Base-Backbone interact. energy: -0.065
local terms energy: -206.002106
where:
bonds (distance) C4'-P energy: -44.184
bonds (distance) P-C4' energy: -33.842
flat angles C4'-P-C4' energy: -40.070
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -57.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -646.076130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.076130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.076130 (E_RNA)
where:
Base-Base interactions energy: -445.794
where: short stacking energy: -189.160
Base-Backbone interact. energy: -0.404
local terms energy: -199.877751
where:
bonds (distance) C4'-P energy: -43.891
bonds (distance) P-C4' energy: -34.583
flat angles C4'-P-C4' energy: -40.393
flat angles P-C4'-P energy: -27.968
tors. eta vs tors. theta energy: -53.043
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: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -571.305059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.305059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.305059 (E_RNA)
where:
Base-Base interactions energy: -375.848
where: short stacking energy: -171.645
Base-Backbone interact. energy: -1.174
local terms energy: -194.283390
where:
bonds (distance) C4'-P energy: -34.645
bonds (distance) P-C4' energy: -37.456
flat angles C4'-P-C4' energy: -38.561
flat angles P-C4'-P energy: -34.373
tors. eta vs tors. theta energy: -49.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -497.461032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.461032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.461032 (E_RNA)
where:
Base-Base interactions energy: -321.618
where: short stacking energy: -158.346
Base-Backbone interact. energy: -0.470
local terms energy: -175.373802
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -43.551
flat angles C4'-P-C4' energy: -36.148
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -35.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -470.815322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.815322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.815322 (E_RNA)
where:
Base-Base interactions energy: -303.171
where: short stacking energy: -134.068
Base-Backbone interact. energy: -0.882
local terms energy: -166.762004
where:
bonds (distance) C4'-P energy: -35.817
bonds (distance) P-C4' energy: -36.971
flat angles C4'-P-C4' energy: -35.050
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -36.408
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: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -469.881758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.881758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.881758 (E_RNA)
where:
Base-Base interactions energy: -302.427
where: short stacking energy: -137.334
Base-Backbone interact. energy: -0.174
local terms energy: -167.281030
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -36.573
flat angles P-C4'-P energy: -29.044
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: 8, replica: 2
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -409.665776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.665776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.665776 (E_RNA)
where:
Base-Base interactions energy: -262.695
where: short stacking energy: -128.193
Base-Backbone interact. energy: -0.448
local terms energy: -146.523135
where:
bonds (distance) C4'-P energy: -27.047
bonds (distance) P-C4' energy: -32.873
flat angles C4'-P-C4' energy: -35.120
flat angles P-C4'-P energy: -24.896
tors. eta vs tors. theta energy: -26.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -261.106995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.106995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.106995 (E_RNA)
where:
Base-Base interactions energy: -135.027
where: short stacking energy: -82.938
Base-Backbone interact. energy: -0.327
local terms energy: -125.753187
where:
bonds (distance) C4'-P energy: -32.413
bonds (distance) P-C4' energy: -38.795
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -12.802
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: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -256.761797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.761797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.761797 (E_RNA)
where:
Base-Base interactions energy: -138.620
where: short stacking energy: -76.807
Base-Backbone interact. energy: 1.411
local terms energy: -119.553320
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -35.685
flat angles C4'-P-C4' energy: -34.404
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -9.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -657.736290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.736290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.736290 (E_RNA)
where:
Base-Base interactions energy: -442.374
where: short stacking energy: -198.853
Base-Backbone interact. energy: -0.605
local terms energy: -214.757932
where:
bonds (distance) C4'-P energy: -39.388
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -46.795
flat angles P-C4'-P energy: -34.806
tors. eta vs tors. theta energy: -56.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -621.227458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.227458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.227458 (E_RNA)
where:
Base-Base interactions energy: -426.136
where: short stacking energy: -184.644
Base-Backbone interact. energy: -0.919
local terms energy: -194.172658
where:
bonds (distance) C4'-P energy: -42.819
bonds (distance) P-C4' energy: -31.291
flat angles C4'-P-C4' energy: -37.746
flat angles P-C4'-P energy: -30.203
tors. eta vs tors. theta energy: -52.115
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: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -626.225070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.225070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.225070 (E_RNA)
where:
Base-Base interactions energy: -439.601
where: short stacking energy: -171.274
Base-Backbone interact. energy: -1.023
local terms energy: -185.601295
where:
bonds (distance) C4'-P energy: -37.968
bonds (distance) P-C4' energy: -37.970
flat angles C4'-P-C4' energy: -38.886
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: -46.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -582.809100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.809100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.809100 (E_RNA)
where:
Base-Base interactions energy: -387.771
where: short stacking energy: -185.793
Base-Backbone interact. energy: -0.976
local terms energy: -194.061626
where:
bonds (distance) C4'-P energy: -37.885
bonds (distance) P-C4' energy: -34.286
flat angles C4'-P-C4' energy: -39.524
flat angles P-C4'-P energy: -27.562
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: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -507.498977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.498977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.498977 (E_RNA)
where:
Base-Base interactions energy: -331.604
where: short stacking energy: -158.946
Base-Backbone interact. energy: 0.041
local terms energy: -175.936650
where:
bonds (distance) C4'-P energy: -30.251
bonds (distance) P-C4' energy: -37.657
flat angles C4'-P-C4' energy: -38.253
flat angles P-C4'-P energy: -27.850
tors. eta vs tors. theta energy: -41.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -513.535607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.535607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.535607 (E_RNA)
where:
Base-Base interactions energy: -330.310
where: short stacking energy: -154.620
Base-Backbone interact. energy: -0.859
local terms energy: -182.366051
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -40.418
flat angles C4'-P-C4' energy: -39.741
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -41.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -451.004357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.004357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.004357 (E_RNA)
where:
Base-Base interactions energy: -281.673
where: short stacking energy: -135.840
Base-Backbone interact. energy: 3.755
local terms energy: -173.085741
where:
bonds (distance) C4'-P energy: -35.912
bonds (distance) P-C4' energy: -41.232
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -38.180
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: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -432.048611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.048611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.048611 (E_RNA)
where:
Base-Base interactions energy: -285.190
where: short stacking energy: -135.130
Base-Backbone interact. energy: 0.420
local terms energy: -147.278150
where:
bonds (distance) C4'-P energy: -37.365
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: -28.600
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: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -274.681532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.681532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.681532 (E_RNA)
where:
Base-Base interactions energy: -137.268
where: short stacking energy: -77.284
Base-Backbone interact. energy: 0.934
local terms energy: -138.347669
where:
bonds (distance) C4'-P energy: -29.175
bonds (distance) P-C4' energy: -39.125
flat angles C4'-P-C4' energy: -29.482
flat angles P-C4'-P energy: -30.832
tors. eta vs tors. theta energy: -9.734
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: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -248.655987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.655987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.655987 (E_RNA)
where:
Base-Base interactions energy: -140.912
where: short stacking energy: -73.097
Base-Backbone interact. energy: 1.000
local terms energy: -108.744606
where:
bonds (distance) C4'-P energy: -33.963
bonds (distance) P-C4' energy: -28.329
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -660.506081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.506081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.506081 (E_RNA)
where:
Base-Base interactions energy: -447.092
where: short stacking energy: -198.266
Base-Backbone interact. energy: -0.958
local terms energy: -212.455977
where:
bonds (distance) C4'-P energy: -38.767
bonds (distance) P-C4' energy: -42.609
flat angles C4'-P-C4' energy: -44.928
flat angles P-C4'-P energy: -28.276
tors. eta vs tors. theta energy: -57.877
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: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -652.884879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.884879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.884879 (E_RNA)
where:
Base-Base interactions energy: -461.001
where: short stacking energy: -188.925
Base-Backbone interact. energy: -0.110
local terms energy: -191.773695
where:
bonds (distance) C4'-P energy: -32.025
bonds (distance) P-C4' energy: -34.356
flat angles C4'-P-C4' energy: -44.893
flat angles P-C4'-P energy: -28.295
tors. eta vs tors. theta energy: -52.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -607.586092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.586092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.586092 (E_RNA)
where:
Base-Base interactions energy: -417.960
where: short stacking energy: -176.852
Base-Backbone interact. energy: 0.714
local terms energy: -190.339132
where:
bonds (distance) C4'-P energy: -36.268
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -35.860
flat angles P-C4'-P energy: -33.615
tors. eta vs tors. theta energy: -49.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -584.973369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.973369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.973369 (E_RNA)
where:
Base-Base interactions energy: -410.782
where: short stacking energy: -167.243
Base-Backbone interact. energy: 0.354
local terms energy: -174.545814
where:
bonds (distance) C4'-P energy: -30.104
bonds (distance) P-C4' energy: -41.774
flat angles C4'-P-C4' energy: -38.189
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: -44.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -513.740791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.740791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.740791 (E_RNA)
where:
Base-Base interactions energy: -339.642
where: short stacking energy: -156.906
Base-Backbone interact. energy: -0.796
local terms energy: -173.303570
where:
bonds (distance) C4'-P energy: -32.740
bonds (distance) P-C4' energy: -35.834
flat angles C4'-P-C4' energy: -37.961
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: -42.081
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: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -480.795310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.795310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.795310 (E_RNA)
where:
Base-Base interactions energy: -313.991
where: short stacking energy: -140.611
Base-Backbone interact. energy: 1.784
local terms energy: -168.588068
where:
bonds (distance) C4'-P energy: -31.310
bonds (distance) P-C4' energy: -36.445
flat angles C4'-P-C4' energy: -40.312
flat angles P-C4'-P energy: -26.066
tors. eta vs tors. theta energy: -34.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -415.776264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.776264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.776264 (E_RNA)
where:
Base-Base interactions energy: -256.797
where: short stacking energy: -105.400
Base-Backbone interact. energy: -0.553
local terms energy: -158.426195
where:
bonds (distance) C4'-P energy: -37.169
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -26.436
tors. eta vs tors. theta energy: -23.856
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: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -430.941379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.941379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.941379 (E_RNA)
where:
Base-Base interactions energy: -290.275
where: short stacking energy: -127.945
Base-Backbone interact. energy: -0.606
local terms energy: -140.060142
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -32.289
flat angles P-C4'-P energy: -22.665
tors. eta vs tors. theta energy: -30.278
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: 467
Temperature: 1.300000
Total energy: -284.994375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.994375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.994375 (E_RNA)
where:
Base-Base interactions energy: -148.499
where: short stacking energy: -90.164
Base-Backbone interact. energy: 0.150
local terms energy: -136.645467
where:
bonds (distance) C4'-P energy: -27.709
bonds (distance) P-C4' energy: -26.806
flat angles C4'-P-C4' energy: -36.579
flat angles P-C4'-P energy: -26.629
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -266.621910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.621910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.621910 (E_RNA)
where:
Base-Base interactions energy: -143.355
where: short stacking energy: -80.509
Base-Backbone interact. energy: 0.542
local terms energy: -123.808893
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -36.014
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -667.408249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.408249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.408249 (E_RNA)
where:
Base-Base interactions energy: -469.407
where: short stacking energy: -190.266
Base-Backbone interact. energy: 1.448
local terms energy: -199.449213
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -38.332
flat angles C4'-P-C4' energy: -45.732
flat angles P-C4'-P energy: -32.291
tors. eta vs tors. theta energy: -51.514
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: 468
Temperature: 0.950000
Total energy: -649.882031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.882031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.882031 (E_RNA)
where:
Base-Base interactions energy: -435.168
where: short stacking energy: -193.430
Base-Backbone interact. energy: -1.133
local terms energy: -213.581545
where:
bonds (distance) C4'-P energy: -40.952
bonds (distance) P-C4' energy: -39.892
flat angles C4'-P-C4' energy: -43.058
flat angles P-C4'-P energy: -30.819
tors. eta vs tors. theta energy: -58.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -611.558412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.558412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.558412 (E_RNA)
where:
Base-Base interactions energy: -411.907
where: short stacking energy: -187.349
Base-Backbone interact. energy: -0.879
local terms energy: -198.773033
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -37.634
flat angles C4'-P-C4' energy: -41.322
flat angles P-C4'-P energy: -32.110
tors. eta vs tors. theta energy: -56.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -569.101526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.101526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.101526 (E_RNA)
where:
Base-Base interactions energy: -371.342
where: short stacking energy: -169.228
Base-Backbone interact. energy: -0.474
local terms energy: -197.285177
where:
bonds (distance) C4'-P energy: -35.107
bonds (distance) P-C4' energy: -32.685
flat angles C4'-P-C4' energy: -45.176
flat angles P-C4'-P energy: -31.700
tors. eta vs tors. theta energy: -52.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -493.636624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.636624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.636624 (E_RNA)
where:
Base-Base interactions energy: -331.175
where: short stacking energy: -140.421
Base-Backbone interact. energy: -0.168
local terms energy: -162.292846
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -37.499
flat angles C4'-P-C4' energy: -36.519
flat angles P-C4'-P energy: -27.821
tors. eta vs tors. theta energy: -30.608
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: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -488.902817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.902817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.902817 (E_RNA)
where:
Base-Base interactions energy: -326.511
where: short stacking energy: -147.758
Base-Backbone interact. energy: -0.396
local terms energy: -161.996157
where:
bonds (distance) C4'-P energy: -36.784
bonds (distance) P-C4' energy: -32.162
flat angles C4'-P-C4' energy: -32.754
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -39.196
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: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -438.767733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.767733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.767733 (E_RNA)
where:
Base-Base interactions energy: -285.211
where: short stacking energy: -138.128
Base-Backbone interact. energy: -0.432
local terms energy: -153.124926
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -30.846
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -24.893
tors. eta vs tors. theta energy: -41.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -421.069441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.069441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.069441 (E_RNA)
where:
Base-Base interactions energy: -268.609
where: short stacking energy: -123.261
Base-Backbone interact. energy: -0.219
local terms energy: -152.241554
where:
bonds (distance) C4'-P energy: -28.216
bonds (distance) P-C4' energy: -35.103
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -35.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -251.275521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.275521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.275521 (E_RNA)
where:
Base-Base interactions energy: -134.515
where: short stacking energy: -69.576
Base-Backbone interact. energy: -0.039
local terms energy: -116.721291
where:
bonds (distance) C4'-P energy: -33.971
bonds (distance) P-C4' energy: -31.694
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -17.471
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: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -249.922727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.922727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.922727 (E_RNA)
where:
Base-Base interactions energy: -127.164
where: short stacking energy: -69.827
Base-Backbone interact. energy: 1.240
local terms energy: -123.999039
where:
bonds (distance) C4'-P energy: -32.456
bonds (distance) P-C4' energy: -33.690
flat angles C4'-P-C4' energy: -34.699
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -7.638
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: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -672.366168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.366168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.366168 (E_RNA)
where:
Base-Base interactions energy: -476.935
where: short stacking energy: -192.941
Base-Backbone interact. energy: -0.633
local terms energy: -194.798814
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -40.340
flat angles C4'-P-C4' energy: -40.443
flat angles P-C4'-P energy: -30.767
tors. eta vs tors. theta energy: -49.546
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: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -656.618887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.618887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.618887 (E_RNA)
where:
Base-Base interactions energy: -442.875
where: short stacking energy: -189.902
Base-Backbone interact. energy: -0.104
local terms energy: -213.640632
where:
bonds (distance) C4'-P energy: -37.887
bonds (distance) P-C4' energy: -43.635
flat angles C4'-P-C4' energy: -43.129
flat angles P-C4'-P energy: -30.824
tors. eta vs tors. theta energy: -58.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -618.090302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.090302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.090302 (E_RNA)
where:
Base-Base interactions energy: -423.827
where: short stacking energy: -176.302
Base-Backbone interact. energy: -0.853
local terms energy: -193.410527
where:
bonds (distance) C4'-P energy: -38.796
bonds (distance) P-C4' energy: -36.790
flat angles C4'-P-C4' energy: -40.452
flat angles P-C4'-P energy: -26.091
tors. eta vs tors. theta energy: -51.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -576.278741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.278741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.278741 (E_RNA)
where:
Base-Base interactions energy: -382.606
where: short stacking energy: -162.640
Base-Backbone interact. energy: 0.472
local terms energy: -194.144865
where:
bonds (distance) C4'-P energy: -40.888
bonds (distance) P-C4' energy: -41.187
flat angles C4'-P-C4' energy: -39.515
flat angles P-C4'-P energy: -23.074
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: 5, replica: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -509.001352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.001352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.001352 (E_RNA)
where:
Base-Base interactions energy: -350.107
where: short stacking energy: -156.135
Base-Backbone interact. energy: 0.994
local terms energy: -159.888444
where:
bonds (distance) C4'-P energy: -26.726
bonds (distance) P-C4' energy: -35.428
flat angles C4'-P-C4' energy: -36.211
flat angles P-C4'-P energy: -24.628
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: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -500.613352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.613352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.613352 (E_RNA)
where:
Base-Base interactions energy: -333.309
where: short stacking energy: -160.232
Base-Backbone interact. energy: -0.169
local terms energy: -167.135674
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -36.644
flat angles C4'-P-C4' energy: -40.148
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -40.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -442.132713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.132713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.132713 (E_RNA)
where:
Base-Base interactions energy: -294.409
where: short stacking energy: -129.084
Base-Backbone interact. energy: 1.121
local terms energy: -148.843976
where:
bonds (distance) C4'-P energy: -33.664
bonds (distance) P-C4' energy: -30.865
flat angles C4'-P-C4' energy: -33.480
flat angles P-C4'-P energy: -22.892
tors. eta vs tors. theta energy: -27.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -384.250114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.250114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.250114 (E_RNA)
where:
Base-Base interactions energy: -239.515
where: short stacking energy: -108.143
Base-Backbone interact. energy: -0.282
local terms energy: -144.453278
where:
bonds (distance) C4'-P energy: -38.406
bonds (distance) P-C4' energy: -30.492
flat angles C4'-P-C4' energy: -32.126
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -23.753
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: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -268.987070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.987070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.987070 (E_RNA)
where:
Base-Base interactions energy: -167.006
where: short stacking energy: -86.461
Base-Backbone interact. energy: -1.296
local terms energy: -100.685462
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -27.733
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -6.515
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: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -279.824348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.824348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.824348 (E_RNA)
where:
Base-Base interactions energy: -144.446
where: short stacking energy: -80.459
Base-Backbone interact. energy: 1.174
local terms energy: -136.552722
where:
bonds (distance) C4'-P energy: -34.305
bonds (distance) P-C4' energy: -36.416
flat angles C4'-P-C4' energy: -28.774
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -677.130671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.130671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.130671 (E_RNA)
where:
Base-Base interactions energy: -477.032
where: short stacking energy: -201.814
Base-Backbone interact. energy: -0.256
local terms energy: -199.842792
where:
bonds (distance) C4'-P energy: -36.926
bonds (distance) P-C4' energy: -35.358
flat angles C4'-P-C4' energy: -43.010
flat angles P-C4'-P energy: -31.762
tors. eta vs tors. theta energy: -52.786
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: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -644.698309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.698309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.698309 (E_RNA)
where:
Base-Base interactions energy: -443.282
where: short stacking energy: -192.211
Base-Backbone interact. energy: -0.653
local terms energy: -200.763179
where:
bonds (distance) C4'-P energy: -32.464
bonds (distance) P-C4' energy: -32.559
flat angles C4'-P-C4' energy: -46.151
flat angles P-C4'-P energy: -29.503
tors. eta vs tors. theta energy: -60.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -603.020517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.020517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.020517 (E_RNA)
where:
Base-Base interactions energy: -400.229
where: short stacking energy: -177.536
Base-Backbone interact. energy: -0.267
local terms energy: -202.524624
where:
bonds (distance) C4'-P energy: -37.791
bonds (distance) P-C4' energy: -35.421
flat angles C4'-P-C4' energy: -45.370
flat angles P-C4'-P energy: -30.042
tors. eta vs tors. theta energy: -53.900
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: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -606.552183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.552183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.552183 (E_RNA)
where:
Base-Base interactions energy: -420.717
where: short stacking energy: -190.589
Base-Backbone interact. energy: -0.116
local terms energy: -185.719967
where:
bonds (distance) C4'-P energy: -32.739
bonds (distance) P-C4' energy: -30.797
flat angles C4'-P-C4' energy: -41.497
flat angles P-C4'-P energy: -24.121
tors. eta vs tors. theta energy: -56.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -497.963428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.963428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.963428 (E_RNA)
where:
Base-Base interactions energy: -338.148
where: short stacking energy: -160.332
Base-Backbone interact. energy: 1.695
local terms energy: -161.510275
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -35.515
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -42.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -464.409384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.409384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.409384 (E_RNA)
where:
Base-Base interactions energy: -310.415
where: short stacking energy: -141.060
Base-Backbone interact. energy: 0.358
local terms energy: -154.351920
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -46.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -394.975835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.975835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.975835 (E_RNA)
where:
Base-Base interactions energy: -242.796
where: short stacking energy: -105.275
Base-Backbone interact. energy: -0.169
local terms energy: -152.011422
where:
bonds (distance) C4'-P energy: -33.743
bonds (distance) P-C4' energy: -39.149
flat angles C4'-P-C4' energy: -35.313
flat angles P-C4'-P energy: -23.665
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -428.937967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.937967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.937967 (E_RNA)
where:
Base-Base interactions energy: -284.643
where: short stacking energy: -108.982
Base-Backbone interact. energy: -0.909
local terms energy: -143.385877
where:
bonds (distance) C4'-P energy: -37.912
bonds (distance) P-C4' energy: -33.070
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -23.809
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -281.320556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.320556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.320556 (E_RNA)
where:
Base-Base interactions energy: -142.047
where: short stacking energy: -77.152
Base-Backbone interact. energy: -0.079
local terms energy: -139.194727
where:
bonds (distance) C4'-P energy: -35.307
bonds (distance) P-C4' energy: -33.000
flat angles C4'-P-C4' energy: -34.932
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -266.090162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.090162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.090162 (E_RNA)
where:
Base-Base interactions energy: -151.016
where: short stacking energy: -83.973
Base-Backbone interact. energy: 4.174
local terms energy: -119.248845
where:
bonds (distance) C4'-P energy: -33.040
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -31.751
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -686.117782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.117782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.117782 (E_RNA)
where:
Base-Base interactions energy: -483.144
where: short stacking energy: -200.678
Base-Backbone interact. energy: -0.055
local terms energy: -202.919346
where:
bonds (distance) C4'-P energy: -32.831
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -41.148
flat angles P-C4'-P energy: -30.667
tors. eta vs tors. theta energy: -58.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -641.241179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.241179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.241179 (E_RNA)
where:
Base-Base interactions energy: -428.788
where: short stacking energy: -182.870
Base-Backbone interact. energy: -0.276
local terms energy: -212.176918
where:
bonds (distance) C4'-P energy: -38.425
bonds (distance) P-C4' energy: -40.780
flat angles C4'-P-C4' energy: -44.927
flat angles P-C4'-P energy: -30.187
tors. eta vs tors. theta energy: -57.858
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: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -576.059727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.059727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.059727 (E_RNA)
where:
Base-Base interactions energy: -381.792
where: short stacking energy: -164.348
Base-Backbone interact. energy: -0.503
local terms energy: -193.765392
where:
bonds (distance) C4'-P energy: -37.029
bonds (distance) P-C4' energy: -44.358
flat angles C4'-P-C4' energy: -41.714
flat angles P-C4'-P energy: -22.118
tors. eta vs tors. theta energy: -48.547
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: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -616.071896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.071896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.071896 (E_RNA)
where:
Base-Base interactions energy: -422.032
where: short stacking energy: -188.022
Base-Backbone interact. energy: -0.192
local terms energy: -193.847535
where:
bonds (distance) C4'-P energy: -29.377
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -45.447
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -59.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -501.366730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.366730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.366730 (E_RNA)
where:
Base-Base interactions energy: -318.743
where: short stacking energy: -161.989
Base-Backbone interact. energy: -0.177
local terms energy: -182.446595
where:
bonds (distance) C4'-P energy: -28.160
bonds (distance) P-C4' energy: -43.589
flat angles C4'-P-C4' energy: -37.492
flat angles P-C4'-P energy: -33.126
tors. eta vs tors. theta energy: -40.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -480.317133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.317133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.317133 (E_RNA)
where:
Base-Base interactions energy: -311.130
where: short stacking energy: -150.068
Base-Backbone interact. energy: -0.214
local terms energy: -168.973074
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -36.346
flat angles C4'-P-C4' energy: -42.428
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -32.563
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: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -382.956825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.956825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.956825 (E_RNA)
where:
Base-Base interactions energy: -244.476
where: short stacking energy: -117.822
Base-Backbone interact. energy: -1.295
local terms energy: -137.185205
where:
bonds (distance) C4'-P energy: -28.952
bonds (distance) P-C4' energy: -35.659
flat angles C4'-P-C4' energy: -36.249
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -18.363
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: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -448.344345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.344345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.344345 (E_RNA)
where:
Base-Base interactions energy: -308.900
where: short stacking energy: -130.848
Base-Backbone interact. energy: -1.323
local terms energy: -138.121853
where:
bonds (distance) C4'-P energy: -26.262
bonds (distance) P-C4' energy: -34.187
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -23.839
tors. eta vs tors. theta energy: -27.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -268.129978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.129978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.129978 (E_RNA)
where:
Base-Base interactions energy: -133.570
where: short stacking energy: -71.278
Base-Backbone interact. energy: -0.384
local terms energy: -134.176363
where:
bonds (distance) C4'-P energy: -36.601
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -37.889
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -269.765026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.765026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.765026 (E_RNA)
where:
Base-Base interactions energy: -132.526
where: short stacking energy: -69.648
Base-Backbone interact. energy: -1.137
local terms energy: -136.101342
where:
bonds (distance) C4'-P energy: -37.190
bonds (distance) P-C4' energy: -28.220
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -30.500
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -679.956439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.956439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.956439 (E_RNA)
where:
Base-Base interactions energy: -470.882
where: short stacking energy: -198.248
Base-Backbone interact. energy: -1.366
local terms energy: -207.708566
where:
bonds (distance) C4'-P energy: -42.493
bonds (distance) P-C4' energy: -42.978
flat angles C4'-P-C4' energy: -45.444
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: -53.059
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: 472
Temperature: 0.950000
Total energy: -656.156392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.156392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.156392 (E_RNA)
where:
Base-Base interactions energy: -452.917
where: short stacking energy: -196.698
Base-Backbone interact. energy: 0.049
local terms energy: -203.288374
where:
bonds (distance) C4'-P energy: -34.459
bonds (distance) P-C4' energy: -36.728
flat angles C4'-P-C4' energy: -41.565
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: -63.623
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: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -601.399052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.399052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.399052 (E_RNA)
where:
Base-Base interactions energy: -401.929
where: short stacking energy: -190.688
Base-Backbone interact. energy: 0.677
local terms energy: -200.147109
where:
bonds (distance) C4'-P energy: -35.843
bonds (distance) P-C4' energy: -34.960
flat angles C4'-P-C4' energy: -39.171
flat angles P-C4'-P energy: -31.738
tors. eta vs tors. theta energy: -58.434
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: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -583.532004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.532004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.532004 (E_RNA)
where:
Base-Base interactions energy: -386.104
where: short stacking energy: -175.673
Base-Backbone interact. energy: -0.776
local terms energy: -196.652433
where:
bonds (distance) C4'-P energy: -39.889
bonds (distance) P-C4' energy: -44.390
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -23.597
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: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -488.382060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.382060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.382060 (E_RNA)
where:
Base-Base interactions energy: -309.538
where: short stacking energy: -141.644
Base-Backbone interact. energy: -0.308
local terms energy: -178.536336
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -32.992
flat angles C4'-P-C4' energy: -45.548
flat angles P-C4'-P energy: -28.459
tors. eta vs tors. theta energy: -37.975
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: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -444.550126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.550126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.550126 (E_RNA)
where:
Base-Base interactions energy: -275.635
where: short stacking energy: -146.518
Base-Backbone interact. energy: -0.166
local terms energy: -168.749464
where:
bonds (distance) C4'-P energy: -38.152
bonds (distance) P-C4' energy: -44.454
flat angles C4'-P-C4' energy: -31.530
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -32.621
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: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -431.440409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.440409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.440409 (E_RNA)
where:
Base-Base interactions energy: -302.581
where: short stacking energy: -116.395
Base-Backbone interact. energy: 0.524
local terms energy: -129.382938
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -35.895
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -422.458823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.458823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.458823 (E_RNA)
where:
Base-Base interactions energy: -275.286
where: short stacking energy: -117.877
Base-Backbone interact. energy: -0.281
local terms energy: -146.891627
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -31.124
flat angles C4'-P-C4' energy: -41.055
flat angles P-C4'-P energy: -22.774
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: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -257.479204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.479204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.479204 (E_RNA)
where:
Base-Base interactions energy: -143.163
where: short stacking energy: -72.729
Base-Backbone interact. energy: -0.861
local terms energy: -113.455151
where:
bonds (distance) C4'-P energy: -26.188
bonds (distance) P-C4' energy: -31.509
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -23.319
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -231.268105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.268105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.268105 (E_RNA)
where:
Base-Base interactions energy: -143.568
where: short stacking energy: -79.853
Base-Backbone interact. energy: 0.833
local terms energy: -88.533728
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -7.093
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: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -673.825294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.825294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.825294 (E_RNA)
where:
Base-Base interactions energy: -472.500
where: short stacking energy: -200.102
Base-Backbone interact. energy: -0.646
local terms energy: -200.679439
where:
bonds (distance) C4'-P energy: -37.213
bonds (distance) P-C4' energy: -44.122
flat angles C4'-P-C4' energy: -35.996
flat angles P-C4'-P energy: -29.414
tors. eta vs tors. theta energy: -53.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -648.521772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.521772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.521772 (E_RNA)
where:
Base-Base interactions energy: -448.999
where: short stacking energy: -199.203
Base-Backbone interact. energy: -0.018
local terms energy: -199.505051
where:
bonds (distance) C4'-P energy: -32.607
bonds (distance) P-C4' energy: -40.685
flat angles C4'-P-C4' energy: -41.004
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -60.455
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: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -592.966255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.966255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.966255 (E_RNA)
where:
Base-Base interactions energy: -405.934
where: short stacking energy: -188.266
Base-Backbone interact. energy: -0.147
local terms energy: -186.885232
where:
bonds (distance) C4'-P energy: -30.098
bonds (distance) P-C4' energy: -32.382
flat angles C4'-P-C4' energy: -37.592
flat angles P-C4'-P energy: -33.494
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: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -569.825819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.825819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.825819 (E_RNA)
where:
Base-Base interactions energy: -380.547
where: short stacking energy: -167.637
Base-Backbone interact. energy: -0.536
local terms energy: -188.742902
where:
bonds (distance) C4'-P energy: -36.196
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -39.271
flat angles P-C4'-P energy: -31.647
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: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -474.823733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.823733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.823733 (E_RNA)
where:
Base-Base interactions energy: -321.813
where: short stacking energy: -141.199
Base-Backbone interact. energy: -1.349
local terms energy: -151.661387
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -35.145
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -26.092
tors. eta vs tors. theta energy: -30.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -411.422552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.422552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.422552 (E_RNA)
where:
Base-Base interactions energy: -246.948
where: short stacking energy: -134.524
Base-Backbone interact. energy: 1.560
local terms energy: -166.034553
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -41.670
flat angles C4'-P-C4' energy: -33.004
flat angles P-C4'-P energy: -27.655
tors. eta vs tors. theta energy: -31.561
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: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -412.286508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.286508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.286508 (E_RNA)
where:
Base-Base interactions energy: -270.133
where: short stacking energy: -111.120
Base-Backbone interact. energy: -0.776
local terms energy: -141.377765
where:
bonds (distance) C4'-P energy: -30.191
bonds (distance) P-C4' energy: -37.532
flat angles C4'-P-C4' energy: -34.015
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -432.313994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.313994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.313994 (E_RNA)
where:
Base-Base interactions energy: -279.276
where: short stacking energy: -118.349
Base-Backbone interact. energy: 0.227
local terms energy: -153.264836
where:
bonds (distance) C4'-P energy: -32.494
bonds (distance) P-C4' energy: -31.179
flat angles C4'-P-C4' energy: -30.143
flat angles P-C4'-P energy: -29.034
tors. eta vs tors. theta energy: -30.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -279.606812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.606812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.606812 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -78.219
Base-Backbone interact. energy: -1.699
local terms energy: -137.822199
where:
bonds (distance) C4'-P energy: -33.358
bonds (distance) P-C4' energy: -41.262
flat angles C4'-P-C4' energy: -33.230
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -274.345046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.345046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.345046 (E_RNA)
where:
Base-Base interactions energy: -145.138
where: short stacking energy: -80.412
Base-Backbone interact. energy: 0.762
local terms energy: -129.968783
where:
bonds (distance) C4'-P energy: -34.452
bonds (distance) P-C4' energy: -37.655
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -668.857735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.857735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.857735 (E_RNA)
where:
Base-Base interactions energy: -465.062
where: short stacking energy: -197.613
Base-Backbone interact. energy: -0.323
local terms energy: -203.472503
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -43.554
flat angles C4'-P-C4' energy: -41.501
flat angles P-C4'-P energy: -29.954
tors. eta vs tors. theta energy: -54.237
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: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -650.020168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.020168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.020168 (E_RNA)
where:
Base-Base interactions energy: -445.764
where: short stacking energy: -193.936
Base-Backbone interact. energy: -0.209
local terms energy: -204.047460
where:
bonds (distance) C4'-P energy: -34.773
bonds (distance) P-C4' energy: -38.651
flat angles C4'-P-C4' energy: -43.447
flat angles P-C4'-P energy: -26.667
tors. eta vs tors. theta energy: -60.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -588.679570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.679570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.679570 (E_RNA)
where:
Base-Base interactions energy: -387.577
where: short stacking energy: -183.317
Base-Backbone interact. energy: 0.777
local terms energy: -201.879341
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -44.120
flat angles P-C4'-P energy: -33.978
tors. eta vs tors. theta energy: -55.441
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: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -573.724903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.724903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.724903 (E_RNA)
where:
Base-Base interactions energy: -389.584
where: short stacking energy: -168.715
Base-Backbone interact. energy: 0.292
local terms energy: -184.433046
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -36.960
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -53.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -507.442326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.442326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.442326 (E_RNA)
where:
Base-Base interactions energy: -330.049
where: short stacking energy: -154.699
Base-Backbone interact. energy: -0.722
local terms energy: -176.670883
where:
bonds (distance) C4'-P energy: -28.790
bonds (distance) P-C4' energy: -34.299
flat angles C4'-P-C4' energy: -44.291
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -42.126
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: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -398.600126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.600126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.600126 (E_RNA)
where:
Base-Base interactions energy: -229.542
where: short stacking energy: -119.343
Base-Backbone interact. energy: -0.165
local terms energy: -168.892897
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -37.750
flat angles C4'-P-C4' energy: -37.795
flat angles P-C4'-P energy: -20.527
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: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -431.288053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.288053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.288053 (E_RNA)
where:
Base-Base interactions energy: -271.216
where: short stacking energy: -127.512
Base-Backbone interact. energy: -0.639
local terms energy: -159.433093
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -43.639
flat angles P-C4'-P energy: -29.415
tors. eta vs tors. theta energy: -26.417
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: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -406.830064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.830064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.830064 (E_RNA)
where:
Base-Base interactions energy: -256.876
where: short stacking energy: -102.891
Base-Backbone interact. energy: 2.668
local terms energy: -152.622099
where:
bonds (distance) C4'-P energy: -35.659
bonds (distance) P-C4' energy: -33.573
flat angles C4'-P-C4' energy: -34.961
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -16.086
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: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -259.995898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.995898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.995898 (E_RNA)
where:
Base-Base interactions energy: -141.691
where: short stacking energy: -78.071
Base-Backbone interact. energy: -0.580
local terms energy: -117.725546
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -28.325
flat angles C4'-P-C4' energy: -25.662
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -17.775
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: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -266.020336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.020336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.020336 (E_RNA)
where:
Base-Base interactions energy: -149.614
where: short stacking energy: -84.808
Base-Backbone interact. energy: 0.491
local terms energy: -116.896868
where:
bonds (distance) C4'-P energy: -28.416
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -34.019
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -1.824
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: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -658.372445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.372445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.372445 (E_RNA)
where:
Base-Base interactions energy: -452.587
where: short stacking energy: -195.183
Base-Backbone interact. energy: -0.765
local terms energy: -205.020412
where:
bonds (distance) C4'-P energy: -36.112
bonds (distance) P-C4' energy: -42.898
flat angles C4'-P-C4' energy: -46.989
flat angles P-C4'-P energy: -29.886
tors. eta vs tors. theta energy: -49.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -653.096814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.096814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.096814 (E_RNA)
where:
Base-Base interactions energy: -443.018
where: short stacking energy: -199.646
Base-Backbone interact. energy: -0.376
local terms energy: -209.702727
where:
bonds (distance) C4'-P energy: -38.158
bonds (distance) P-C4' energy: -37.927
flat angles C4'-P-C4' energy: -43.875
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: -61.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -607.132467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.132467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.132467 (E_RNA)
where:
Base-Base interactions energy: -414.326
where: short stacking energy: -174.175
Base-Backbone interact. energy: -0.163
local terms energy: -192.643932
where:
bonds (distance) C4'-P energy: -38.508
bonds (distance) P-C4' energy: -39.412
flat angles C4'-P-C4' energy: -39.626
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: -52.777
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: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -590.398868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.398868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.398868 (E_RNA)
where:
Base-Base interactions energy: -382.359
where: short stacking energy: -178.201
Base-Backbone interact. energy: -0.036
local terms energy: -208.003711
where:
bonds (distance) C4'-P energy: -42.624
bonds (distance) P-C4' energy: -34.872
flat angles C4'-P-C4' energy: -44.245
flat angles P-C4'-P energy: -30.331
tors. eta vs tors. theta energy: -55.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -523.338218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.338218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.338218 (E_RNA)
where:
Base-Base interactions energy: -339.978
where: short stacking energy: -170.379
Base-Backbone interact. energy: -0.114
local terms energy: -183.246156
where:
bonds (distance) C4'-P energy: -37.932
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -39.713
flat angles P-C4'-P energy: -24.478
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: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -449.399991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.399991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.399991 (E_RNA)
where:
Base-Base interactions energy: -294.151
where: short stacking energy: -133.273
Base-Backbone interact. energy: -1.515
local terms energy: -153.734279
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -42.355
flat angles P-C4'-P energy: -25.759
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: 7, replica: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -349.865782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.865782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.865782 (E_RNA)
where:
Base-Base interactions energy: -202.942
where: short stacking energy: -108.799
Base-Backbone interact. energy: 0.688
local terms energy: -147.611561
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -38.764
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -16.363
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: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -431.740693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.740693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.740693 (E_RNA)
where:
Base-Base interactions energy: -271.115
where: short stacking energy: -116.037
Base-Backbone interact. energy: 0.508
local terms energy: -161.133327
where:
bonds (distance) C4'-P energy: -39.864
bonds (distance) P-C4' energy: -35.545
flat angles C4'-P-C4' energy: -39.490
flat angles P-C4'-P energy: -28.275
tors. eta vs tors. theta energy: -17.959
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: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -285.348259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.348259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.348259 (E_RNA)
where:
Base-Base interactions energy: -151.616
where: short stacking energy: -89.627
Base-Backbone interact. energy: -1.059
local terms energy: -132.672441
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -38.042
flat angles C4'-P-C4' energy: -27.034
flat angles P-C4'-P energy: -23.842
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -242.605120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.605120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.605120 (E_RNA)
where:
Base-Base interactions energy: -141.540
where: short stacking energy: -84.971
Base-Backbone interact. energy: -0.018
local terms energy: -101.047237
where:
bonds (distance) C4'-P energy: -28.421
bonds (distance) P-C4' energy: -37.252
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -6.630
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: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -661.023202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.023202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.023202 (E_RNA)
where:
Base-Base interactions energy: -447.292
where: short stacking energy: -191.701
Base-Backbone interact. energy: -0.894
local terms energy: -212.836788
where:
bonds (distance) C4'-P energy: -39.015
bonds (distance) P-C4' energy: -41.614
flat angles C4'-P-C4' energy: -45.677
flat angles P-C4'-P energy: -28.236
tors. eta vs tors. theta energy: -58.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -658.974609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.974609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.974609 (E_RNA)
where:
Base-Base interactions energy: -454.702
where: short stacking energy: -188.476
Base-Backbone interact. energy: -0.288
local terms energy: -203.985293
where:
bonds (distance) C4'-P energy: -44.640
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -45.539
flat angles P-C4'-P energy: -29.358
tors. eta vs tors. theta energy: -52.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -607.020037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.020037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.020037 (E_RNA)
where:
Base-Base interactions energy: -409.868
where: short stacking energy: -186.531
Base-Backbone interact. energy: -0.415
local terms energy: -196.737069
where:
bonds (distance) C4'-P energy: -41.476
bonds (distance) P-C4' energy: -35.399
flat angles C4'-P-C4' energy: -41.204
flat angles P-C4'-P energy: -22.726
tors. eta vs tors. theta energy: -55.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -566.086377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.086377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.086377 (E_RNA)
where:
Base-Base interactions energy: -383.188
where: short stacking energy: -172.802
Base-Backbone interact. energy: -0.138
local terms energy: -182.760682
where:
bonds (distance) C4'-P energy: -30.959
bonds (distance) P-C4' energy: -37.476
flat angles C4'-P-C4' energy: -38.678
flat angles P-C4'-P energy: -30.718
tors. eta vs tors. theta energy: -44.930
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: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -497.589616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.589616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.589616 (E_RNA)
where:
Base-Base interactions energy: -331.659
where: short stacking energy: -154.505
Base-Backbone interact. energy: 0.519
local terms energy: -166.449606
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -36.930
flat angles C4'-P-C4' energy: -42.389
flat angles P-C4'-P energy: -26.247
tors. eta vs tors. theta energy: -33.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -449.998280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.998280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.998280 (E_RNA)
where:
Base-Base interactions energy: -272.660
where: short stacking energy: -126.689
Base-Backbone interact. energy: -0.204
local terms energy: -177.134383
where:
bonds (distance) C4'-P energy: -38.393
bonds (distance) P-C4' energy: -41.385
flat angles C4'-P-C4' energy: -36.897
flat angles P-C4'-P energy: -28.073
tors. eta vs tors. theta energy: -32.386
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: 7, replica: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -457.586317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.586317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.586317 (E_RNA)
where:
Base-Base interactions energy: -302.105
where: short stacking energy: -138.720
Base-Backbone interact. energy: -0.511
local terms energy: -154.970351
where:
bonds (distance) C4'-P energy: -29.394
bonds (distance) P-C4' energy: -30.261
flat angles C4'-P-C4' energy: -38.441
flat angles P-C4'-P energy: -30.940
tors. eta vs tors. theta energy: -25.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -324.940059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.940059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.940059 (E_RNA)
where:
Base-Base interactions energy: -174.495
where: short stacking energy: -90.022
Base-Backbone interact. energy: -0.209
local terms energy: -150.236840
where:
bonds (distance) C4'-P energy: -35.185
bonds (distance) P-C4' energy: -35.883
flat angles C4'-P-C4' energy: -40.120
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -17.771
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: 476
Temperature: 1.300000
Total energy: -258.309907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.309907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.309907 (E_RNA)
where:
Base-Base interactions energy: -130.817
where: short stacking energy: -70.900
Base-Backbone interact. energy: -1.666
local terms energy: -125.826927
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -40.742
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -14.025
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: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -260.287086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.287086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.287086 (E_RNA)
where:
Base-Base interactions energy: -126.522
where: short stacking energy: -71.073
Base-Backbone interact. energy: -0.875
local terms energy: -132.890600
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -35.415
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -655.293897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.293897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.293897 (E_RNA)
where:
Base-Base interactions energy: -444.019
where: short stacking energy: -196.424
Base-Backbone interact. energy: -0.291
local terms energy: -210.983135
where:
bonds (distance) C4'-P energy: -37.883
bonds (distance) P-C4' energy: -39.805
flat angles C4'-P-C4' energy: -41.367
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -59.683
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: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -665.001522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.001522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.001522 (E_RNA)
where:
Base-Base interactions energy: -463.508
where: short stacking energy: -185.527
Base-Backbone interact. energy: -1.970
local terms energy: -199.523783
where:
bonds (distance) C4'-P energy: -43.076
bonds (distance) P-C4' energy: -41.083
flat angles C4'-P-C4' energy: -36.339
flat angles P-C4'-P energy: -30.729
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: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -607.484456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.484456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.484456 (E_RNA)
where:
Base-Base interactions energy: -419.901
where: short stacking energy: -183.027
Base-Backbone interact. energy: -1.040
local terms energy: -186.544218
where:
bonds (distance) C4'-P energy: -37.793
bonds (distance) P-C4' energy: -34.995
flat angles C4'-P-C4' energy: -34.256
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: -53.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -486.922428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.922428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.922428 (E_RNA)
where:
Base-Base interactions energy: -315.016
where: short stacking energy: -135.402
Base-Backbone interact. energy: -0.126
local terms energy: -171.780469
where:
bonds (distance) C4'-P energy: -37.825
bonds (distance) P-C4' energy: -41.394
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -33.863
tors. eta vs tors. theta energy: -29.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -554.371094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.371094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.371094 (E_RNA)
where:
Base-Base interactions energy: -374.076
where: short stacking energy: -170.980
Base-Backbone interact. energy: -0.301
local terms energy: -179.993863
where:
bonds (distance) C4'-P energy: -33.120
bonds (distance) P-C4' energy: -37.930
flat angles C4'-P-C4' energy: -40.780
flat angles P-C4'-P energy: -27.521
tors. eta vs tors. theta energy: -40.643
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: 477
Temperature: 1.150000
Total energy: -462.415047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.415047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.415047 (E_RNA)
where:
Base-Base interactions energy: -300.281
where: short stacking energy: -125.380
Base-Backbone interact. energy: 2.414
local terms energy: -164.548391
where:
bonds (distance) C4'-P energy: -34.851
bonds (distance) P-C4' energy: -39.181
flat angles C4'-P-C4' energy: -37.081
flat angles P-C4'-P energy: -26.089
tors. eta vs tors. theta energy: -27.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -392.622419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.622419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.622419 (E_RNA)
where:
Base-Base interactions energy: -251.988
where: short stacking energy: -101.517
Base-Backbone interact. energy: -0.657
local terms energy: -139.977308
where:
bonds (distance) C4'-P energy: -29.110
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -36.185
flat angles P-C4'-P energy: -25.312
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -334.092565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.092565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.092565 (E_RNA)
where:
Base-Base interactions energy: -204.167
where: short stacking energy: -97.177
Base-Backbone interact. energy: -0.538
local terms energy: -129.388267
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -37.947
flat angles C4'-P-C4' energy: -34.441
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -262.398718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.398718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.398718 (E_RNA)
where:
Base-Base interactions energy: -128.634
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.971
local terms energy: -132.793668
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -35.163
flat angles P-C4'-P energy: -20.576
tors. eta vs tors. theta energy: -6.193
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: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -244.065421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.065421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.065421 (E_RNA)
where:
Base-Base interactions energy: -124.664
where: short stacking energy: -65.965
Base-Backbone interact. energy: -0.640
local terms energy: -118.761311
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -40.372
flat angles P-C4'-P energy: -28.128
tors. eta vs tors. theta energy: -7.589
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)
out arg RESULTS//1/2MIY-07c955fa_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -666.057010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.057010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.057010 (E_RNA)
where:
Base-Base interactions energy: -469.656
where: short stacking energy: -190.166
Base-Backbone interact. energy: -1.800
local terms energy: -194.600827
where:
bonds (distance) C4'-P energy: -32.086
bonds (distance) P-C4' energy: -38.898
flat angles C4'-P-C4' energy: -43.587
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -52.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -628.859703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.859703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.859703 (E_RNA)
where:
Base-Base interactions energy: -424.061
where: short stacking energy: -183.228
Base-Backbone interact. energy: -0.363
local terms energy: -204.435285
where:
bonds (distance) C4'-P energy: -33.884
bonds (distance) P-C4' energy: -40.564
flat angles C4'-P-C4' energy: -42.126
flat angles P-C4'-P energy: -34.077
tors. eta vs tors. theta energy: -53.785
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: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -595.159837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.159837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.159837 (E_RNA)
where:
Base-Base interactions energy: -404.908
where: short stacking energy: -168.358
Base-Backbone interact. energy: 0.083
local terms energy: -190.335339
where:
bonds (distance) C4'-P energy: -34.116
bonds (distance) P-C4' energy: -41.665
flat angles C4'-P-C4' energy: -39.009
flat angles P-C4'-P energy: -24.559
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: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -478.121544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.121544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.121544 (E_RNA)
where:
Base-Base interactions energy: -311.795
where: short stacking energy: -142.285
Base-Backbone interact. energy: 0.815
local terms energy: -167.140927
where:
bonds (distance) C4'-P energy: -39.839
bonds (distance) P-C4' energy: -35.777
flat angles C4'-P-C4' energy: -37.196
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -32.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -563.847496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.847496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.847496 (E_RNA)
where:
Base-Base interactions energy: -375.316
where: short stacking energy: -161.590
Base-Backbone interact. energy: -0.595
local terms energy: -187.936629
where:
bonds (distance) C4'-P energy: -37.163
bonds (distance) P-C4' energy: -39.572
flat angles C4'-P-C4' energy: -34.104
flat angles P-C4'-P energy: -31.101
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: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -474.543029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.543029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.543029 (E_RNA)
where:
Base-Base interactions energy: -316.350
where: short stacking energy: -148.861
Base-Backbone interact. energy: -0.579
local terms energy: -157.614205
where:
bonds (distance) C4'-P energy: -32.308
bonds (distance) P-C4' energy: -31.754
flat angles C4'-P-C4' energy: -36.038
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -34.817
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: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -437.722100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.722100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.722100 (E_RNA)
where:
Base-Base interactions energy: -283.670
where: short stacking energy: -139.560
Base-Backbone interact. energy: -0.441
local terms energy: -153.610676
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -34.151
flat angles C4'-P-C4' energy: -38.476
flat angles P-C4'-P energy: -22.804
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -359.929885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.929885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.929885 (E_RNA)
where:
Base-Base interactions energy: -211.427
where: short stacking energy: -108.643
Base-Backbone interact. energy: 1.235
local terms energy: -149.738476
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -38.686
flat angles C4'-P-C4' energy: -38.787
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -25.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -280.577000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.577000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.577000 (E_RNA)
where:
Base-Base interactions energy: -157.935
where: short stacking energy: -77.002
Base-Backbone interact. energy: -0.149
local terms energy: -122.492880
where:
bonds (distance) C4'-P energy: -40.036
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -293.568621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.568621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.568621 (E_RNA)
where:
Base-Base interactions energy: -167.313
where: short stacking energy: -85.522
Base-Backbone interact. energy: -0.585
local terms energy: -125.670117
where:
bonds (distance) C4'-P energy: -26.225
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -30.462
flat angles P-C4'-P energy: -22.972
tors. eta vs tors. theta energy: -12.270
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -661.209206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.209206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.209206 (E_RNA)
where:
Base-Base interactions energy: -461.747
where: short stacking energy: -190.782
Base-Backbone interact. energy: -1.236
local terms energy: -198.225616
where:
bonds (distance) C4'-P energy: -32.494
bonds (distance) P-C4' energy: -43.966
flat angles C4'-P-C4' energy: -44.870
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -54.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -637.499294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.499294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.499294 (E_RNA)
where:
Base-Base interactions energy: -438.650
where: short stacking energy: -204.381
Base-Backbone interact. energy: -0.345
local terms energy: -198.504315
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -39.655
flat angles P-C4'-P energy: -25.131
tors. eta vs tors. theta energy: -62.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -601.904073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.904073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.904073 (E_RNA)
where:
Base-Base interactions energy: -410.458
where: short stacking energy: -177.711
Base-Backbone interact. energy: 1.073
local terms energy: -192.518872
where:
bonds (distance) C4'-P energy: -37.801
bonds (distance) P-C4' energy: -31.404
flat angles C4'-P-C4' energy: -40.854
flat angles P-C4'-P energy: -34.611
tors. eta vs tors. theta energy: -47.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -575.445532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.445532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.445532 (E_RNA)
where:
Base-Base interactions energy: -393.428
where: short stacking energy: -173.665
Base-Backbone interact. energy: 0.445
local terms energy: -182.462862
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -36.179
flat angles C4'-P-C4' energy: -33.219
flat angles P-C4'-P energy: -30.880
tors. eta vs tors. theta energy: -49.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -480.040372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.040372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.040372 (E_RNA)
where:
Base-Base interactions energy: -308.102
where: short stacking energy: -144.711
Base-Backbone interact. energy: -0.354
local terms energy: -171.584965
where:
bonds (distance) C4'-P energy: -35.401
bonds (distance) P-C4' energy: -34.712
flat angles C4'-P-C4' energy: -40.015
flat angles P-C4'-P energy: -28.718
tors. eta vs tors. theta energy: -32.740
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: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -475.337275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.337275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.337275 (E_RNA)
where:
Base-Base interactions energy: -316.430
where: short stacking energy: -144.967
Base-Backbone interact. energy: -0.429
local terms energy: -158.478930
where:
bonds (distance) C4'-P energy: -39.220
bonds (distance) P-C4' energy: -33.625
flat angles C4'-P-C4' energy: -38.389
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -420.784792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.784792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.784792 (E_RNA)
where:
Base-Base interactions energy: -273.930
where: short stacking energy: -120.053
Base-Backbone interact. energy: 1.374
local terms energy: -148.229121
where:
bonds (distance) C4'-P energy: -40.032
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -40.194
flat angles P-C4'-P energy: -27.137
tors. eta vs tors. theta energy: -23.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -298.021408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.021408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.021408 (E_RNA)
where:
Base-Base interactions energy: -145.540
where: short stacking energy: -90.453
Base-Backbone interact. energy: -2.109
local terms energy: -150.372384
where:
bonds (distance) C4'-P energy: -36.111
bonds (distance) P-C4' energy: -36.284
flat angles C4'-P-C4' energy: -40.592
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -14.097
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: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -337.030527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.030527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.030527 (E_RNA)
where:
Base-Base interactions energy: -219.168
where: short stacking energy: -85.255
Base-Backbone interact. energy: -1.784
local terms energy: -116.078231
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -250.259164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.259164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.259164 (E_RNA)
where:
Base-Base interactions energy: -139.983
where: short stacking energy: -69.953
Base-Backbone interact. energy: -0.542
local terms energy: -109.733498
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -30.510
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: 2.451
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)